data_19108 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19108 _Entry.PDB_ID 2M65 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 19108 _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 GLU HA H 2 4.374 4.374 4.431 -0.057 19108 2 1 1 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.131 0.217 19108 3 1 1 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.299 0.154 19108 4 1 1 . 1 1 3 3 ALA N N 3 125.932 125.932 127.806 -1.874 19108 5 1 1 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.439 -0.089 19108 6 1 1 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.078 0.329 19108 7 1 1 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.727 -0.147 19108 8 1 1 . 1 1 3 3 ALA H H 3 8.526 8.526 8.326 0.200 19108 9 1 1 . 1 1 4 4 SER N N 4 116.729 116.729 115.479 1.250 19108 10 1 1 . 1 1 4 4 SER HA H 4 4.766 4.766 4.681 0.085 19108 11 1 1 . 1 1 4 4 SER CA C 4 56.283 56.283 56.954 -0.671 19108 12 1 1 . 1 1 4 4 SER CB C 4 63.278 63.278 63.139 0.140 19108 13 1 1 . 1 1 4 4 SER H H 4 8.397 8.397 8.236 0.161 19108 14 1 1 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.375 0.071 19108 15 1 1 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.938 0.368 19108 16 1 1 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.360 -0.263 19108 17 1 1 . 1 1 6 6 ALA N N 6 124.236 124.236 125.032 -0.796 19108 18 1 1 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.425 -0.092 19108 19 1 1 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.002 0.561 19108 20 1 1 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.056 0.278 19108 21 1 1 . 1 1 6 6 ALA H H 6 8.411 8.411 8.086 0.325 19108 22 1 1 . 1 1 7 7 SER N N 7 114.497 114.497 115.766 -1.269 19108 23 1 1 . 1 1 7 7 SER HA H 7 4.475 4.475 4.568 -0.093 19108 24 1 1 . 1 1 7 7 SER CA C 7 58.258 58.258 58.034 0.224 19108 25 1 1 . 1 1 7 7 SER CB C 7 64.174 64.174 62.577 1.597 19108 26 1 1 . 1 1 7 7 SER H H 7 8.195 8.195 7.730 0.465 19108 27 1 1 . 1 1 8 8 GLY N N 8 110.497 110.497 114.180 -3.683 19108 28 1 1 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.633 0.213 19108 29 1 1 . 1 1 8 8 GLY H H 8 8.226 8.226 8.047 0.179 19108 30 1 1 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.564 -0.115 19108 31 1 1 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.580 0.854 19108 32 1 1 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.651 -0.458 19108 33 1 1 . 1 1 10 10 ARG N N 10 120.534 120.534 120.148 0.386 19108 34 1 1 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.537 -0.196 19108 35 1 1 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.328 0.688 19108 36 1 1 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.178 0.631 19108 37 1 1 . 1 1 10 10 ARG H H 10 8.469 8.469 8.491 -0.022 19108 38 1 1 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.600 0.225 19108 39 1 1 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.060 0.401 19108 40 1 1 . 1 1 11 11 HIS CB C 11 30.191 30.191 28.300 1.891 19108 41 1 1 . 1 1 12 12 LEU N N 12 122.284 122.284 121.202 1.082 19108 42 1 1 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.486 0.123 19108 43 1 1 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.224 1.806 19108 44 1 1 . 1 1 12 12 LEU H H 12 8.250 8.250 7.709 0.541 19108 45 1 1 . 1 1 13 13 MET N N 13 121.493 121.493 118.711 2.782 19108 46 1 1 . 1 1 13 13 MET HA H 13 4.038 4.038 4.238 -0.200 19108 47 1 1 . 1 1 13 13 MET CA C 13 54.449 54.449 56.408 -1.959 19108 48 1 1 . 1 1 13 13 MET CB C 13 35.015 35.015 33.348 1.667 19108 49 1 1 . 1 1 13 13 MET H H 13 8.955 8.955 7.671 1.284 19108 50 1 1 . 1 1 14 14 ASP N N 14 127.113 127.113 119.113 8.000 19108 51 1 1 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.333 -1.233 19108 52 1 1 . 1 1 14 14 ASP CA C 14 52.456 52.456 51.356 1.100 19108 53 1 1 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.685 1.825 19108 54 1 1 . 1 1 14 14 ASP H H 14 8.514 8.514 8.468 0.046 19108 55 1 1 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.212 -0.359 19108 56 1 1 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.561 0.093 19108 57 1 1 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.919 -0.268 19108 58 1 1 . 1 1 16 16 HIS N N 16 115.776 115.776 117.127 -1.351 19108 59 1 1 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.435 -0.157 19108 60 1 1 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.292 -0.374 19108 61 1 1 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.432 -0.224 19108 62 1 1 . 1 1 16 16 HIS H H 16 8.591 8.591 8.753 -0.162 19108 63 1 1 . 1 1 17 17 ILE N N 17 122.675 122.675 119.111 3.564 19108 64 1 1 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.001 0.483 19108 65 1 1 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.087 -0.861 19108 66 1 1 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.547 -0.450 19108 67 1 1 . 1 1 17 17 ILE H H 17 7.558 7.558 7.514 0.044 19108 68 1 1 . 1 1 18 18 PHE N N 18 120.513 120.513 119.710 0.803 19108 69 1 1 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.194 -0.191 19108 70 1 1 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.454 1.350 19108 71 1 1 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.296 0.344 19108 72 1 1 . 1 1 18 18 PHE H H 18 7.831 7.831 8.145 -0.314 19108 73 1 1 . 1 1 19 19 THR N N 19 114.555 114.555 111.168 3.387 19108 74 1 1 . 1 1 19 19 THR HA H 19 3.657 3.657 3.999 -0.342 19108 75 1 1 . 1 1 19 19 THR CA C 19 66.485 66.485 65.456 1.029 19108 76 1 1 . 1 1 19 19 THR CB C 19 68.345 68.345 68.822 -0.477 19108 77 1 1 . 1 1 19 19 THR H H 19 9.036 9.036 8.264 0.772 19108 78 1 1 . 1 1 20 20 SER N N 20 113.030 113.030 117.783 -4.753 19108 79 1 1 . 1 1 20 20 SER HA H 20 4.062 4.062 4.331 -0.269 19108 80 1 1 . 1 1 20 20 SER CA C 20 60.610 60.610 60.230 0.380 19108 81 1 1 . 1 1 20 20 SER CB C 20 63.843 63.843 64.003 -0.160 19108 82 1 1 . 1 1 20 20 SER H H 20 7.809 7.809 7.839 -0.030 19108 83 1 1 . 1 1 21 21 ASN N N 21 115.629 115.629 117.720 -2.091 19108 84 1 1 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.025 0.386 19108 85 1 1 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.179 2.810 19108 86 1 1 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.452 4.128 19108 87 1 1 . 1 1 21 21 ASN H H 21 7.362 7.362 7.589 -0.227 19108 88 1 1 . 1 1 22 22 PHE N N 22 117.773 117.773 115.908 1.865 19108 89 1 1 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.563 -0.290 19108 90 1 1 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.816 -0.356 19108 91 1 1 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.562 -1.732 19108 92 1 1 . 1 1 22 22 PHE H H 22 8.296 8.296 7.364 0.932 19108 93 1 1 . 1 1 23 23 ASN N N 23 115.026 115.026 118.754 -3.728 19108 94 1 1 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.356 0.173 19108 95 1 1 . 1 1 23 23 ASN CA C 23 53.642 53.642 54.129 -0.487 19108 96 1 1 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.806 -2.183 19108 97 1 1 . 1 1 23 23 ASN H H 23 6.097 6.097 7.564 -1.467 19108 98 1 1 . 1 1 24 24 ASN N N 24 122.900 122.900 114.250 8.650 19108 99 1 1 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.320 0.113 19108 100 1 1 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.235 -0.962 19108 101 1 1 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.571 -0.679 19108 102 1 1 . 1 1 24 24 ASN H H 24 7.083 7.083 7.563 -0.480 19108 103 1 1 . 1 1 25 25 GLY N N 25 105.587 105.587 105.153 0.434 19108 104 1 1 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.898 -1.033 19108 105 1 1 . 1 1 25 25 GLY H H 25 8.520 8.520 8.381 0.139 19108 106 1 1 . 1 1 26 26 ILE N N 26 120.182 120.182 116.217 3.965 19108 107 1 1 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.187 -0.013 19108 108 1 1 . 1 1 26 26 ILE CA C 26 60.443 60.443 60.739 -0.296 19108 109 1 1 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.491 2.024 19108 110 1 1 . 1 1 26 26 ILE H H 26 6.944 6.944 7.587 -0.643 19108 111 1 1 . 1 1 27 27 GLY N N 27 111.665 111.665 106.345 5.320 19108 112 1 1 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.905 0.414 19108 113 1 1 . 1 1 27 27 GLY H H 27 8.457 8.457 8.279 0.178 19108 114 1 1 . 1 1 28 28 ARG N N 28 117.565 117.565 120.266 -2.701 19108 115 1 1 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.895 -2.330 19108 116 1 1 . 1 1 28 28 ARG H H 28 6.741 6.741 7.814 -1.073 19108 117 1 1 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.218 1.785 19108 118 1 1 . 1 1 29 29 HIS CB C 29 29.044 29.044 32.109 -3.065 19108 119 1 1 . 1 1 29 29 HIS H H 29 8.636 8.636 8.201 0.435 19108 120 1 1 . 1 1 30 30 LYS N N 30 119.344 119.344 121.409 -2.065 19108 121 1 1 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.225 0.196 19108 122 1 1 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.492 1.372 19108 123 1 1 . 1 1 30 30 LYS CB C 30 35.191 35.191 34.265 0.926 19108 124 1 1 . 1 1 30 30 LYS H H 30 7.870 7.870 7.996 -0.126 19108 125 1 1 . 1 1 31 31 THR N N 31 118.233 118.233 114.737 3.496 19108 126 1 1 . 1 1 31 31 THR HA H 31 4.125 4.125 3.585 0.540 19108 127 1 1 . 1 1 31 31 THR CA C 31 63.175 63.175 62.625 0.550 19108 128 1 1 . 1 1 31 31 THR H H 31 8.436 8.436 7.725 0.711 19108 129 1 1 . 1 1 32 32 TYR N N 32 124.026 124.026 125.812 -1.786 19108 130 1 1 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.677 0.259 19108 131 1 1 . 1 1 32 32 TYR CA C 32 57.501 57.501 58.021 -0.520 19108 132 1 1 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.848 2.556 19108 133 1 1 . 1 1 32 32 TYR H H 32 8.244 8.244 8.756 -0.512 19108 134 1 1 . 1 1 33 33 LEU N N 33 125.428 125.428 125.640 -0.212 19108 135 1 1 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.124 -0.045 19108 136 1 1 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.302 1.536 19108 137 1 1 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.373 1.611 19108 138 1 1 . 1 1 33 33 LEU H H 33 9.232 9.232 8.950 0.282 19108 139 1 1 . 1 1 34 34 CYS N N 34 125.975 125.975 126.710 -0.735 19108 140 1 1 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.946 0.060 19108 141 1 1 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.194 1.951 19108 142 1 1 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.182 2.120 19108 143 1 1 . 1 1 34 34 CYS H H 34 9.640 9.640 9.094 0.546 19108 144 1 1 . 1 1 35 35 TYR N N 35 121.183 121.183 122.750 -1.567 19108 145 1 1 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.636 0.852 19108 146 1 1 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.051 -0.269 19108 147 1 1 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.746 2.344 19108 148 1 1 . 1 1 35 35 TYR H H 35 9.094 9.094 8.646 0.448 19108 149 1 1 . 1 1 36 36 GLU N N 36 115.538 115.538 121.829 -6.291 19108 150 1 1 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.961 0.474 19108 151 1 1 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.083 0.308 19108 152 1 1 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.751 -0.207 19108 153 1 1 . 1 1 36 36 GLU H H 36 8.977 8.977 8.631 0.346 19108 154 1 1 . 1 1 37 37 VAL N N 37 121.600 121.600 124.590 -2.990 19108 155 1 1 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.666 0.493 19108 156 1 1 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.326 -0.278 19108 157 1 1 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.869 1.201 19108 158 1 1 . 1 1 37 37 VAL H H 37 9.271 9.271 8.936 0.335 19108 159 1 1 . 1 1 38 38 GLU N N 38 125.227 125.227 126.193 -0.966 19108 160 1 1 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.213 0.005 19108 161 1 1 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.515 -0.263 19108 162 1 1 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.808 1.119 19108 163 1 1 . 1 1 38 38 GLU H H 38 9.114 9.114 8.542 0.572 19108 164 1 1 . 1 1 39 39 ARG N N 39 124.872 124.872 121.953 2.919 19108 165 1 1 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.309 1.056 19108 166 1 1 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.652 0.595 19108 167 1 1 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.255 0.310 19108 168 1 1 . 1 1 39 39 ARG H H 39 9.215 9.215 8.414 0.801 19108 169 1 1 . 1 1 40 40 LEU N N 40 126.510 126.510 123.909 2.601 19108 170 1 1 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.458 0.295 19108 171 1 1 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.655 -0.332 19108 172 1 1 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.485 -2.642 19108 173 1 1 . 1 1 40 40 LEU H H 40 8.659 8.659 7.854 0.805 19108 174 1 1 . 1 1 41 41 ASP N N 41 124.410 124.410 125.320 -0.910 19108 175 1 1 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.808 -0.015 19108 176 1 1 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.323 -0.105 19108 177 1 1 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.694 -0.961 19108 178 1 1 . 1 1 41 41 ASP H H 41 8.575 8.575 8.369 0.206 19108 179 1 1 . 1 1 42 42 ASN N N 42 123.319 123.319 123.194 0.125 19108 180 1 1 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.406 0.014 19108 181 1 1 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.568 0.605 19108 182 1 1 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.391 0.457 19108 183 1 1 . 1 1 42 42 ASN H H 42 9.048 9.048 8.877 0.171 19108 184 1 1 . 1 1 43 43 GLY N N 43 106.044 106.044 103.272 2.772 19108 185 1 1 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.561 -0.167 19108 186 1 1 . 1 1 43 43 GLY H H 43 8.548 8.548 8.322 0.226 19108 187 1 1 . 1 1 44 44 THR N N 44 115.893 115.893 121.545 -5.652 19108 188 1 1 . 1 1 44 44 THR HA H 44 4.524 4.524 4.225 0.299 19108 189 1 1 . 1 1 44 44 THR CA C 44 61.285 61.285 63.006 -1.721 19108 190 1 1 . 1 1 44 44 THR CB C 44 70.572 70.572 68.997 1.575 19108 191 1 1 . 1 1 44 44 THR H H 44 7.833 7.833 7.733 0.100 19108 192 1 1 . 1 1 45 45 SER N N 45 119.589 119.589 123.364 -3.775 19108 193 1 1 . 1 1 45 45 SER HA H 45 4.804 4.804 5.035 -0.231 19108 194 1 1 . 1 1 45 45 SER CA C 45 58.080 58.080 57.381 0.699 19108 195 1 1 . 1 1 45 45 SER CB C 45 64.265 64.265 64.114 0.151 19108 196 1 1 . 1 1 45 45 SER H H 45 8.590 8.590 8.498 0.092 19108 197 1 1 . 1 1 46 46 VAL N N 46 125.827 125.827 125.790 0.037 19108 198 1 1 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.360 -0.067 19108 199 1 1 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.930 0.913 19108 200 1 1 . 1 1 46 46 VAL CB C 46 33.517 33.517 35.062 -1.545 19108 201 1 1 . 1 1 46 46 VAL H H 46 9.034 9.034 8.265 0.769 19108 202 1 1 . 1 1 47 47 LYS N N 47 126.528 126.528 125.717 0.811 19108 203 1 1 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.606 -0.322 19108 204 1 1 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.493 2.172 19108 205 1 1 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.624 -0.832 19108 206 1 1 . 1 1 47 47 LYS H H 47 8.738 8.738 8.323 0.415 19108 207 1 1 . 1 1 48 48 MET N N 48 122.645 122.645 120.601 2.044 19108 208 1 1 . 1 1 48 48 MET HA H 48 5.195 5.195 4.723 0.472 19108 209 1 1 . 1 1 48 48 MET CA C 48 54.747 54.747 55.253 -0.506 19108 210 1 1 . 1 1 48 48 MET CB C 48 32.379 32.379 34.488 -2.109 19108 211 1 1 . 1 1 48 48 MET H H 48 8.334 8.334 8.258 0.076 19108 212 1 1 . 1 1 49 49 ASP N N 49 123.713 123.713 121.080 2.633 19108 213 1 1 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.566 -0.142 19108 214 1 1 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.734 -0.124 19108 215 1 1 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.310 -0.276 19108 216 1 1 . 1 1 49 49 ASP H H 49 8.575 8.575 8.616 -0.041 19108 217 1 1 . 1 1 50 50 GLN N N 50 117.540 117.540 118.510 -0.970 19108 218 1 1 . 1 1 50 50 GLN H H 50 9.110 9.110 8.464 0.646 19108 219 1 1 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.722 0.429 19108 220 1 1 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.438 -1.605 19108 221 1 1 . 1 1 51 51 HIS H H 51 8.031 8.031 8.260 -0.229 19108 222 1 1 . 1 1 52 52 ARG N N 52 117.888 117.888 120.205 -2.317 19108 223 1 1 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.533 0.704 19108 224 1 1 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.032 0.023 19108 225 1 1 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.373 0.681 19108 226 1 1 . 1 1 52 52 ARG H H 52 7.685 7.685 7.511 0.174 19108 227 1 1 . 1 1 53 53 GLY N N 53 108.573 108.573 105.528 3.045 19108 228 1 1 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.193 0.515 19108 229 1 1 . 1 1 53 53 GLY H H 53 7.529 7.529 7.330 0.199 19108 230 1 1 . 1 1 54 54 PHE N N 54 113.146 113.146 115.811 -2.665 19108 231 1 1 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.785 0.210 19108 232 1 1 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.205 0.651 19108 233 1 1 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.048 2.315 19108 234 1 1 . 1 1 54 54 PHE H H 54 8.287 8.287 7.822 0.465 19108 235 1 1 . 1 1 55 55 LEU N N 55 119.389 119.389 121.038 -1.649 19108 236 1 1 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.511 0.183 19108 237 1 1 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.463 0.249 19108 238 1 1 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.828 -0.200 19108 239 1 1 . 1 1 55 55 LEU H H 55 9.452 9.452 8.980 0.472 19108 240 1 1 . 1 1 56 56 HIS N N 56 114.176 114.176 114.768 -0.592 19108 241 1 1 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.230 0.209 19108 242 1 1 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.572 0.893 19108 243 1 1 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.846 -0.379 19108 244 1 1 . 1 1 56 56 HIS H H 56 7.709 7.709 8.083 -0.374 19108 245 1 1 . 1 1 57 57 ASN N N 57 116.522 116.522 119.137 -2.615 19108 246 1 1 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.419 -0.004 19108 247 1 1 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.686 0.498 19108 248 1 1 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.648 0.014 19108 249 1 1 . 1 1 57 57 ASN H H 57 8.684 8.684 8.051 0.633 19108 250 1 1 . 1 1 58 58 GLN N N 58 122.850 122.850 116.117 6.733 19108 251 1 1 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.772 0.617 19108 252 1 1 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.402 -1.549 19108 253 1 1 . 1 1 58 58 GLN CB C 58 30.382 30.382 26.846 3.537 19108 254 1 1 . 1 1 58 58 GLN H H 58 9.099 9.099 8.302 0.797 19108 255 1 1 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.231 0.069 19108 256 1 1 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.091 0.413 19108 257 1 1 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.748 -0.327 19108 258 1 1 . 1 1 60 60 LYS N N 60 119.998 119.998 119.687 0.311 19108 259 1 1 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.321 -0.545 19108 260 1 1 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.409 0.892 19108 261 1 1 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.440 -0.623 19108 262 1 1 . 1 1 60 60 LYS H H 60 8.344 8.344 8.187 0.157 19108 263 1 1 . 1 1 61 61 ASN N N 61 119.688 119.688 114.677 5.011 19108 264 1 1 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.328 0.127 19108 265 1 1 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.255 -0.352 19108 266 1 1 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.506 2.031 19108 267 1 1 . 1 1 61 61 ASN H H 61 8.643 8.643 8.697 -0.054 19108 268 1 1 . 1 1 62 62 LEU N N 62 124.761 124.761 120.265 4.496 19108 269 1 1 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.371 -0.437 19108 270 1 1 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.399 -0.154 19108 271 1 1 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.995 -1.052 19108 272 1 1 . 1 1 62 62 LEU H H 62 8.873 8.873 8.302 0.571 19108 273 1 1 . 1 1 63 63 LEU N N 63 120.312 120.312 118.258 2.054 19108 274 1 1 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.196 0.003 19108 275 1 1 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.032 0.045 19108 276 1 1 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.253 0.004 19108 277 1 1 . 1 1 63 63 LEU H H 63 8.145 8.145 8.314 -0.169 19108 278 1 1 . 1 1 64 64 CYS N N 64 113.898 113.898 116.920 -3.022 19108 279 1 1 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.306 -0.135 19108 280 1 1 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.086 -2.301 19108 281 1 1 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.026 0.692 19108 282 1 1 . 1 1 64 64 CYS H H 64 7.376 7.376 7.569 -0.193 19108 283 1 1 . 1 1 65 65 GLY N N 65 108.894 108.894 108.019 0.875 19108 284 1 1 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.161 0.822 19108 285 1 1 . 1 1 65 65 GLY H H 65 7.789 7.789 8.236 -0.447 19108 286 1 1 . 1 1 66 66 PHE N N 66 118.711 118.711 123.255 -4.544 19108 287 1 1 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.385 -0.468 19108 288 1 1 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.171 -2.231 19108 289 1 1 . 1 1 66 66 PHE CB C 66 40.268 40.268 36.736 3.532 19108 290 1 1 . 1 1 66 66 PHE H H 66 7.699 7.699 8.092 -0.393 19108 291 1 1 . 1 1 67 67 TYR N N 67 124.623 124.623 123.655 0.968 19108 292 1 1 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.628 -0.328 19108 293 1 1 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.312 0.452 19108 294 1 1 . 1 1 67 67 TYR CB C 67 38.153 38.153 42.388 -4.235 19108 295 1 1 . 1 1 67 67 TYR H H 67 8.568 8.568 8.514 0.054 19108 296 1 1 . 1 1 69 69 ARG N N 69 121.427 121.427 119.018 2.409 19108 297 1 1 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.968 2.089 19108 298 1 1 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.431 -0.135 19108 299 1 1 . 1 1 69 69 ARG H H 69 8.313 8.313 8.059 0.254 19108 300 1 1 . 1 1 70 70 HIS N N 70 128.351 128.351 120.461 7.890 19108 301 1 1 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.873 -0.091 19108 302 1 1 . 1 1 70 70 HIS CA C 70 56.716 56.716 54.332 2.384 19108 303 1 1 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.314 0.462 19108 304 1 1 . 1 1 70 70 HIS H H 70 9.182 9.182 7.785 1.397 19108 305 1 1 . 1 1 71 71 ALA N N 71 125.649 125.649 126.191 -0.542 19108 306 1 1 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.862 -0.505 19108 307 1 1 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.743 0.039 19108 308 1 1 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.526 -0.516 19108 309 1 1 . 1 1 71 71 ALA H H 71 8.968 8.968 9.024 -0.056 19108 310 1 1 . 1 1 72 72 GLU N N 72 119.941 119.941 118.411 1.530 19108 311 1 1 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.691 -0.714 19108 312 1 1 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.631 1.325 19108 313 1 1 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.853 -0.847 19108 314 1 1 . 1 1 72 72 GLU H H 72 12.692 12.692 8.570 4.122 19108 315 1 1 . 1 1 73 73 LEU N N 73 114.882 114.882 119.676 -4.794 19108 316 1 1 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.005 -0.420 19108 317 1 1 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.444 -0.783 19108 318 1 1 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.338 -2.093 19108 319 1 1 . 1 1 73 73 LEU H H 73 6.637 6.637 7.913 -1.276 19108 320 1 1 . 1 1 74 74 ARG N N 74 117.799 117.799 118.875 -1.076 19108 321 1 1 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.731 0.311 19108 322 1 1 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.627 -0.452 19108 323 1 1 . 1 1 74 74 ARG H H 74 7.556 7.556 7.572 -0.016 19108 324 1 1 . 1 1 75 75 PHE N N 75 119.783 119.783 120.287 -0.504 19108 325 1 1 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.148 -0.587 19108 326 1 1 . 1 1 75 75 PHE CA C 75 61.674 61.674 61.035 0.639 19108 327 1 1 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.913 -0.875 19108 328 1 1 . 1 1 75 75 PHE H H 75 8.233 8.233 8.298 -0.065 19108 329 1 1 . 1 1 76 76 LEU N N 76 119.526 119.526 119.830 -0.304 19108 330 1 1 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.741 -0.183 19108 331 1 1 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.299 0.740 19108 332 1 1 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.937 -2.921 19108 333 1 1 . 1 1 76 76 LEU H H 76 7.629 7.629 8.025 -0.396 19108 334 1 1 . 1 1 77 77 ASP N N 77 118.215 118.215 119.520 -1.305 19108 335 1 1 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.500 -0.342 19108 336 1 1 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.808 -0.408 19108 337 1 1 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.432 -1.064 19108 338 1 1 . 1 1 77 77 ASP H H 77 8.190 8.190 8.033 0.157 19108 339 1 1 . 1 1 78 78 LEU N N 78 117.496 117.496 115.330 2.166 19108 340 1 1 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.464 -0.174 19108 341 1 1 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.546 -0.561 19108 342 1 1 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.865 0.535 19108 343 1 1 . 1 1 78 78 LEU H H 78 7.252 7.252 7.214 0.038 19108 344 1 1 . 1 1 79 79 VAL N N 79 120.915 120.915 123.268 -2.353 19108 345 1 1 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.433 -0.210 19108 346 1 1 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.797 0.731 19108 347 1 1 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.549 -0.429 19108 348 1 1 . 1 1 79 79 VAL H H 79 7.179 7.179 7.119 0.060 19108 349 1 1 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.325 -0.350 19108 350 1 1 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.218 1.569 19108 351 1 1 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.918 -1.109 19108 352 1 1 . 1 1 81 81 SER N N 81 112.727 112.727 112.781 -0.054 19108 353 1 1 . 1 1 81 81 SER HA H 81 4.314 4.314 4.241 0.073 19108 354 1 1 . 1 1 81 81 SER CA C 81 60.618 60.618 60.498 0.120 19108 355 1 1 . 1 1 81 81 SER CB C 81 63.450 63.450 63.038 0.412 19108 356 1 1 . 1 1 81 81 SER H H 81 7.828 7.828 7.686 0.142 19108 357 1 1 . 1 1 82 82 LEU N N 82 120.918 120.918 119.565 1.353 19108 358 1 1 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.609 -0.735 19108 359 1 1 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.938 0.554 19108 360 1 1 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.870 -2.659 19108 361 1 1 . 1 1 82 82 LEU H H 82 7.912 7.912 7.482 0.430 19108 362 1 1 . 1 1 83 83 GLN N N 83 111.397 111.397 117.972 -6.575 19108 363 1 1 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.031 -0.223 19108 364 1 1 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.950 0.216 19108 365 1 1 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.419 -0.751 19108 366 1 1 . 1 1 83 83 GLN H H 83 7.458 7.458 7.885 -0.427 19108 367 1 1 . 1 1 84 84 LEU N N 84 118.520 118.520 121.072 -2.552 19108 368 1 1 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.104 -0.385 19108 369 1 1 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.481 -0.739 19108 370 1 1 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.078 -2.833 19108 371 1 1 . 1 1 84 84 LEU H H 84 8.736 8.736 8.141 0.595 19108 372 1 1 . 1 1 85 85 ASP N N 85 126.187 126.187 123.730 2.457 19108 373 1 1 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.759 0.124 19108 374 1 1 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.722 -0.376 19108 375 1 1 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.943 1.005 19108 376 1 1 . 1 1 85 85 ASP H H 85 8.415 8.415 8.391 0.024 19108 377 1 1 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.557 0.371 19108 378 1 1 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.617 0.021 19108 379 1 1 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.064 -0.778 19108 380 1 1 . 1 1 87 87 ALA N N 87 121.030 121.030 121.973 -0.943 19108 381 1 1 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.097 0.321 19108 382 1 1 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.553 -1.381 19108 383 1 1 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.201 1.147 19108 384 1 1 . 1 1 87 87 ALA H H 87 8.504 8.504 7.656 0.848 19108 385 1 1 . 1 1 88 88 GLN N N 88 119.601 119.601 118.477 1.124 19108 386 1 1 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.289 0.233 19108 387 1 1 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.657 -1.223 19108 388 1 1 . 1 1 88 88 GLN CB C 88 30.049 30.049 29.475 0.574 19108 389 1 1 . 1 1 88 88 GLN H H 88 8.125 8.125 8.084 0.041 19108 390 1 1 . 1 1 89 89 ILE N N 89 118.195 118.195 118.604 -0.409 19108 391 1 1 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.805 0.164 19108 392 1 1 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.062 0.479 19108 393 1 1 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.455 0.797 19108 394 1 1 . 1 1 89 89 ILE H H 89 8.099 8.099 8.493 -0.394 19108 395 1 1 . 1 1 90 90 TYR N N 90 122.421 122.421 123.027 -0.606 19108 396 1 1 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.090 0.271 19108 397 1 1 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.298 -1.258 19108 398 1 1 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.899 -1.073 19108 399 1 1 . 1 1 90 90 TYR H H 90 8.892 8.892 8.372 0.520 19108 400 1 1 . 1 1 91 91 ARG N N 91 121.043 121.043 121.102 -0.059 19108 401 1 1 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.919 0.324 19108 402 1 1 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.044 -1.509 19108 403 1 1 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.691 -0.559 19108 404 1 1 . 1 1 91 91 ARG H H 91 9.327 9.327 9.088 0.239 19108 405 1 1 . 1 1 92 92 VAL N N 92 132.287 132.287 129.941 2.346 19108 406 1 1 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.080 -0.156 19108 407 1 1 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.342 -0.437 19108 408 1 1 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.666 -0.813 19108 409 1 1 . 1 1 92 92 VAL H H 92 9.668 9.668 9.137 0.531 19108 410 1 1 . 1 1 93 93 THR N N 93 124.468 124.468 125.069 -0.601 19108 411 1 1 . 1 1 93 93 THR HA H 93 5.264 5.264 4.667 0.597 19108 412 1 1 . 1 1 93 93 THR CA C 93 61.616 61.616 62.738 -1.122 19108 413 1 1 . 1 1 93 93 THR CB C 93 70.082 70.082 69.479 0.603 19108 414 1 1 . 1 1 93 93 THR H H 93 9.381 9.381 8.625 0.756 19108 415 1 1 . 1 1 94 94 TRP N N 94 124.491 124.491 128.073 -3.582 19108 416 1 1 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.870 0.796 19108 417 1 1 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.446 -3.241 19108 418 1 1 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.083 2.585 19108 419 1 1 . 1 1 94 94 TRP H H 94 9.071 9.071 9.155 -0.084 19108 420 1 1 . 1 1 95 95 PHE N N 95 122.179 122.179 123.100 -0.921 19108 421 1 1 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.977 0.693 19108 422 1 1 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.318 -0.544 19108 423 1 1 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.789 -1.340 19108 424 1 1 . 1 1 95 95 PHE H H 95 9.578 9.578 8.580 0.998 19108 425 1 1 . 1 1 96 96 ILE N N 96 125.072 125.072 122.805 2.267 19108 426 1 1 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.299 0.674 19108 427 1 1 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.619 -1.192 19108 428 1 1 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.751 4.322 19108 429 1 1 . 1 1 96 96 ILE H H 96 9.816 9.816 9.330 0.486 19108 430 1 1 . 1 1 97 97 SER N N 97 124.020 124.020 118.848 5.172 19108 431 1 1 . 1 1 97 97 SER HA H 97 3.623 3.623 4.834 -1.211 19108 432 1 1 . 1 1 97 97 SER CA C 97 61.750 61.750 60.078 1.672 19108 433 1 1 . 1 1 97 97 SER CB C 97 63.711 63.711 64.201 -0.490 19108 434 1 1 . 1 1 97 97 SER H H 97 9.156 9.156 8.568 0.588 19108 435 1 1 . 1 1 98 98 TRP N N 98 114.829 114.829 122.582 -7.753 19108 436 1 1 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.248 0.091 19108 437 1 1 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.954 -2.283 19108 438 1 1 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.630 3.121 19108 439 1 1 . 1 1 98 98 TRP H H 98 6.619 6.619 7.799 -1.180 19108 440 1 1 . 1 1 99 99 SER N N 99 115.444 115.444 120.852 -5.408 19108 441 1 1 . 1 1 99 99 SER CA C 99 58.045 58.045 57.749 0.296 19108 442 1 1 . 1 1 99 99 SER CB C 99 61.927 61.927 62.519 -0.592 19108 443 1 1 . 1 1 99 99 SER H H 99 8.590 8.590 8.270 0.320 19108 444 1 1 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.023 -1.098 19108 445 1 1 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.696 2.100 19108 446 1 1 . 1 1 101 101 CYS N N 101 121.768 121.768 115.724 6.044 19108 447 1 1 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.392 2.267 19108 448 1 1 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.001 1.188 19108 449 1 1 . 1 1 101 101 CYS H H 101 8.686 8.686 8.206 0.480 19108 450 1 1 . 1 1 102 102 PHE N N 102 115.031 115.031 122.166 -7.135 19108 451 1 1 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.960 2.000 19108 452 1 1 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.267 1.890 19108 453 1 1 . 1 1 102 102 PHE H H 102 9.318 9.318 8.526 0.792 19108 454 1 1 . 1 1 103 103 SER N N 103 119.552 119.552 123.378 -3.826 19108 455 1 1 . 1 1 103 103 SER HA H 103 3.713 3.713 4.173 -0.460 19108 456 1 1 . 1 1 103 103 SER CA C 103 63.368 63.368 62.444 0.924 19108 457 1 1 . 1 1 103 103 SER CB C 103 60.539 60.539 62.820 -2.281 19108 458 1 1 . 1 1 103 103 SER H H 103 10.858 10.858 8.826 2.032 19108 459 1 1 . 1 1 104 104 TRP N N 104 117.909 117.909 122.274 -4.365 19108 460 1 1 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.658 -0.882 19108 461 1 1 . 1 1 104 104 TRP CA C 104 59.214 59.214 60.227 -1.013 19108 462 1 1 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.168 -1.282 19108 463 1 1 . 1 1 104 104 TRP H H 104 7.880 7.880 8.663 -0.783 19108 464 1 1 . 1 1 105 105 GLY N N 105 106.359 106.359 107.945 -1.586 19108 465 1 1 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.908 -0.827 19108 466 1 1 . 1 1 105 105 GLY H H 105 7.468 7.468 8.706 -1.238 19108 467 1 1 . 1 1 106 106 CYS N N 106 120.359 120.359 120.971 -0.612 19108 468 1 1 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.366 -0.507 19108 469 1 1 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.139 3.963 19108 470 1 1 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.056 2.662 19108 471 1 1 . 1 1 106 106 CYS H H 106 7.366 7.366 8.011 -0.645 19108 472 1 1 . 1 1 107 107 ALA N N 107 119.725 119.725 122.181 -2.456 19108 473 1 1 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.009 -0.144 19108 474 1 1 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.340 1.594 19108 475 1 1 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.158 0.285 19108 476 1 1 . 1 1 107 107 ALA H H 107 8.719 8.719 8.402 0.317 19108 477 1 1 . 1 1 108 108 GLY N N 108 103.829 103.829 106.747 -2.918 19108 478 1 1 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.225 -0.331 19108 479 1 1 . 1 1 108 108 GLY H H 108 8.555 8.555 8.353 0.202 19108 480 1 1 . 1 1 109 109 GLU N N 109 123.162 123.162 121.304 1.858 19108 481 1 1 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.915 0.351 19108 482 1 1 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.152 0.140 19108 483 1 1 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.454 0.928 19108 484 1 1 . 1 1 109 109 GLU H H 109 8.023 8.023 7.631 0.392 19108 485 1 1 . 1 1 110 110 VAL N N 110 121.866 121.866 119.406 2.460 19108 486 1 1 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.728 -0.029 19108 487 1 1 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.173 1.870 19108 488 1 1 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.175 -0.169 19108 489 1 1 . 1 1 110 110 VAL H H 110 8.942 8.942 7.732 1.210 19108 490 1 1 . 1 1 111 111 ARG N N 111 120.587 120.587 120.969 -0.382 19108 491 1 1 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.758 0.028 19108 492 1 1 . 1 1 111 111 ARG CA C 111 60.081 60.081 60.114 -0.033 19108 493 1 1 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.109 -0.934 19108 494 1 1 . 1 1 111 111 ARG H H 111 8.653 8.653 8.538 0.115 19108 495 1 1 . 1 1 112 112 ALA N N 112 120.687 120.687 121.527 -0.840 19108 496 1 1 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.997 0.137 19108 497 1 1 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.051 0.367 19108 498 1 1 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.022 -0.031 19108 499 1 1 . 1 1 112 112 ALA H H 112 7.875 7.875 7.826 0.049 19108 500 1 1 . 1 1 113 113 PHE N N 113 118.950 118.950 118.522 0.428 19108 501 1 1 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.117 0.220 19108 502 1 1 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.583 -0.207 19108 503 1 1 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.262 0.125 19108 504 1 1 . 1 1 113 113 PHE H H 113 8.139 8.139 7.725 0.414 19108 505 1 1 . 1 1 114 114 LEU N N 114 120.595 120.595 120.964 -0.369 19108 506 1 1 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.856 -0.056 19108 507 1 1 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.227 -1.094 19108 508 1 1 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.951 -1.042 19108 509 1 1 . 1 1 114 114 LEU H H 114 8.639 8.639 8.243 0.396 19108 510 1 1 . 1 1 115 115 GLN N N 115 117.666 117.666 117.011 0.655 19108 511 1 1 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.897 0.126 19108 512 1 1 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.586 -0.200 19108 513 1 1 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.499 0.039 19108 514 1 1 . 1 1 115 115 GLN H H 115 8.167 8.167 8.294 -0.127 19108 515 1 1 . 1 1 116 116 GLU N N 116 115.380 115.380 118.447 -3.067 19108 516 1 1 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.257 0.065 19108 517 1 1 . 1 1 116 116 GLU CA C 116 57.062 57.062 57.410 -0.347 19108 518 1 1 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.913 -0.198 19108 519 1 1 . 1 1 116 116 GLU H H 116 7.448 7.448 7.699 -0.251 19108 520 1 1 . 1 1 117 117 ASN N N 117 119.831 119.831 118.972 0.859 19108 521 1 1 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.944 0.121 19108 522 1 1 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.532 -0.347 19108 523 1 1 . 1 1 117 117 ASN CB C 117 38.246 38.246 37.654 0.591 19108 524 1 1 . 1 1 117 117 ASN H H 117 7.632 7.632 8.325 -0.693 19108 525 1 1 . 1 1 118 118 THR N N 118 111.041 111.041 113.901 -2.860 19108 526 1 1 . 1 1 118 118 THR HA H 118 4.317 4.317 3.991 0.326 19108 527 1 1 . 1 1 118 118 THR CA C 118 64.081 64.081 64.628 -0.547 19108 528 1 1 . 1 1 118 118 THR CB C 118 68.767 68.767 68.313 0.454 19108 529 1 1 . 1 1 118 118 THR H H 118 8.054 8.054 7.693 0.361 19108 530 1 1 . 1 1 119 119 HIS N N 119 120.403 120.403 116.584 3.819 19108 531 1 1 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.635 -0.346 19108 532 1 1 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.861 0.740 19108 533 1 1 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.041 1.279 19108 534 1 1 . 1 1 119 119 HIS H H 119 9.248 9.248 8.351 0.897 19108 535 1 1 . 1 1 120 120 VAL N N 120 120.001 120.001 118.831 1.170 19108 536 1 1 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.570 -0.044 19108 537 1 1 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.282 1.608 19108 538 1 1 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.038 -2.043 19108 539 1 1 . 1 1 120 120 VAL H H 120 7.379 7.379 7.733 -0.354 19108 540 1 1 . 1 1 121 121 ARG N N 121 125.312 125.312 123.628 1.684 19108 541 1 1 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.504 0.306 19108 542 1 1 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.238 -2.171 19108 543 1 1 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.660 -2.080 19108 544 1 1 . 1 1 121 121 ARG H H 121 8.775 8.775 8.357 0.418 19108 545 1 1 . 1 1 122 122 LEU N N 122 125.483 125.483 124.820 0.663 19108 546 1 1 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.924 0.236 19108 547 1 1 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.744 -0.443 19108 548 1 1 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.359 2.313 19108 549 1 1 . 1 1 122 122 LEU H H 122 9.345 9.345 8.590 0.755 19108 550 1 1 . 1 1 123 123 ARG N N 123 127.748 127.748 126.073 1.675 19108 551 1 1 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.417 0.319 19108 552 1 1 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.479 -0.312 19108 553 1 1 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.611 0.202 19108 554 1 1 . 1 1 123 123 ARG H H 123 9.053 9.053 8.263 0.790 19108 555 1 1 . 1 1 124 124 ILE N N 124 123.665 123.665 123.812 -0.147 19108 556 1 1 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.253 0.189 19108 557 1 1 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.497 0.262 19108 558 1 1 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.978 0.915 19108 559 1 1 . 1 1 124 124 ILE H H 124 9.019 9.019 8.561 0.458 19108 560 1 1 . 1 1 125 125 PHE N N 125 126.320 126.320 126.276 0.044 19108 561 1 1 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.415 -0.250 19108 562 1 1 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.648 0.266 19108 563 1 1 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.928 -1.109 19108 564 1 1 . 1 1 125 125 PHE H H 125 9.359 9.359 8.041 1.318 19108 565 1 1 . 1 1 126 126 ALA N N 126 124.526 124.526 127.537 -3.011 19108 566 1 1 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.103 0.713 19108 567 1 1 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.363 -1.493 19108 568 1 1 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.698 0.636 19108 569 1 1 . 1 1 126 126 ALA H H 126 9.091 9.091 8.761 0.330 19108 570 1 1 . 1 1 127 127 ALA N N 127 126.272 126.272 128.268 -1.996 19108 571 1 1 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.469 0.282 19108 572 1 1 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.477 1.990 19108 573 1 1 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.892 -0.287 19108 574 1 1 . 1 1 127 127 ALA H H 127 9.049 9.049 9.073 -0.024 19108 575 1 1 . 1 1 128 128 ARG N N 128 108.570 108.570 117.752 -9.182 19108 576 1 1 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.448 -0.034 19108 577 1 1 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.530 3.676 19108 578 1 1 . 1 1 128 128 ARG H H 128 6.741 6.741 7.914 -1.173 19108 579 1 1 . 1 1 129 129 ILE N N 129 121.285 121.285 123.919 -2.634 19108 580 1 1 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.149 0.142 19108 581 1 1 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.671 0.196 19108 582 1 1 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.865 0.964 19108 583 1 1 . 1 1 129 129 ILE H H 129 8.340 8.340 8.370 -0.030 19108 584 1 1 . 1 1 130 130 TYR N N 130 130.143 130.143 126.542 3.601 19108 585 1 1 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.296 1.039 19108 586 1 1 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.946 -1.020 19108 587 1 1 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.826 -2.663 19108 588 1 1 . 1 1 130 130 TYR H H 130 8.870 8.870 8.891 -0.021 19108 589 1 1 . 1 1 131 131 ASP N N 131 123.662 123.662 122.404 1.258 19108 590 1 1 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.889 -1.222 19108 591 1 1 . 1 1 131 131 ASP CA C 131 54.713 54.713 52.903 1.810 19108 592 1 1 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.933 -4.032 19108 593 1 1 . 1 1 131 131 ASP H H 131 8.123 8.123 8.243 -0.120 19108 594 1 1 . 1 1 132 132 TYR N N 132 116.852 116.852 119.736 -2.884 19108 595 1 1 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.724 -0.809 19108 596 1 1 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.581 -0.113 19108 597 1 1 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.485 -0.448 19108 598 1 1 . 1 1 132 132 TYR H H 132 6.448 6.448 8.689 -2.241 19108 599 1 1 . 1 1 133 133 ASP N N 133 116.930 116.930 117.323 -0.393 19108 600 1 1 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.856 -2.691 19108 601 1 1 . 1 1 133 133 ASP CB C 133 42.782 42.782 42.620 0.162 19108 602 1 1 . 1 1 133 133 ASP H H 133 7.005 7.005 7.886 -0.881 19108 603 1 1 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.732 -0.629 19108 604 1 1 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.349 0.352 19108 605 1 1 . 1 1 134 134 PRO CB C 134 32.090 32.090 30.684 1.406 19108 606 1 1 . 1 1 135 135 LEU N N 135 120.252 120.252 121.219 -0.967 19108 607 1 1 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.375 0.323 19108 608 1 1 . 1 1 135 135 LEU CA C 135 54.381 54.381 54.881 -0.500 19108 609 1 1 . 1 1 135 135 LEU CB C 135 39.744 39.744 42.525 -2.781 19108 610 1 1 . 1 1 135 135 LEU H H 135 8.456 8.456 8.331 0.125 19108 611 1 1 . 1 1 136 136 TYR N N 136 117.432 117.432 118.074 -0.642 19108 612 1 1 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.208 -0.147 19108 613 1 1 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.757 1.301 19108 614 1 1 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.128 0.452 19108 615 1 1 . 1 1 136 136 TYR H H 136 8.028 8.028 8.167 -0.139 19108 616 1 1 . 1 1 137 137 LYS N N 137 122.000 122.000 118.630 3.370 19108 617 1 1 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.635 1.664 19108 618 1 1 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.260 -0.462 19108 619 1 1 . 1 1 137 137 LYS H H 137 7.503 7.503 6.865 0.638 19108 620 1 1 . 1 1 138 138 GLU N N 138 121.833 121.833 120.227 1.606 19108 621 1 1 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.953 0.888 19108 622 1 1 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.484 -2.015 19108 623 1 1 . 1 1 138 138 GLU H H 138 8.752 8.752 8.090 0.662 19108 624 1 1 . 1 1 139 139 ALA N N 139 119.592 119.592 122.287 -2.695 19108 625 1 1 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.200 -0.354 19108 626 1 1 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.102 0.038 19108 627 1 1 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.366 1.889 19108 628 1 1 . 1 1 139 139 ALA H H 139 7.682 7.682 7.665 0.017 19108 629 1 1 . 1 1 140 140 LEU N N 140 116.268 116.268 119.380 -3.112 19108 630 1 1 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.955 0.238 19108 631 1 1 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.028 0.068 19108 632 1 1 . 1 1 140 140 LEU H H 140 7.175 7.175 7.703 -0.528 19108 633 1 1 . 1 1 141 141 GLN N N 141 117.550 117.550 117.896 -0.346 19108 634 1 1 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.095 -0.376 19108 635 1 1 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.883 1.168 19108 636 1 1 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.342 -0.748 19108 637 1 1 . 1 1 141 141 GLN H H 141 8.322 8.322 7.714 0.608 19108 638 1 1 . 1 1 142 142 MET N N 142 118.520 118.520 119.249 -0.729 19108 639 1 1 . 1 1 142 142 MET HA H 142 4.135 4.135 4.051 0.084 19108 640 1 1 . 1 1 142 142 MET CA C 142 59.051 59.051 58.805 0.246 19108 641 1 1 . 1 1 142 142 MET CB C 142 33.170 33.170 32.596 0.574 19108 642 1 1 . 1 1 142 142 MET H H 142 8.241 8.241 7.867 0.374 19108 643 1 1 . 1 1 143 143 LEU N N 143 118.659 118.659 117.652 1.007 19108 644 1 1 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.141 0.151 19108 645 1 1 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.179 0.936 19108 646 1 1 . 1 1 143 143 LEU CB C 143 41.377 41.377 42.030 -0.653 19108 647 1 1 . 1 1 143 143 LEU H H 143 7.932 7.932 8.220 -0.288 19108 648 1 1 . 1 1 144 144 ARG N N 144 121.294 121.294 119.877 1.417 19108 649 1 1 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.970 0.456 19108 650 1 1 . 1 1 144 144 ARG CA C 144 58.989 58.989 58.389 0.600 19108 651 1 1 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.053 -0.945 19108 652 1 1 . 1 1 144 144 ARG H H 144 7.968 7.968 7.729 0.239 19108 653 1 1 . 1 1 145 145 ASP N N 145 122.553 122.553 118.789 3.764 19108 654 1 1 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.511 -0.082 19108 655 1 1 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.380 0.198 19108 656 1 1 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.770 -1.180 19108 657 1 1 . 1 1 145 145 ASP H H 145 8.868 8.868 7.917 0.951 19108 658 1 1 . 1 1 146 146 ALA N N 146 120.102 120.102 119.152 0.950 19108 659 1 1 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.539 -0.121 19108 660 1 1 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.783 -0.749 19108 661 1 1 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.069 -0.774 19108 662 1 1 . 1 1 146 146 ALA H H 146 7.737 7.737 8.333 -0.596 19108 663 1 1 . 1 1 147 147 GLY N N 147 105.039 105.039 106.297 -1.258 19108 664 1 1 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.687 0.177 19108 665 1 1 . 1 1 147 147 GLY H H 147 7.966 7.966 7.714 0.252 19108 666 1 1 . 1 1 148 148 ALA N N 148 124.181 124.181 123.105 1.076 19108 667 1 1 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.239 0.450 19108 668 1 1 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.133 -0.674 19108 669 1 1 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.877 -1.397 19108 670 1 1 . 1 1 148 148 ALA H H 148 8.051 8.051 7.731 0.320 19108 671 1 1 . 1 1 149 149 GLN N N 149 122.185 122.185 119.532 2.653 19108 672 1 1 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.521 -0.082 19108 673 1 1 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.020 -0.065 19108 674 1 1 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.523 -1.102 19108 675 1 1 . 1 1 149 149 GLN H H 149 7.953 7.953 7.872 0.081 19108 676 1 1 . 1 1 150 150 VAL N N 150 127.399 127.399 121.800 5.599 19108 677 1 1 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.937 -0.185 19108 678 1 1 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.052 1.387 19108 679 1 1 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.333 0.845 19108 680 1 1 . 1 1 150 150 VAL H H 150 8.658 8.658 8.346 0.312 19108 681 1 1 . 1 1 151 151 SER N N 151 120.616 120.616 121.499 -0.883 19108 682 1 1 . 1 1 151 151 SER HA H 151 5.179 5.179 4.940 0.239 19108 683 1 1 . 1 1 151 151 SER CA C 151 56.981 56.981 56.571 0.410 19108 684 1 1 . 1 1 151 151 SER CB C 151 66.538 66.538 66.843 -0.305 19108 685 1 1 . 1 1 151 151 SER H H 151 8.737 8.737 8.192 0.545 19108 686 1 1 . 1 1 152 152 ILE N N 152 123.180 123.180 121.844 1.336 19108 687 1 1 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.510 0.637 19108 688 1 1 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.994 -4.476 19108 689 1 1 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.072 -1.992 19108 690 1 1 . 1 1 152 152 ILE H H 152 8.672 8.672 8.567 0.105 19108 691 1 1 . 1 1 153 153 MET N N 153 123.477 123.477 130.545 -7.068 19108 692 1 1 . 1 1 153 153 MET HA H 153 3.886 3.886 4.397 -0.511 19108 693 1 1 . 1 1 153 153 MET CA C 153 59.053 59.053 55.676 3.377 19108 694 1 1 . 1 1 153 153 MET CB C 153 34.793 34.793 31.652 3.140 19108 695 1 1 . 1 1 153 153 MET H H 153 8.314 8.314 8.247 0.067 19108 696 1 1 . 1 1 154 154 THR N N 154 117.621 117.621 120.135 -2.514 19108 697 1 1 . 1 1 154 154 THR HA H 154 4.951 4.951 4.615 0.336 19108 698 1 1 . 1 1 154 154 THR CA C 154 60.436 60.436 59.821 0.616 19108 699 1 1 . 1 1 154 154 THR CB C 154 72.370 72.370 70.800 1.570 19108 700 1 1 . 1 1 154 154 THR H H 154 9.630 9.630 8.629 1.001 19108 701 1 1 . 1 1 155 155 TYR N N 155 121.751 121.751 124.939 -3.188 19108 702 1 1 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.075 0.024 19108 703 1 1 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.835 1.604 19108 704 1 1 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.533 0.753 19108 705 1 1 . 1 1 155 155 TYR H H 155 9.769 9.769 9.005 0.764 19108 706 1 1 . 1 1 156 156 ASP N N 156 115.555 115.555 116.573 -1.018 19108 707 1 1 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.080 0.028 19108 708 1 1 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.217 0.043 19108 709 1 1 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.243 0.375 19108 710 1 1 . 1 1 156 156 ASP H H 156 8.230 8.230 8.804 -0.574 19108 711 1 1 . 1 1 157 157 GLU N N 157 117.678 117.678 120.117 -2.439 19108 712 1 1 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.862 0.008 19108 713 1 1 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.159 1.348 19108 714 1 1 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.439 1.609 19108 715 1 1 . 1 1 157 157 GLU H H 157 7.470 7.470 7.832 -0.362 19108 716 1 1 . 1 1 158 158 PHE N N 158 119.869 119.869 119.476 0.393 19108 717 1 1 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.971 -0.142 19108 718 1 1 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.881 0.895 19108 719 1 1 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.685 1.222 19108 720 1 1 . 1 1 158 158 PHE H H 158 8.077 8.077 8.511 -0.434 19108 721 1 1 . 1 1 159 159 LYS N N 159 118.859 118.859 119.267 -0.408 19108 722 1 1 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.806 0.111 19108 723 1 1 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.706 -0.475 19108 724 1 1 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.072 -0.108 19108 725 1 1 . 1 1 159 159 LYS H H 159 8.273 8.273 7.793 0.480 19108 726 1 1 . 1 1 160 160 HIS N N 160 115.889 115.889 119.694 -3.805 19108 727 1 1 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.388 -0.229 19108 728 1 1 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.318 0.663 19108 729 1 1 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.757 -1.827 19108 730 1 1 . 1 1 160 160 HIS H H 160 7.695 7.695 7.683 0.012 19108 731 1 1 . 1 1 161 161 CYS N N 161 118.188 118.188 118.289 -0.101 19108 732 1 1 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.670 0.119 19108 733 1 1 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.321 0.473 19108 734 1 1 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.173 1.713 19108 735 1 1 . 1 1 161 161 CYS H H 161 7.885 7.885 8.529 -0.644 19108 736 1 1 . 1 1 162 162 TRP N N 162 122.741 122.741 122.278 0.463 19108 737 1 1 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.387 0.377 19108 738 1 1 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.460 0.257 19108 739 1 1 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.166 -0.573 19108 740 1 1 . 1 1 162 162 TRP H H 162 8.040 8.040 7.756 0.284 19108 741 1 1 . 1 1 163 163 ASP N N 163 113.796 113.796 117.433 -3.637 19108 742 1 1 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.304 0.822 19108 743 1 1 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.241 1.688 19108 744 1 1 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.036 1.499 19108 745 1 1 . 1 1 163 163 ASP H H 163 8.319 8.319 7.821 0.498 19108 746 1 1 . 1 1 164 164 THR N N 164 112.008 112.008 113.374 -1.366 19108 747 1 1 . 1 1 164 164 THR HA H 164 3.803 3.803 3.875 -0.072 19108 748 1 1 . 1 1 164 164 THR CA C 164 65.164 65.164 64.843 0.321 19108 749 1 1 . 1 1 164 164 THR CB C 164 70.171 70.171 69.092 1.079 19108 750 1 1 . 1 1 164 164 THR H H 164 7.494 7.494 7.554 -0.060 19108 751 1 1 . 1 1 165 165 PHE N N 165 115.079 115.079 118.318 -3.239 19108 752 1 1 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.467 0.068 19108 753 1 1 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.459 0.510 19108 754 1 1 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.510 -0.142 19108 755 1 1 . 1 1 165 165 PHE H H 165 8.235 8.235 7.312 0.923 19108 756 1 1 . 1 1 166 166 VAL N N 166 118.432 118.432 119.185 -0.753 19108 757 1 1 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.165 -0.140 19108 758 1 1 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.836 1.165 19108 759 1 1 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.992 -3.637 19108 760 1 1 . 1 1 166 166 VAL H H 166 6.838 6.838 7.104 -0.266 19108 761 1 1 . 1 1 167 167 ASP N N 167 126.263 126.263 127.097 -0.834 19108 762 1 1 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.606 -0.758 19108 763 1 1 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.594 -1.964 19108 764 1 1 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.937 -0.856 19108 765 1 1 . 1 1 167 167 ASP H H 167 8.498 8.498 8.508 -0.010 19108 766 1 1 . 1 1 168 168 HIS N N 168 119.890 119.890 117.097 2.793 19108 767 1 1 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.337 0.009 19108 768 1 1 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.187 -0.612 19108 769 1 1 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.800 2.662 19108 770 1 1 . 1 1 168 168 HIS H H 168 6.977 6.977 7.683 -0.706 19108 771 1 1 . 1 1 169 169 GLN N N 169 119.254 119.254 114.934 4.320 19108 772 1 1 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.957 -0.234 19108 773 1 1 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.250 0.520 19108 774 1 1 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.359 -0.838 19108 775 1 1 . 1 1 169 169 GLN H H 169 9.126 9.126 8.790 0.336 19108 776 1 1 . 1 1 170 170 GLY N N 170 111.911 111.911 101.878 10.033 19108 777 1 1 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.132 0.692 19108 778 1 1 . 1 1 170 170 GLY H H 170 11.556 11.556 6.226 5.330 19108 779 1 1 . 1 1 171 171 CYS N N 171 123.390 123.390 120.109 3.281 19108 780 1 1 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.887 -0.171 19108 781 1 1 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.662 2.123 19108 782 1 1 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.079 -0.175 19108 783 1 1 . 1 1 171 171 CYS H H 171 8.044 8.044 7.190 0.854 19108 784 1 1 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.591 0.027 19108 785 1 1 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.383 -1.524 19108 786 1 1 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.074 0.455 19108 787 1 1 . 1 1 173 173 PHE N N 173 121.101 121.101 121.804 -0.703 19108 788 1 1 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.140 -1.484 19108 789 1 1 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.312 1.229 19108 790 1 1 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.864 -0.118 19108 791 1 1 . 1 1 173 173 PHE H H 173 8.842 8.842 7.870 0.972 19108 792 1 1 . 1 1 174 174 GLN N N 174 129.493 129.493 126.675 2.818 19108 793 1 1 . 1 1 174 174 GLN HA H 174 4.317 4.317 3.983 0.334 19108 794 1 1 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.982 -2.187 19108 795 1 1 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.712 0.385 19108 796 1 1 . 1 1 174 174 GLN H H 174 7.250 7.250 7.972 -0.722 19108 797 1 1 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.767 -0.853 19108 798 1 1 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.566 -0.143 19108 799 1 1 . 1 1 176 176 TRP N N 176 118.133 118.133 122.027 -3.894 19108 800 1 1 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.679 -0.046 19108 801 1 1 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.860 0.302 19108 802 1 1 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.209 -0.320 19108 803 1 1 . 1 1 176 176 TRP H H 176 5.591 5.591 6.812 -1.221 19108 804 1 1 . 1 1 177 177 ASP N N 177 121.814 121.814 121.734 0.080 19108 805 1 1 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.716 -0.319 19108 806 1 1 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.545 1.627 19108 807 1 1 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.039 1.636 19108 808 1 1 . 1 1 177 177 ASP H H 177 8.848 8.848 8.582 0.266 19108 809 1 1 . 1 1 178 178 GLY N N 178 111.875 111.875 110.309 1.566 19108 810 1 1 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.352 0.314 19108 811 1 1 . 1 1 178 178 GLY H H 178 8.987 8.987 8.139 0.848 19108 812 1 1 . 1 1 179 179 LEU N N 179 121.470 121.470 123.062 -1.592 19108 813 1 1 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.426 0.062 19108 814 1 1 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.681 2.101 19108 815 1 1 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.949 0.280 19108 816 1 1 . 1 1 179 179 LEU H H 179 7.148 7.148 7.726 -0.578 19108 817 1 1 . 1 1 180 180 ASP N N 180 119.476 119.476 119.674 -0.198 19108 818 1 1 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.373 0.119 19108 819 1 1 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.886 0.053 19108 820 1 1 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.627 1.086 19108 821 1 1 . 1 1 180 180 ASP H H 180 8.874 8.874 8.678 0.196 19108 822 1 1 . 1 1 181 181 GLU N N 181 122.379 122.379 121.396 0.983 19108 823 1 1 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.090 -0.077 19108 824 1 1 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.603 0.366 19108 825 1 1 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.432 -0.506 19108 826 1 1 . 1 1 181 181 GLU H H 181 8.712 8.712 8.550 0.162 19108 827 1 1 . 1 1 182 182 HIS N N 182 118.572 118.572 117.414 1.158 19108 828 1 1 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.284 0.470 19108 829 1 1 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.627 -0.598 19108 830 1 1 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.630 -0.782 19108 831 1 1 . 1 1 182 182 HIS H H 182 8.854 8.854 8.676 0.178 19108 832 1 1 . 1 1 183 183 SER N N 183 116.329 116.329 115.474 0.855 19108 833 1 1 . 1 1 183 183 SER HA H 183 4.554 4.554 4.197 0.357 19108 834 1 1 . 1 1 183 183 SER CA C 183 63.604 63.604 62.606 0.998 19108 835 1 1 . 1 1 183 183 SER CB C 183 65.216 65.216 63.018 2.198 19108 836 1 1 . 1 1 183 183 SER H H 183 8.665 8.665 8.318 0.347 19108 837 1 1 . 1 1 184 184 GLN N N 184 122.215 122.215 121.242 0.973 19108 838 1 1 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.229 0.018 19108 839 1 1 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.645 0.315 19108 840 1 1 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.933 0.002 19108 841 1 1 . 1 1 184 184 GLN H H 184 8.714 8.714 8.076 0.638 19108 842 1 1 . 1 1 185 185 ALA N N 185 124.432 124.432 123.249 1.183 19108 843 1 1 . 1 1 185 185 ALA HA H 185 4.284 4.284 3.988 0.296 19108 844 1 1 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.268 0.201 19108 845 1 1 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.239 0.135 19108 846 1 1 . 1 1 185 185 ALA H H 185 8.258 8.258 8.459 -0.201 19108 847 1 1 . 1 1 186 186 LEU N N 186 119.941 119.941 117.910 2.031 19108 848 1 1 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.875 0.337 19108 849 1 1 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.184 0.032 19108 850 1 1 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.656 1.108 19108 851 1 1 . 1 1 186 186 LEU H H 186 8.953 8.953 8.547 0.406 19108 852 1 1 . 1 1 187 187 SER N N 187 116.987 116.987 114.373 2.614 19108 853 1 1 . 1 1 187 187 SER HA H 187 4.039 4.039 4.163 -0.124 19108 854 1 1 . 1 1 187 187 SER CA C 187 63.302 63.302 61.601 1.701 19108 855 1 1 . 1 1 187 187 SER CB C 187 62.760 62.760 62.314 0.446 19108 856 1 1 . 1 1 187 187 SER H H 187 8.935 8.935 8.053 0.882 19108 857 1 1 . 1 1 188 188 GLY N N 188 110.215 110.215 110.838 -0.623 19108 858 1 1 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.556 0.598 19108 859 1 1 . 1 1 188 188 GLY H H 188 8.228 8.228 8.355 -0.127 19108 860 1 1 . 1 1 189 189 ARG N N 189 122.994 122.994 122.641 0.353 19108 861 1 1 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.105 0.132 19108 862 1 1 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.152 0.407 19108 863 1 1 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.119 0.276 19108 864 1 1 . 1 1 189 189 ARG H H 189 7.838 7.838 7.612 0.226 19108 865 1 1 . 1 1 190 190 LEU N N 190 119.765 119.765 119.779 -0.014 19108 866 1 1 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.035 0.203 19108 867 1 1 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.273 -0.054 19108 868 1 1 . 1 1 190 190 LEU CB C 190 41.242 41.242 40.981 0.261 19108 869 1 1 . 1 1 190 190 LEU H H 190 8.791 8.791 8.135 0.656 19108 870 1 1 . 1 1 191 191 ARG N N 191 118.427 118.427 119.293 -0.866 19108 871 1 1 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.862 0.181 19108 872 1 1 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.684 0.098 19108 873 1 1 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.129 0.062 19108 874 1 1 . 1 1 191 191 ARG H H 191 8.305 8.305 8.154 0.151 19108 875 1 1 . 1 1 192 192 ALA N N 192 119.414 119.414 120.387 -0.973 19108 876 1 1 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.129 0.088 19108 877 1 1 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.787 -0.071 19108 878 1 1 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.290 -0.125 19108 879 1 1 . 1 1 192 192 ALA H H 192 7.414 7.414 8.039 -0.625 19108 880 1 1 . 1 1 193 193 ILE N N 193 118.949 118.949 117.502 1.447 19108 881 1 1 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.816 -0.046 19108 882 1 1 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.723 1.115 19108 883 1 1 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.421 1.025 19108 884 1 1 . 1 1 193 193 ILE H H 193 7.896 7.896 7.661 0.235 19108 885 1 1 . 1 1 194 194 LEU N N 194 116.435 116.435 119.732 -3.297 19108 886 1 1 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.169 0.104 19108 887 1 1 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.880 -1.167 19108 888 1 1 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.428 -1.957 19108 889 1 1 . 1 1 194 194 LEU H H 194 8.296 8.296 8.182 0.114 19108 890 1 1 . 1 1 195 195 GLN N N 195 118.580 118.580 115.475 3.105 19108 891 1 1 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.992 0.343 19108 892 1 1 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.384 -1.967 19108 893 1 1 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.037 0.561 19108 894 1 1 . 1 1 195 195 GLN H H 195 7.921 7.921 8.926 -1.005 19108 895 1 1 . 1 1 196 196 ASN N N 196 118.941 118.941 117.450 1.491 19108 896 1 1 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.871 -0.169 19108 897 1 1 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.019 0.431 19108 898 1 1 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.902 -1.077 19108 899 1 1 . 1 1 196 196 ASN H H 196 8.078 8.078 8.356 -0.278 19108 900 1 1 . 1 1 197 197 GLN N N 197 120.984 120.984 122.184 -1.200 19108 901 1 1 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.554 -0.198 19108 902 1 1 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.270 -0.104 19108 903 1 1 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.478 0.018 19108 904 1 1 . 1 1 197 197 GLN H H 197 8.526 8.526 8.751 -0.225 19108 905 1 1 . 1 1 198 198 GLY N N 198 109.565 109.565 109.002 0.563 19108 906 1 1 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.826 0.558 19108 907 1 1 . 1 1 198 198 GLY H H 198 8.467 8.467 7.988 0.479 19108 908 1 2 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.293 0.081 19108 909 1 2 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.581 -0.233 19108 910 1 2 . 1 1 2 2 GLU CB C 2 30.453 30.453 28.318 2.135 19108 911 1 2 . 1 1 3 3 ALA N N 3 125.932 125.932 124.274 1.658 19108 912 1 2 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.393 -0.043 19108 913 1 2 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.281 -0.874 19108 914 1 2 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.960 -0.380 19108 915 1 2 . 1 1 3 3 ALA H H 3 8.526 8.526 8.513 0.013 19108 916 1 2 . 1 1 4 4 SER N N 4 116.729 116.729 112.910 3.819 19108 917 1 2 . 1 1 4 4 SER HA H 4 4.766 4.766 4.807 -0.041 19108 918 1 2 . 1 1 4 4 SER CA C 4 56.283 56.283 56.531 -0.248 19108 919 1 2 . 1 1 4 4 SER CB C 4 63.278 63.278 63.980 -0.702 19108 920 1 2 . 1 1 4 4 SER H H 4 8.397 8.397 8.130 0.267 19108 921 1 2 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.418 0.028 19108 922 1 2 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.644 -0.338 19108 923 1 2 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.265 -0.168 19108 924 1 2 . 1 1 6 6 ALA N N 6 124.236 124.236 120.727 3.509 19108 925 1 2 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.316 0.017 19108 926 1 2 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.647 0.916 19108 927 1 2 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.203 0.131 19108 928 1 2 . 1 1 6 6 ALA H H 6 8.411 8.411 7.325 1.086 19108 929 1 2 . 1 1 7 7 SER N N 7 114.497 114.497 115.049 -0.552 19108 930 1 2 . 1 1 7 7 SER HA H 7 4.475 4.475 4.168 0.307 19108 931 1 2 . 1 1 7 7 SER CA C 7 58.258 58.258 59.345 -1.087 19108 932 1 2 . 1 1 7 7 SER CB C 7 64.174 64.174 62.822 1.352 19108 933 1 2 . 1 1 7 7 SER H H 7 8.195 8.195 8.504 -0.309 19108 934 1 2 . 1 1 8 8 GLY N N 8 110.497 110.497 108.711 1.786 19108 935 1 2 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.694 0.152 19108 936 1 2 . 1 1 8 8 GLY H H 8 8.226 8.226 8.164 0.062 19108 937 1 2 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.489 -0.040 19108 938 1 2 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.636 0.798 19108 939 1 2 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.397 0.796 19108 940 1 2 . 1 1 10 10 ARG N N 10 120.534 120.534 117.057 3.477 19108 941 1 2 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.026 0.315 19108 942 1 2 . 1 1 10 10 ARG CA C 10 56.016 56.016 57.078 -1.062 19108 943 1 2 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.124 0.685 19108 944 1 2 . 1 1 10 10 ARG H H 10 8.469 8.469 7.946 0.523 19108 945 1 2 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.723 0.102 19108 946 1 2 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.957 -0.496 19108 947 1 2 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.905 -0.714 19108 948 1 2 . 1 1 12 12 LEU N N 12 122.284 122.284 123.806 -1.522 19108 949 1 2 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.009 0.600 19108 950 1 2 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.929 1.101 19108 951 1 2 . 1 1 12 12 LEU H H 12 8.250 8.250 8.190 0.060 19108 952 1 2 . 1 1 13 13 MET N N 13 121.493 121.493 118.506 2.987 19108 953 1 2 . 1 1 13 13 MET HA H 13 4.038 4.038 4.364 -0.326 19108 954 1 2 . 1 1 13 13 MET CA C 13 54.449 54.449 56.168 -1.719 19108 955 1 2 . 1 1 13 13 MET CB C 13 35.015 35.015 33.749 1.266 19108 956 1 2 . 1 1 13 13 MET H H 13 8.955 8.955 7.840 1.115 19108 957 1 2 . 1 1 14 14 ASP N N 14 127.113 127.113 121.542 5.571 19108 958 1 2 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.035 -0.935 19108 959 1 2 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.708 -1.252 19108 960 1 2 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.833 0.677 19108 961 1 2 . 1 1 14 14 ASP H H 14 8.514 8.514 8.625 -0.111 19108 962 1 2 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.179 -0.326 19108 963 1 2 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.334 0.320 19108 964 1 2 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.124 -0.473 19108 965 1 2 . 1 1 16 16 HIS N N 16 115.776 115.776 116.486 -0.710 19108 966 1 2 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.441 -0.163 19108 967 1 2 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.824 -0.906 19108 968 1 2 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.612 -0.404 19108 969 1 2 . 1 1 16 16 HIS H H 16 8.591 8.591 8.505 0.086 19108 970 1 2 . 1 1 17 17 ILE N N 17 122.675 122.675 118.762 3.913 19108 971 1 2 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.656 -0.172 19108 972 1 2 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.783 -1.557 19108 973 1 2 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.906 -0.808 19108 974 1 2 . 1 1 17 17 ILE H H 17 7.558 7.558 8.271 -0.713 19108 975 1 2 . 1 1 18 18 PHE N N 18 120.513 120.513 120.948 -0.435 19108 976 1 2 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.193 -0.190 19108 977 1 2 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.586 1.218 19108 978 1 2 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.841 -0.201 19108 979 1 2 . 1 1 18 18 PHE H H 18 7.831 7.831 8.170 -0.339 19108 980 1 2 . 1 1 19 19 THR N N 19 114.555 114.555 114.514 0.041 19108 981 1 2 . 1 1 19 19 THR HA H 19 3.657 3.657 4.210 -0.553 19108 982 1 2 . 1 1 19 19 THR CA C 19 66.485 66.485 66.325 0.160 19108 983 1 2 . 1 1 19 19 THR CB C 19 68.345 68.345 68.584 -0.239 19108 984 1 2 . 1 1 19 19 THR H H 19 9.036 9.036 8.605 0.431 19108 985 1 2 . 1 1 20 20 SER N N 20 113.030 113.030 115.889 -2.859 19108 986 1 2 . 1 1 20 20 SER HA H 20 4.062 4.062 4.310 -0.248 19108 987 1 2 . 1 1 20 20 SER CA C 20 60.610 60.610 60.505 0.105 19108 988 1 2 . 1 1 20 20 SER CB C 20 63.843 63.843 63.207 0.636 19108 989 1 2 . 1 1 20 20 SER H H 20 7.809 7.809 8.331 -0.522 19108 990 1 2 . 1 1 21 21 ASN N N 21 115.629 115.629 118.820 -3.191 19108 991 1 2 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.501 -0.090 19108 992 1 2 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.299 1.690 19108 993 1 2 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.552 3.028 19108 994 1 2 . 1 1 21 21 ASN H H 21 7.362 7.362 7.790 -0.428 19108 995 1 2 . 1 1 22 22 PHE N N 22 117.773 117.773 115.065 2.708 19108 996 1 2 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.511 -0.238 19108 997 1 2 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.164 -0.704 19108 998 1 2 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.410 -1.580 19108 999 1 2 . 1 1 22 22 PHE H H 22 8.296 8.296 7.603 0.693 19108 1000 1 2 . 1 1 23 23 ASN N N 23 115.026 115.026 121.194 -6.168 19108 1001 1 2 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.650 -0.121 19108 1002 1 2 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.563 1.079 19108 1003 1 2 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.559 -1.936 19108 1004 1 2 . 1 1 23 23 ASN H H 23 6.097 6.097 7.468 -1.371 19108 1005 1 2 . 1 1 24 24 ASN N N 24 122.900 122.900 124.388 -1.488 19108 1006 1 2 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.423 0.010 19108 1007 1 2 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.182 -0.909 19108 1008 1 2 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.291 -0.399 19108 1009 1 2 . 1 1 24 24 ASN H H 24 7.083 7.083 8.265 -1.182 19108 1010 1 2 . 1 1 25 25 GLY N N 25 105.587 105.587 110.233 -4.646 19108 1011 1 2 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.659 0.206 19108 1012 1 2 . 1 1 25 25 GLY H H 25 8.520 8.520 8.160 0.360 19108 1013 1 2 . 1 1 26 26 ILE N N 26 120.182 120.182 117.321 2.861 19108 1014 1 2 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.601 -0.427 19108 1015 1 2 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.895 0.548 19108 1016 1 2 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.620 1.895 19108 1017 1 2 . 1 1 26 26 ILE H H 26 6.944 6.944 7.572 -0.628 19108 1018 1 2 . 1 1 27 27 GLY N N 27 111.665 111.665 107.870 3.795 19108 1019 1 2 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.967 0.352 19108 1020 1 2 . 1 1 27 27 GLY H H 27 8.457 8.457 8.676 -0.219 19108 1021 1 2 . 1 1 28 28 ARG N N 28 117.565 117.565 120.385 -2.820 19108 1022 1 2 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.141 -1.576 19108 1023 1 2 . 1 1 28 28 ARG H H 28 6.741 6.741 8.017 -1.276 19108 1024 1 2 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.468 1.535 19108 1025 1 2 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.284 -0.240 19108 1026 1 2 . 1 1 29 29 HIS H H 29 8.636 8.636 8.667 -0.031 19108 1027 1 2 . 1 1 30 30 LYS N N 30 119.344 119.344 124.474 -5.130 19108 1028 1 2 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.340 0.081 19108 1029 1 2 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.531 1.333 19108 1030 1 2 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.201 1.990 19108 1031 1 2 . 1 1 30 30 LYS H H 30 7.870 7.870 7.874 -0.004 19108 1032 1 2 . 1 1 31 31 THR N N 31 118.233 118.233 112.746 5.487 19108 1033 1 2 . 1 1 31 31 THR HA H 31 4.125 4.125 3.271 0.854 19108 1034 1 2 . 1 1 31 31 THR CA C 31 63.175 63.175 63.034 0.141 19108 1035 1 2 . 1 1 31 31 THR H H 31 8.436 8.436 7.312 1.124 19108 1036 1 2 . 1 1 32 32 TYR N N 32 124.026 124.026 125.551 -1.525 19108 1037 1 2 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.785 0.151 19108 1038 1 2 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.865 -0.364 19108 1039 1 2 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.679 2.725 19108 1040 1 2 . 1 1 32 32 TYR H H 32 8.244 8.244 8.129 0.115 19108 1041 1 2 . 1 1 33 33 LEU N N 33 125.428 125.428 127.002 -1.574 19108 1042 1 2 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.293 -0.214 19108 1043 1 2 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.721 1.117 19108 1044 1 2 . 1 1 33 33 LEU CB C 33 46.984 46.984 44.955 2.029 19108 1045 1 2 . 1 1 33 33 LEU H H 33 9.232 9.232 8.642 0.590 19108 1046 1 2 . 1 1 34 34 CYS N N 34 125.975 125.975 127.951 -1.976 19108 1047 1 2 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.568 0.438 19108 1048 1 2 . 1 1 34 34 CYS CA C 34 57.145 57.145 57.324 -0.179 19108 1049 1 2 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.745 0.557 19108 1050 1 2 . 1 1 34 34 CYS H H 34 9.640 9.640 8.959 0.681 19108 1051 1 2 . 1 1 35 35 TYR N N 35 121.183 121.183 125.491 -4.308 19108 1052 1 2 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.199 1.289 19108 1053 1 2 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.964 -0.182 19108 1054 1 2 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.296 2.794 19108 1055 1 2 . 1 1 35 35 TYR H H 35 9.094 9.094 8.436 0.658 19108 1056 1 2 . 1 1 36 36 GLU N N 36 115.538 115.538 122.723 -7.185 19108 1057 1 2 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.968 0.467 19108 1058 1 2 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.390 1.001 19108 1059 1 2 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.156 0.388 19108 1060 1 2 . 1 1 36 36 GLU H H 36 8.977 8.977 8.359 0.618 19108 1061 1 2 . 1 1 37 37 VAL N N 37 121.600 121.600 126.385 -4.785 19108 1062 1 2 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.458 0.701 19108 1063 1 2 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.500 -0.452 19108 1064 1 2 . 1 1 37 37 VAL CB C 37 35.070 35.070 32.834 2.236 19108 1065 1 2 . 1 1 37 37 VAL H H 37 9.271 9.271 8.905 0.366 19108 1066 1 2 . 1 1 38 38 GLU N N 38 125.227 125.227 125.551 -0.324 19108 1067 1 2 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.000 0.218 19108 1068 1 2 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.507 -0.255 19108 1069 1 2 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.462 0.466 19108 1070 1 2 . 1 1 38 38 GLU H H 38 9.114 9.114 8.500 0.614 19108 1071 1 2 . 1 1 39 39 ARG N N 39 124.872 124.872 122.274 2.598 19108 1072 1 2 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.731 0.634 19108 1073 1 2 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.583 0.664 19108 1074 1 2 . 1 1 39 39 ARG CB C 39 32.565 32.565 33.767 -1.202 19108 1075 1 2 . 1 1 39 39 ARG H H 39 9.215 9.215 8.371 0.844 19108 1076 1 2 . 1 1 40 40 LEU N N 40 126.510 126.510 125.109 1.401 19108 1077 1 2 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.368 0.385 19108 1078 1 2 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.798 -0.475 19108 1079 1 2 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.857 -2.014 19108 1080 1 2 . 1 1 40 40 LEU H H 40 8.659 8.659 7.805 0.854 19108 1081 1 2 . 1 1 41 41 ASP N N 41 124.410 124.410 121.768 2.642 19108 1082 1 2 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.796 -0.003 19108 1083 1 2 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.940 -0.722 19108 1084 1 2 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.807 -1.074 19108 1085 1 2 . 1 1 41 41 ASP H H 41 8.575 8.575 8.043 0.532 19108 1086 1 2 . 1 1 42 42 ASN N N 42 123.319 123.319 122.399 0.920 19108 1087 1 2 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.351 0.069 19108 1088 1 2 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.324 0.849 19108 1089 1 2 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.560 -0.713 19108 1090 1 2 . 1 1 42 42 ASN H H 42 9.048 9.048 9.044 0.004 19108 1091 1 2 . 1 1 43 43 GLY N N 43 106.044 106.044 102.853 3.191 19108 1092 1 2 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.188 0.206 19108 1093 1 2 . 1 1 43 43 GLY H H 43 8.548 8.548 8.226 0.322 19108 1094 1 2 . 1 1 44 44 THR N N 44 115.893 115.893 120.877 -4.984 19108 1095 1 2 . 1 1 44 44 THR HA H 44 4.524 4.524 4.362 0.162 19108 1096 1 2 . 1 1 44 44 THR CA C 44 61.285 61.285 61.955 -0.670 19108 1097 1 2 . 1 1 44 44 THR CB C 44 70.572 70.572 68.972 1.600 19108 1098 1 2 . 1 1 44 44 THR H H 44 7.833 7.833 7.898 -0.065 19108 1099 1 2 . 1 1 45 45 SER N N 45 119.589 119.589 123.610 -4.021 19108 1100 1 2 . 1 1 45 45 SER HA H 45 4.804 4.804 4.655 0.149 19108 1101 1 2 . 1 1 45 45 SER CA C 45 58.080 58.080 58.094 -0.014 19108 1102 1 2 . 1 1 45 45 SER CB C 45 64.265 64.265 63.524 0.741 19108 1103 1 2 . 1 1 45 45 SER H H 45 8.590 8.590 8.709 -0.119 19108 1104 1 2 . 1 1 46 46 VAL N N 46 125.827 125.827 126.949 -1.122 19108 1105 1 2 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.272 0.021 19108 1106 1 2 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.548 1.295 19108 1107 1 2 . 1 1 46 46 VAL CB C 46 33.517 33.517 31.574 1.943 19108 1108 1 2 . 1 1 46 46 VAL H H 46 9.034 9.034 9.021 0.013 19108 1109 1 2 . 1 1 47 47 LYS N N 47 126.528 126.528 126.756 -0.228 19108 1110 1 2 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.370 -0.085 19108 1111 1 2 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.396 1.269 19108 1112 1 2 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.934 -0.142 19108 1113 1 2 . 1 1 47 47 LYS H H 47 8.738 8.738 8.416 0.322 19108 1114 1 2 . 1 1 48 48 MET N N 48 122.645 122.645 121.561 1.084 19108 1115 1 2 . 1 1 48 48 MET HA H 48 5.195 5.195 4.631 0.564 19108 1116 1 2 . 1 1 48 48 MET CA C 48 54.747 54.747 55.007 -0.260 19108 1117 1 2 . 1 1 48 48 MET CB C 48 32.379 32.379 34.253 -1.874 19108 1118 1 2 . 1 1 48 48 MET H H 48 8.334 8.334 8.303 0.031 19108 1119 1 2 . 1 1 49 49 ASP N N 49 123.713 123.713 120.444 3.269 19108 1120 1 2 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.524 -0.100 19108 1121 1 2 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.685 0.925 19108 1122 1 2 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.655 0.379 19108 1123 1 2 . 1 1 49 49 ASP H H 49 8.575 8.575 8.854 -0.279 19108 1124 1 2 . 1 1 50 50 GLN N N 50 117.540 117.540 118.442 -0.902 19108 1125 1 2 . 1 1 50 50 GLN H H 50 9.110 9.110 8.326 0.784 19108 1126 1 2 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.761 0.390 19108 1127 1 2 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.405 -1.571 19108 1128 1 2 . 1 1 51 51 HIS H H 51 8.031 8.031 8.074 -0.043 19108 1129 1 2 . 1 1 52 52 ARG N N 52 117.888 117.888 119.065 -1.177 19108 1130 1 2 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.752 0.485 19108 1131 1 2 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.425 0.630 19108 1132 1 2 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.751 0.303 19108 1133 1 2 . 1 1 52 52 ARG H H 52 7.685 7.685 7.470 0.215 19108 1134 1 2 . 1 1 53 53 GLY N N 53 108.573 108.573 105.712 2.861 19108 1135 1 2 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.184 0.524 19108 1136 1 2 . 1 1 53 53 GLY H H 53 7.529 7.529 7.309 0.220 19108 1137 1 2 . 1 1 54 54 PHE N N 54 113.146 113.146 116.029 -2.883 19108 1138 1 2 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.500 0.495 19108 1139 1 2 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.233 -0.377 19108 1140 1 2 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.700 2.663 19108 1141 1 2 . 1 1 54 54 PHE H H 54 8.287 8.287 7.605 0.682 19108 1142 1 2 . 1 1 55 55 LEU N N 55 119.389 119.389 120.412 -1.023 19108 1143 1 2 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.281 0.414 19108 1144 1 2 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.099 0.613 19108 1145 1 2 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.711 0.917 19108 1146 1 2 . 1 1 55 55 LEU H H 55 9.452 9.452 8.483 0.969 19108 1147 1 2 . 1 1 56 56 HIS N N 56 114.176 114.176 115.315 -1.139 19108 1148 1 2 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.373 0.066 19108 1149 1 2 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.007 0.458 19108 1150 1 2 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.824 -0.357 19108 1151 1 2 . 1 1 56 56 HIS H H 56 7.709 7.709 7.500 0.209 19108 1152 1 2 . 1 1 57 57 ASN N N 57 116.522 116.522 119.809 -3.287 19108 1153 1 2 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.497 -0.082 19108 1154 1 2 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.446 0.738 19108 1155 1 2 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.689 -1.027 19108 1156 1 2 . 1 1 57 57 ASN H H 57 8.684 8.684 7.824 0.860 19108 1157 1 2 . 1 1 58 58 GLN N N 58 122.850 122.850 115.113 7.737 19108 1158 1 2 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.054 0.335 19108 1159 1 2 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.545 -2.692 19108 1160 1 2 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.529 1.853 19108 1161 1 2 . 1 1 58 58 GLN H H 58 9.099 9.099 7.964 1.135 19108 1162 1 2 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.387 -0.087 19108 1163 1 2 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.164 0.340 19108 1164 1 2 . 1 1 59 59 ALA CB C 59 19.421 19.421 21.633 -2.212 19108 1165 1 2 . 1 1 60 60 LYS N N 60 119.998 119.998 120.154 -0.156 19108 1166 1 2 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.013 -0.237 19108 1167 1 2 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.649 -0.348 19108 1168 1 2 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.069 0.747 19108 1169 1 2 . 1 1 60 60 LYS H H 60 8.344 8.344 7.956 0.388 19108 1170 1 2 . 1 1 61 61 ASN N N 61 119.688 119.688 120.627 -0.939 19108 1171 1 2 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.846 -0.391 19108 1172 1 2 . 1 1 61 61 ASN CA C 61 52.904 52.904 51.901 1.003 19108 1173 1 2 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.603 -1.066 19108 1174 1 2 . 1 1 61 61 ASN H H 61 8.643 8.643 8.483 0.160 19108 1175 1 2 . 1 1 62 62 LEU N N 62 124.761 124.761 124.212 0.549 19108 1176 1 2 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.042 -0.108 19108 1177 1 2 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.416 -0.171 19108 1178 1 2 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.059 -0.116 19108 1179 1 2 . 1 1 62 62 LEU H H 62 8.873 8.873 8.818 0.055 19108 1180 1 2 . 1 1 63 63 LEU N N 63 120.312 120.312 119.231 1.081 19108 1181 1 2 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.141 0.058 19108 1182 1 2 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.490 -0.413 19108 1183 1 2 . 1 1 63 63 LEU CB C 63 41.257 41.257 42.306 -1.049 19108 1184 1 2 . 1 1 63 63 LEU H H 63 8.145 8.145 7.493 0.652 19108 1185 1 2 . 1 1 64 64 CYS N N 64 113.898 113.898 116.592 -2.694 19108 1186 1 2 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.511 -0.340 19108 1187 1 2 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.548 -1.764 19108 1188 1 2 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.751 -1.033 19108 1189 1 2 . 1 1 64 64 CYS H H 64 7.376 7.376 8.393 -1.017 19108 1190 1 2 . 1 1 65 65 GLY N N 65 108.894 108.894 109.814 -0.920 19108 1191 1 2 . 1 1 65 65 GLY CA C 65 45.983 45.983 46.025 -0.042 19108 1192 1 2 . 1 1 65 65 GLY H H 65 7.789 7.789 8.654 -0.865 19108 1193 1 2 . 1 1 66 66 PHE N N 66 118.711 118.711 117.311 1.400 19108 1194 1 2 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.582 -0.665 19108 1195 1 2 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.123 -0.183 19108 1196 1 2 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.259 0.009 19108 1197 1 2 . 1 1 66 66 PHE H H 66 7.699 7.699 7.652 0.047 19108 1198 1 2 . 1 1 67 67 TYR N N 67 124.623 124.623 122.504 2.119 19108 1199 1 2 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.449 -0.149 19108 1200 1 2 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.586 0.178 19108 1201 1 2 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.219 -1.066 19108 1202 1 2 . 1 1 67 67 TYR H H 67 8.568 8.568 8.387 0.181 19108 1203 1 2 . 1 1 69 69 ARG N N 69 121.427 121.427 124.071 -2.644 19108 1204 1 2 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.925 2.132 19108 1205 1 2 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.351 -1.055 19108 1206 1 2 . 1 1 69 69 ARG H H 69 8.313 8.313 8.590 -0.277 19108 1207 1 2 . 1 1 70 70 HIS N N 70 128.351 128.351 121.963 6.388 19108 1208 1 2 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.389 0.393 19108 1209 1 2 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.625 1.091 19108 1210 1 2 . 1 1 70 70 HIS CB C 70 31.776 31.776 29.742 2.034 19108 1211 1 2 . 1 1 70 70 HIS H H 70 9.182 9.182 9.152 0.030 19108 1212 1 2 . 1 1 71 71 ALA N N 71 125.649 125.649 126.882 -1.233 19108 1213 1 2 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.119 -0.762 19108 1214 1 2 . 1 1 71 71 ALA CA C 71 55.782 55.782 53.140 2.642 19108 1215 1 2 . 1 1 71 71 ALA CB C 71 18.010 18.010 19.002 -0.992 19108 1216 1 2 . 1 1 71 71 ALA H H 71 8.968 8.968 8.905 0.063 19108 1217 1 2 . 1 1 72 72 GLU N N 72 119.941 119.941 118.536 1.405 19108 1218 1 2 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.692 -0.715 19108 1219 1 2 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.397 1.560 19108 1220 1 2 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.886 -0.880 19108 1221 1 2 . 1 1 72 72 GLU H H 72 12.692 12.692 8.510 4.182 19108 1222 1 2 . 1 1 73 73 LEU N N 73 114.882 114.882 118.030 -3.148 19108 1223 1 2 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.957 -0.372 19108 1224 1 2 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.072 -0.411 19108 1225 1 2 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.505 -2.260 19108 1226 1 2 . 1 1 73 73 LEU H H 73 6.637 6.637 7.141 -0.504 19108 1227 1 2 . 1 1 74 74 ARG N N 74 117.799 117.799 119.203 -1.404 19108 1228 1 2 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.053 -0.011 19108 1229 1 2 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.857 -0.682 19108 1230 1 2 . 1 1 74 74 ARG H H 74 7.556 7.556 7.976 -0.420 19108 1231 1 2 . 1 1 75 75 PHE N N 75 119.783 119.783 119.665 0.118 19108 1232 1 2 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.075 -0.514 19108 1233 1 2 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.866 1.808 19108 1234 1 2 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.012 -0.974 19108 1235 1 2 . 1 1 75 75 PHE H H 75 8.233 8.233 7.438 0.795 19108 1236 1 2 . 1 1 76 76 LEU N N 76 119.526 119.526 119.530 -0.004 19108 1237 1 2 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.049 0.509 19108 1238 1 2 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.922 1.117 19108 1239 1 2 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.037 -2.021 19108 1240 1 2 . 1 1 76 76 LEU H H 76 7.629 7.629 7.479 0.150 19108 1241 1 2 . 1 1 77 77 ASP N N 77 118.215 118.215 121.009 -2.794 19108 1242 1 2 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.221 -0.063 19108 1243 1 2 . 1 1 77 77 ASP CA C 77 56.400 56.400 57.025 -0.625 19108 1244 1 2 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.865 -0.497 19108 1245 1 2 . 1 1 77 77 ASP H H 77 8.190 8.190 8.221 -0.031 19108 1246 1 2 . 1 1 78 78 LEU N N 78 117.496 117.496 114.884 2.612 19108 1247 1 2 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.365 -0.075 19108 1248 1 2 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.614 -0.629 19108 1249 1 2 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.022 1.379 19108 1250 1 2 . 1 1 78 78 LEU H H 78 7.252 7.252 7.219 0.033 19108 1251 1 2 . 1 1 79 79 VAL N N 79 120.915 120.915 122.668 -1.753 19108 1252 1 2 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.471 -0.248 19108 1253 1 2 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.688 -0.160 19108 1254 1 2 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.018 0.102 19108 1255 1 2 . 1 1 79 79 VAL H H 79 7.179 7.179 8.114 -0.935 19108 1256 1 2 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.277 -0.302 19108 1257 1 2 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.750 1.037 19108 1258 1 2 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.910 -1.102 19108 1259 1 2 . 1 1 81 81 SER N N 81 112.727 112.727 112.602 0.125 19108 1260 1 2 . 1 1 81 81 SER HA H 81 4.314 4.314 4.277 0.037 19108 1261 1 2 . 1 1 81 81 SER CA C 81 60.618 60.618 60.514 0.104 19108 1262 1 2 . 1 1 81 81 SER CB C 81 63.450 63.450 62.986 0.464 19108 1263 1 2 . 1 1 81 81 SER H H 81 7.828 7.828 7.920 -0.092 19108 1264 1 2 . 1 1 82 82 LEU N N 82 120.918 120.918 118.968 1.950 19108 1265 1 2 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.639 -0.765 19108 1266 1 2 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.005 0.487 19108 1267 1 2 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.122 -2.911 19108 1268 1 2 . 1 1 82 82 LEU H H 82 7.912 7.912 7.837 0.075 19108 1269 1 2 . 1 1 83 83 GLN N N 83 111.397 111.397 117.931 -6.534 19108 1270 1 2 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.981 -0.173 19108 1271 1 2 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.045 0.121 19108 1272 1 2 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.349 -0.681 19108 1273 1 2 . 1 1 83 83 GLN H H 83 7.458 7.458 7.651 -0.193 19108 1274 1 2 . 1 1 84 84 LEU N N 84 118.520 118.520 120.739 -2.219 19108 1275 1 2 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.202 -0.483 19108 1276 1 2 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.688 -0.946 19108 1277 1 2 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.259 -3.014 19108 1278 1 2 . 1 1 84 84 LEU H H 84 8.736 8.736 8.090 0.646 19108 1279 1 2 . 1 1 85 85 ASP N N 85 126.187 126.187 125.407 0.780 19108 1280 1 2 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.927 -0.044 19108 1281 1 2 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.756 -0.410 19108 1282 1 2 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.009 1.939 19108 1283 1 2 . 1 1 85 85 ASP H H 85 8.415 8.415 8.653 -0.238 19108 1284 1 2 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.209 -0.281 19108 1285 1 2 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.345 0.293 19108 1286 1 2 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.853 -0.567 19108 1287 1 2 . 1 1 87 87 ALA N N 87 121.030 121.030 122.920 -1.890 19108 1288 1 2 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.108 0.310 19108 1289 1 2 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.976 -1.804 19108 1290 1 2 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.878 0.470 19108 1291 1 2 . 1 1 87 87 ALA H H 87 8.504 8.504 7.925 0.579 19108 1292 1 2 . 1 1 88 88 GLN N N 88 119.601 119.601 116.651 2.950 19108 1293 1 2 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.377 0.145 19108 1294 1 2 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.713 -1.279 19108 1295 1 2 . 1 1 88 88 GLN CB C 88 30.049 30.049 29.882 0.167 19108 1296 1 2 . 1 1 88 88 GLN H H 88 8.125 8.125 8.199 -0.074 19108 1297 1 2 . 1 1 89 89 ILE N N 89 118.195 118.195 117.311 0.884 19108 1298 1 2 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.305 0.664 19108 1299 1 2 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.604 -1.063 19108 1300 1 2 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.334 -0.082 19108 1301 1 2 . 1 1 89 89 ILE H H 89 8.099 8.099 8.123 -0.024 19108 1302 1 2 . 1 1 90 90 TYR N N 90 122.421 122.421 122.366 0.055 19108 1303 1 2 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.920 0.441 19108 1304 1 2 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.164 -1.124 19108 1305 1 2 . 1 1 90 90 TYR CB C 90 42.826 42.826 42.911 -0.085 19108 1306 1 2 . 1 1 90 90 TYR H H 90 8.892 8.892 8.010 0.882 19108 1307 1 2 . 1 1 91 91 ARG N N 91 121.043 121.043 123.496 -2.453 19108 1308 1 2 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.278 -0.035 19108 1309 1 2 . 1 1 91 91 ARG CA C 91 54.535 54.535 54.604 -0.069 19108 1310 1 2 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.193 -0.061 19108 1311 1 2 . 1 1 91 91 ARG H H 91 9.327 9.327 9.119 0.208 19108 1312 1 2 . 1 1 92 92 VAL N N 92 132.287 132.287 128.531 3.756 19108 1313 1 2 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.048 -0.124 19108 1314 1 2 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.171 -0.266 19108 1315 1 2 . 1 1 92 92 VAL CB C 92 32.853 32.853 34.939 -2.086 19108 1316 1 2 . 1 1 92 92 VAL H H 92 9.668 9.668 8.507 1.161 19108 1317 1 2 . 1 1 93 93 THR N N 93 124.468 124.468 124.826 -0.358 19108 1318 1 2 . 1 1 93 93 THR HA H 93 5.264 5.264 4.638 0.626 19108 1319 1 2 . 1 1 93 93 THR CA C 93 61.616 61.616 61.935 -0.319 19108 1320 1 2 . 1 1 93 93 THR CB C 93 70.082 70.082 69.390 0.692 19108 1321 1 2 . 1 1 93 93 THR H H 93 9.381 9.381 8.564 0.817 19108 1322 1 2 . 1 1 94 94 TRP N N 94 124.491 124.491 127.518 -3.027 19108 1323 1 2 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.028 0.638 19108 1324 1 2 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.838 -2.633 19108 1325 1 2 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.957 2.711 19108 1326 1 2 . 1 1 94 94 TRP H H 94 9.071 9.071 9.044 0.027 19108 1327 1 2 . 1 1 95 95 PHE N N 95 122.179 122.179 122.818 -0.639 19108 1328 1 2 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.030 0.640 19108 1329 1 2 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.370 -0.596 19108 1330 1 2 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.537 -1.088 19108 1331 1 2 . 1 1 95 95 PHE H H 95 9.578 9.578 8.687 0.891 19108 1332 1 2 . 1 1 96 96 ILE N N 96 125.072 125.072 121.658 3.414 19108 1333 1 2 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.208 0.765 19108 1334 1 2 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.878 -1.451 19108 1335 1 2 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.013 5.060 19108 1336 1 2 . 1 1 96 96 ILE H H 96 9.816 9.816 9.293 0.523 19108 1337 1 2 . 1 1 97 97 SER N N 97 124.020 124.020 120.025 3.995 19108 1338 1 2 . 1 1 97 97 SER HA H 97 3.623 3.623 4.676 -1.053 19108 1339 1 2 . 1 1 97 97 SER CA C 97 61.750 61.750 59.835 1.915 19108 1340 1 2 . 1 1 97 97 SER CB C 97 63.711 63.711 63.861 -0.151 19108 1341 1 2 . 1 1 97 97 SER H H 97 9.156 9.156 8.604 0.552 19108 1342 1 2 . 1 1 98 98 TRP N N 98 114.829 114.829 121.703 -6.874 19108 1343 1 2 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.280 0.059 19108 1344 1 2 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.713 -2.042 19108 1345 1 2 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.496 3.255 19108 1346 1 2 . 1 1 98 98 TRP H H 98 6.619 6.619 7.850 -1.231 19108 1347 1 2 . 1 1 99 99 SER N N 99 115.444 115.444 120.612 -5.168 19108 1348 1 2 . 1 1 99 99 SER CA C 99 58.045 58.045 57.939 0.106 19108 1349 1 2 . 1 1 99 99 SER CB C 99 61.927 61.927 62.322 -0.395 19108 1350 1 2 . 1 1 99 99 SER H H 99 8.590 8.590 8.228 0.362 19108 1351 1 2 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.523 -1.598 19108 1352 1 2 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.313 2.483 19108 1353 1 2 . 1 1 101 101 CYS N N 101 121.768 121.768 117.460 4.308 19108 1354 1 2 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.681 0.978 19108 1355 1 2 . 1 1 101 101 CYS CB C 101 30.189 30.189 30.280 -0.091 19108 1356 1 2 . 1 1 101 101 CYS H H 101 8.686 8.686 8.116 0.570 19108 1357 1 2 . 1 1 102 102 PHE N N 102 115.031 115.031 121.509 -6.478 19108 1358 1 2 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.395 2.565 19108 1359 1 2 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.000 -1.843 19108 1360 1 2 . 1 1 102 102 PHE H H 102 9.318 9.318 7.841 1.477 19108 1361 1 2 . 1 1 103 103 SER N N 103 119.552 119.552 124.150 -4.598 19108 1362 1 2 . 1 1 103 103 SER HA H 103 3.713 3.713 4.187 -0.474 19108 1363 1 2 . 1 1 103 103 SER CA C 103 63.368 63.368 62.258 1.111 19108 1364 1 2 . 1 1 103 103 SER CB C 103 60.539 60.539 63.415 -2.876 19108 1365 1 2 . 1 1 103 103 SER H H 103 10.858 10.858 9.062 1.796 19108 1366 1 2 . 1 1 104 104 TRP N N 104 117.909 117.909 123.357 -5.448 19108 1367 1 2 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.838 -1.062 19108 1368 1 2 . 1 1 104 104 TRP CA C 104 59.214 59.214 57.826 1.388 19108 1369 1 2 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.706 -0.820 19108 1370 1 2 . 1 1 104 104 TRP H H 104 7.880 7.880 8.478 -0.598 19108 1371 1 2 . 1 1 105 105 GLY N N 105 106.359 106.359 108.601 -2.242 19108 1372 1 2 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.918 -0.837 19108 1373 1 2 . 1 1 105 105 GLY H H 105 7.468 7.468 8.714 -1.246 19108 1374 1 2 . 1 1 106 106 CYS N N 106 120.359 120.359 121.390 -1.031 19108 1375 1 2 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.801 -0.942 19108 1376 1 2 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.363 5.739 19108 1377 1 2 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.586 2.132 19108 1378 1 2 . 1 1 106 106 CYS H H 106 7.366 7.366 8.402 -1.036 19108 1379 1 2 . 1 1 107 107 ALA N N 107 119.725 119.725 124.018 -4.293 19108 1380 1 2 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.113 -0.248 19108 1381 1 2 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.001 1.933 19108 1382 1 2 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.085 0.358 19108 1383 1 2 . 1 1 107 107 ALA H H 107 8.719 8.719 8.571 0.148 19108 1384 1 2 . 1 1 108 108 GLY N N 108 103.829 103.829 106.865 -3.036 19108 1385 1 2 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.071 -0.177 19108 1386 1 2 . 1 1 108 108 GLY H H 108 8.555 8.555 8.376 0.179 19108 1387 1 2 . 1 1 109 109 GLU N N 109 123.162 123.162 122.192 0.970 19108 1388 1 2 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.160 0.105 19108 1389 1 2 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.890 0.402 19108 1390 1 2 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.582 0.800 19108 1391 1 2 . 1 1 109 109 GLU H H 109 8.023 8.023 7.839 0.184 19108 1392 1 2 . 1 1 110 110 VAL N N 110 121.866 121.866 119.705 2.161 19108 1393 1 2 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.689 0.010 19108 1394 1 2 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.700 0.343 19108 1395 1 2 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.783 -0.777 19108 1396 1 2 . 1 1 110 110 VAL H H 110 8.942 8.942 7.699 1.243 19108 1397 1 2 . 1 1 111 111 ARG N N 111 120.587 120.587 119.239 1.348 19108 1398 1 2 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.952 -0.166 19108 1399 1 2 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.294 0.787 19108 1400 1 2 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.307 -0.132 19108 1401 1 2 . 1 1 111 111 ARG H H 111 8.653 8.653 7.979 0.673 19108 1402 1 2 . 1 1 112 112 ALA N N 112 120.687 120.687 122.614 -1.927 19108 1403 1 2 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.118 0.016 19108 1404 1 2 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.922 0.496 19108 1405 1 2 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.136 -0.145 19108 1406 1 2 . 1 1 112 112 ALA H H 112 7.875 7.875 8.224 -0.349 19108 1407 1 2 . 1 1 113 113 PHE N N 113 118.950 118.950 119.726 -0.776 19108 1408 1 2 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.554 -0.217 19108 1409 1 2 . 1 1 113 113 PHE CA C 113 61.376 61.376 60.731 0.645 19108 1410 1 2 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.516 -0.129 19108 1411 1 2 . 1 1 113 113 PHE H H 113 8.139 8.139 7.737 0.402 19108 1412 1 2 . 1 1 114 114 LEU N N 114 120.595 120.595 119.454 1.141 19108 1413 1 2 . 1 1 114 114 LEU HA H 114 3.800 3.800 4.110 -0.310 19108 1414 1 2 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.120 0.013 19108 1415 1 2 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.711 -0.802 19108 1416 1 2 . 1 1 114 114 LEU H H 114 8.639 8.639 8.255 0.384 19108 1417 1 2 . 1 1 115 115 GLN N N 115 117.666 117.666 117.245 0.421 19108 1418 1 2 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.027 -0.004 19108 1419 1 2 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.544 -0.158 19108 1420 1 2 . 1 1 115 115 GLN CB C 115 28.538 28.538 29.001 -0.463 19108 1421 1 2 . 1 1 115 115 GLN H H 115 8.167 8.167 8.237 -0.070 19108 1422 1 2 . 1 1 116 116 GLU N N 116 115.380 115.380 115.163 0.217 19108 1423 1 2 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.307 0.015 19108 1424 1 2 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.404 0.658 19108 1425 1 2 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.664 0.051 19108 1426 1 2 . 1 1 116 116 GLU H H 116 7.448 7.448 7.732 -0.284 19108 1427 1 2 . 1 1 117 117 ASN N N 117 119.831 119.831 118.153 1.678 19108 1428 1 2 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.778 0.287 19108 1429 1 2 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.836 -0.651 19108 1430 1 2 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.894 -0.648 19108 1431 1 2 . 1 1 117 117 ASN H H 117 7.632 7.632 7.518 0.114 19108 1432 1 2 . 1 1 118 118 THR N N 118 111.041 111.041 115.672 -4.631 19108 1433 1 2 . 1 1 118 118 THR HA H 118 4.317 4.317 4.171 0.146 19108 1434 1 2 . 1 1 118 118 THR CA C 118 64.081 64.081 63.665 0.416 19108 1435 1 2 . 1 1 118 118 THR CB C 118 68.767 68.767 68.263 0.504 19108 1436 1 2 . 1 1 118 118 THR H H 118 8.054 8.054 8.302 -0.248 19108 1437 1 2 . 1 1 119 119 HIS N N 119 120.403 120.403 118.014 2.389 19108 1438 1 2 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.558 -0.269 19108 1439 1 2 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.866 0.735 19108 1440 1 2 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.964 0.356 19108 1441 1 2 . 1 1 119 119 HIS H H 119 9.248 9.248 7.935 1.313 19108 1442 1 2 . 1 1 120 120 VAL N N 120 120.001 120.001 119.456 0.545 19108 1443 1 2 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.567 -0.041 19108 1444 1 2 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.669 1.221 19108 1445 1 2 . 1 1 120 120 VAL CB C 120 32.995 32.995 32.907 0.088 19108 1446 1 2 . 1 1 120 120 VAL H H 120 7.379 7.379 7.354 0.025 19108 1447 1 2 . 1 1 121 121 ARG N N 121 125.312 125.312 128.829 -3.517 19108 1448 1 2 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.554 0.256 19108 1449 1 2 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.456 -1.389 19108 1450 1 2 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.575 -1.995 19108 1451 1 2 . 1 1 121 121 ARG H H 121 8.775 8.775 8.093 0.682 19108 1452 1 2 . 1 1 122 122 LEU N N 122 125.483 125.483 117.658 7.825 19108 1453 1 2 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.156 0.004 19108 1454 1 2 . 1 1 122 122 LEU CA C 122 53.301 53.301 52.997 0.304 19108 1455 1 2 . 1 1 122 122 LEU CB C 122 46.672 46.672 45.013 1.659 19108 1456 1 2 . 1 1 122 122 LEU H H 122 9.345 9.345 8.308 1.037 19108 1457 1 2 . 1 1 123 123 ARG N N 123 127.748 127.748 118.110 9.638 19108 1458 1 2 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.348 0.388 19108 1459 1 2 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.645 -0.478 19108 1460 1 2 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.049 0.763 19108 1461 1 2 . 1 1 123 123 ARG H H 123 9.053 9.053 7.960 1.093 19108 1462 1 2 . 1 1 124 124 ILE N N 124 123.665 123.665 122.565 1.100 19108 1463 1 2 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.120 0.322 19108 1464 1 2 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.006 0.753 19108 1465 1 2 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.219 1.674 19108 1466 1 2 . 1 1 124 124 ILE H H 124 9.019 9.019 8.480 0.539 19108 1467 1 2 . 1 1 125 125 PHE N N 125 126.320 126.320 126.701 -0.381 19108 1468 1 2 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.467 -0.302 19108 1469 1 2 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.688 0.226 19108 1470 1 2 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.823 -1.004 19108 1471 1 2 . 1 1 125 125 PHE H H 125 9.359 9.359 8.067 1.292 19108 1472 1 2 . 1 1 126 126 ALA N N 126 124.526 124.526 127.526 -3.000 19108 1473 1 2 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.230 0.586 19108 1474 1 2 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.197 -1.327 19108 1475 1 2 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.702 0.632 19108 1476 1 2 . 1 1 126 126 ALA H H 126 9.091 9.091 8.528 0.563 19108 1477 1 2 . 1 1 127 127 ALA N N 127 126.272 126.272 128.041 -1.769 19108 1478 1 2 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.469 0.282 19108 1479 1 2 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.762 1.706 19108 1480 1 2 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.834 -0.229 19108 1481 1 2 . 1 1 127 127 ALA H H 127 9.049 9.049 9.235 -0.186 19108 1482 1 2 . 1 1 128 128 ARG N N 128 108.570 108.570 118.217 -9.647 19108 1483 1 2 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.629 -0.215 19108 1484 1 2 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.092 4.114 19108 1485 1 2 . 1 1 128 128 ARG H H 128 6.741 6.741 7.448 -0.707 19108 1486 1 2 . 1 1 129 129 ILE N N 129 121.285 121.285 123.950 -2.665 19108 1487 1 2 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.294 -0.003 19108 1488 1 2 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.456 0.411 19108 1489 1 2 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.668 1.161 19108 1490 1 2 . 1 1 129 129 ILE H H 129 8.340 8.340 8.365 -0.025 19108 1491 1 2 . 1 1 130 130 TYR N N 130 130.143 130.143 128.450 1.693 19108 1492 1 2 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.427 0.908 19108 1493 1 2 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.148 -0.222 19108 1494 1 2 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.794 -3.631 19108 1495 1 2 . 1 1 130 130 TYR H H 130 8.870 8.870 8.906 -0.036 19108 1496 1 2 . 1 1 131 131 ASP N N 131 123.662 123.662 126.964 -3.302 19108 1497 1 2 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.599 -0.932 19108 1498 1 2 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.044 0.669 19108 1499 1 2 . 1 1 131 131 ASP CB C 131 38.901 38.901 38.647 0.254 19108 1500 1 2 . 1 1 131 131 ASP H H 131 8.123 8.123 7.951 0.172 19108 1501 1 2 . 1 1 132 132 TYR N N 132 116.852 116.852 122.272 -5.420 19108 1502 1 2 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.568 -0.653 19108 1503 1 2 . 1 1 132 132 TYR CA C 132 59.468 59.468 60.496 -1.028 19108 1504 1 2 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.955 -0.918 19108 1505 1 2 . 1 1 132 132 TYR H H 132 6.448 6.448 8.205 -1.757 19108 1506 1 2 . 1 1 133 133 ASP N N 133 116.930 116.930 114.315 2.615 19108 1507 1 2 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.466 -2.301 19108 1508 1 2 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.529 2.253 19108 1509 1 2 . 1 1 133 133 ASP H H 133 7.005 7.005 7.919 -0.914 19108 1510 1 2 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.471 -0.368 19108 1511 1 2 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.086 -0.385 19108 1512 1 2 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.040 0.050 19108 1513 1 2 . 1 1 135 135 LEU N N 135 120.252 120.252 118.048 2.204 19108 1514 1 2 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.183 0.515 19108 1515 1 2 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.435 -1.054 19108 1516 1 2 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.664 -0.920 19108 1517 1 2 . 1 1 135 135 LEU H H 135 8.456 8.456 7.641 0.815 19108 1518 1 2 . 1 1 136 136 TYR N N 136 117.432 117.432 121.609 -4.177 19108 1519 1 2 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.985 0.076 19108 1520 1 2 . 1 1 136 136 TYR CA C 136 61.058 61.058 61.476 -0.418 19108 1521 1 2 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.934 -0.354 19108 1522 1 2 . 1 1 136 136 TYR H H 136 8.028 8.028 7.604 0.424 19108 1523 1 2 . 1 1 137 137 LYS N N 137 122.000 122.000 118.424 3.576 19108 1524 1 2 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.263 1.036 19108 1525 1 2 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.867 -1.069 19108 1526 1 2 . 1 1 137 137 LYS H H 137 7.503 7.503 7.492 0.011 19108 1527 1 2 . 1 1 138 138 GLU N N 138 121.833 121.833 118.595 3.238 19108 1528 1 2 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.307 0.534 19108 1529 1 2 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.171 -1.702 19108 1530 1 2 . 1 1 138 138 GLU H H 138 8.752 8.752 8.086 0.666 19108 1531 1 2 . 1 1 139 139 ALA N N 139 119.592 119.592 122.058 -2.466 19108 1532 1 2 . 1 1 139 139 ALA HA H 139 3.846 3.846 3.963 -0.117 19108 1533 1 2 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.308 -0.168 19108 1534 1 2 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.327 1.928 19108 1535 1 2 . 1 1 139 139 ALA H H 139 7.682 7.682 7.804 -0.122 19108 1536 1 2 . 1 1 140 140 LEU N N 140 116.268 116.268 118.989 -2.721 19108 1537 1 2 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.833 0.360 19108 1538 1 2 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.756 -0.661 19108 1539 1 2 . 1 1 140 140 LEU H H 140 7.175 7.175 7.488 -0.313 19108 1540 1 2 . 1 1 141 141 GLN N N 141 117.550 117.550 117.148 0.402 19108 1541 1 2 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.880 -0.161 19108 1542 1 2 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.225 0.826 19108 1543 1 2 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.196 -0.602 19108 1544 1 2 . 1 1 141 141 GLN H H 141 8.322 8.322 7.657 0.665 19108 1545 1 2 . 1 1 142 142 MET N N 142 118.520 118.520 119.798 -1.278 19108 1546 1 2 . 1 1 142 142 MET HA H 142 4.135 4.135 3.931 0.204 19108 1547 1 2 . 1 1 142 142 MET CA C 142 59.051 59.051 59.241 -0.190 19108 1548 1 2 . 1 1 142 142 MET CB C 142 33.170 33.170 32.641 0.529 19108 1549 1 2 . 1 1 142 142 MET H H 142 8.241 8.241 8.227 0.014 19108 1550 1 2 . 1 1 143 143 LEU N N 143 118.659 118.659 117.724 0.935 19108 1551 1 2 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.837 0.455 19108 1552 1 2 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.322 -0.207 19108 1553 1 2 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.486 -0.109 19108 1554 1 2 . 1 1 143 143 LEU H H 143 7.932 7.932 8.245 -0.313 19108 1555 1 2 . 1 1 144 144 ARG N N 144 121.294 121.294 118.139 3.155 19108 1556 1 2 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.925 0.501 19108 1557 1 2 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.023 -0.034 19108 1558 1 2 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.795 -1.687 19108 1559 1 2 . 1 1 144 144 ARG H H 144 7.968 7.968 7.410 0.557 19108 1560 1 2 . 1 1 145 145 ASP N N 145 122.553 122.553 117.447 5.106 19108 1561 1 2 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.522 -0.093 19108 1562 1 2 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.588 0.990 19108 1563 1 2 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.190 -1.600 19108 1564 1 2 . 1 1 145 145 ASP H H 145 8.868 8.868 7.690 1.178 19108 1565 1 2 . 1 1 146 146 ALA N N 146 120.102 120.102 120.802 -0.700 19108 1566 1 2 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.328 0.090 19108 1567 1 2 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.344 -0.310 19108 1568 1 2 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.088 -0.793 19108 1569 1 2 . 1 1 146 146 ALA H H 146 7.737 7.737 7.492 0.245 19108 1570 1 2 . 1 1 147 147 GLY N N 147 105.039 105.039 106.191 -1.152 19108 1571 1 2 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.909 -0.045 19108 1572 1 2 . 1 1 147 147 GLY H H 147 7.966 7.966 7.675 0.291 19108 1573 1 2 . 1 1 148 148 ALA N N 148 124.181 124.181 123.601 0.580 19108 1574 1 2 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.394 0.295 19108 1575 1 2 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.747 -0.288 19108 1576 1 2 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.884 -1.405 19108 1577 1 2 . 1 1 148 148 ALA H H 148 8.051 8.051 7.293 0.758 19108 1578 1 2 . 1 1 149 149 GLN N N 149 122.185 122.185 119.505 2.680 19108 1579 1 2 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.491 -0.052 19108 1580 1 2 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.141 -0.186 19108 1581 1 2 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.930 -1.509 19108 1582 1 2 . 1 1 149 149 GLN H H 149 7.953 7.953 7.838 0.115 19108 1583 1 2 . 1 1 150 150 VAL N N 150 127.399 127.399 124.133 3.266 19108 1584 1 2 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.568 0.184 19108 1585 1 2 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.821 -0.382 19108 1586 1 2 . 1 1 150 150 VAL CB C 150 33.178 33.178 34.087 -0.909 19108 1587 1 2 . 1 1 150 150 VAL H H 150 8.658 8.658 8.357 0.301 19108 1588 1 2 . 1 1 151 151 SER N N 151 120.616 120.616 122.287 -1.671 19108 1589 1 2 . 1 1 151 151 SER HA H 151 5.179 5.179 4.874 0.305 19108 1590 1 2 . 1 1 151 151 SER CA C 151 56.981 56.981 56.694 0.287 19108 1591 1 2 . 1 1 151 151 SER CB C 151 66.538 66.538 67.044 -0.506 19108 1592 1 2 . 1 1 151 151 SER H H 151 8.737 8.737 8.431 0.306 19108 1593 1 2 . 1 1 152 152 ILE N N 152 123.180 123.180 124.025 -0.845 19108 1594 1 2 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.579 0.568 19108 1595 1 2 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.475 -3.958 19108 1596 1 2 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.862 -2.782 19108 1597 1 2 . 1 1 152 152 ILE H H 152 8.672 8.672 8.730 -0.058 19108 1598 1 2 . 1 1 153 153 MET N N 153 123.477 123.477 129.902 -6.425 19108 1599 1 2 . 1 1 153 153 MET HA H 153 3.886 3.886 4.263 -0.377 19108 1600 1 2 . 1 1 153 153 MET CA C 153 59.053 59.053 56.411 2.642 19108 1601 1 2 . 1 1 153 153 MET CB C 153 34.793 34.793 32.483 2.311 19108 1602 1 2 . 1 1 153 153 MET H H 153 8.314 8.314 8.238 0.076 19108 1603 1 2 . 1 1 154 154 THR N N 154 117.621 117.621 120.664 -3.043 19108 1604 1 2 . 1 1 154 154 THR HA H 154 4.951 4.951 4.649 0.302 19108 1605 1 2 . 1 1 154 154 THR CA C 154 60.436 60.436 60.260 0.176 19108 1606 1 2 . 1 1 154 154 THR CB C 154 72.370 72.370 70.256 2.114 19108 1607 1 2 . 1 1 154 154 THR H H 154 9.630 9.630 7.893 1.737 19108 1608 1 2 . 1 1 155 155 TYR N N 155 121.751 121.751 123.218 -1.467 19108 1609 1 2 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.181 -0.082 19108 1610 1 2 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.274 2.165 19108 1611 1 2 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.278 1.008 19108 1612 1 2 . 1 1 155 155 TYR H H 155 9.769 9.769 8.878 0.891 19108 1613 1 2 . 1 1 156 156 ASP N N 156 115.555 115.555 117.485 -1.930 19108 1614 1 2 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.695 0.413 19108 1615 1 2 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.402 0.858 19108 1616 1 2 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.846 0.772 19108 1617 1 2 . 1 1 156 156 ASP H H 156 8.230 8.230 8.534 -0.304 19108 1618 1 2 . 1 1 157 157 GLU N N 157 117.678 117.678 119.606 -1.928 19108 1619 1 2 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.908 -0.038 19108 1620 1 2 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.459 1.048 19108 1621 1 2 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.083 1.965 19108 1622 1 2 . 1 1 157 157 GLU H H 157 7.470 7.470 8.178 -0.708 19108 1623 1 2 . 1 1 158 158 PHE N N 158 119.869 119.869 120.188 -0.319 19108 1624 1 2 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.901 -0.072 19108 1625 1 2 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.738 1.038 19108 1626 1 2 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.310 1.597 19108 1627 1 2 . 1 1 158 158 PHE H H 158 8.077 8.077 8.249 -0.172 19108 1628 1 2 . 1 1 159 159 LYS N N 159 118.859 118.859 119.290 -0.431 19108 1629 1 2 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.804 0.113 19108 1630 1 2 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.086 -0.855 19108 1631 1 2 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.368 -0.405 19108 1632 1 2 . 1 1 159 159 LYS H H 159 8.273 8.273 7.989 0.284 19108 1633 1 2 . 1 1 160 160 HIS N N 160 115.889 115.889 118.667 -2.778 19108 1634 1 2 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.194 -0.035 19108 1635 1 2 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.445 0.536 19108 1636 1 2 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.721 -1.791 19108 1637 1 2 . 1 1 160 160 HIS H H 160 7.695 7.695 7.647 0.048 19108 1638 1 2 . 1 1 161 161 CYS N N 161 118.188 118.188 118.316 -0.128 19108 1639 1 2 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.209 0.580 19108 1640 1 2 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.119 0.675 19108 1641 1 2 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.331 1.555 19108 1642 1 2 . 1 1 161 161 CYS H H 161 7.885 7.885 8.227 -0.342 19108 1643 1 2 . 1 1 162 162 TRP N N 162 122.741 122.741 121.753 0.988 19108 1644 1 2 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.439 0.325 19108 1645 1 2 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.352 0.365 19108 1646 1 2 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.919 -0.326 19108 1647 1 2 . 1 1 162 162 TRP H H 162 8.040 8.040 8.054 -0.014 19108 1648 1 2 . 1 1 163 163 ASP N N 163 113.796 113.796 119.137 -5.341 19108 1649 1 2 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.770 0.356 19108 1650 1 2 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.432 0.497 19108 1651 1 2 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.082 0.453 19108 1652 1 2 . 1 1 163 163 ASP H H 163 8.319 8.319 7.859 0.460 19108 1653 1 2 . 1 1 164 164 THR N N 164 112.008 112.008 114.424 -2.416 19108 1654 1 2 . 1 1 164 164 THR HA H 164 3.803 3.803 3.819 -0.016 19108 1655 1 2 . 1 1 164 164 THR CA C 164 65.164 65.164 65.240 -0.076 19108 1656 1 2 . 1 1 164 164 THR CB C 164 70.171 70.171 68.373 1.798 19108 1657 1 2 . 1 1 164 164 THR H H 164 7.494 7.494 7.810 -0.316 19108 1658 1 2 . 1 1 165 165 PHE N N 165 115.079 115.079 116.970 -1.891 19108 1659 1 2 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.577 -0.042 19108 1660 1 2 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.329 0.640 19108 1661 1 2 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.418 0.950 19108 1662 1 2 . 1 1 165 165 PHE H H 165 8.235 8.235 7.210 1.024 19108 1663 1 2 . 1 1 166 166 VAL N N 166 118.432 118.432 118.638 -0.206 19108 1664 1 2 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.280 -0.255 19108 1665 1 2 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.812 1.189 19108 1666 1 2 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.858 -3.503 19108 1667 1 2 . 1 1 166 166 VAL H H 166 6.838 6.838 7.038 -0.200 19108 1668 1 2 . 1 1 167 167 ASP N N 167 126.263 126.263 125.763 0.500 19108 1669 1 2 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.508 -0.660 19108 1670 1 2 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.798 -3.168 19108 1671 1 2 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.045 -0.965 19108 1672 1 2 . 1 1 167 167 ASP H H 167 8.498 8.498 8.278 0.220 19108 1673 1 2 . 1 1 168 168 HIS N N 168 119.890 119.890 119.033 0.857 19108 1674 1 2 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.278 0.068 19108 1675 1 2 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.560 -1.985 19108 1676 1 2 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.208 2.254 19108 1677 1 2 . 1 1 168 168 HIS H H 168 6.977 6.977 7.621 -0.644 19108 1678 1 2 . 1 1 169 169 GLN N N 169 119.254 119.254 116.020 3.234 19108 1679 1 2 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.019 -0.296 19108 1680 1 2 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.800 -0.030 19108 1681 1 2 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.147 -0.626 19108 1682 1 2 . 1 1 169 169 GLN H H 169 9.126 9.126 8.943 0.183 19108 1683 1 2 . 1 1 170 170 GLY N N 170 111.911 111.911 101.622 10.289 19108 1684 1 2 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.359 0.465 19108 1685 1 2 . 1 1 170 170 GLY H H 170 11.556 11.556 5.283 6.273 19108 1686 1 2 . 1 1 171 171 CYS N N 171 123.390 123.390 121.548 1.842 19108 1687 1 2 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.020 -0.304 19108 1688 1 2 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.311 1.474 19108 1689 1 2 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.879 -0.975 19108 1690 1 2 . 1 1 171 171 CYS H H 171 8.044 8.044 7.282 0.762 19108 1691 1 2 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.893 -0.275 19108 1692 1 2 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.140 -0.282 19108 1693 1 2 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.539 -0.010 19108 1694 1 2 . 1 1 173 173 PHE N N 173 121.101 121.101 119.827 1.274 19108 1695 1 2 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.246 -0.590 19108 1696 1 2 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.348 -1.807 19108 1697 1 2 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.218 -0.472 19108 1698 1 2 . 1 1 173 173 PHE H H 173 8.842 8.842 8.102 0.740 19108 1699 1 2 . 1 1 174 174 GLN N N 174 129.493 129.493 124.843 4.650 19108 1700 1 2 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.465 -0.148 19108 1701 1 2 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.716 -1.921 19108 1702 1 2 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.806 0.291 19108 1703 1 2 . 1 1 174 174 GLN H H 174 7.250 7.250 7.121 0.129 19108 1704 1 2 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.637 -0.723 19108 1705 1 2 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.828 -0.405 19108 1706 1 2 . 1 1 176 176 TRP N N 176 118.133 118.133 124.309 -6.176 19108 1707 1 2 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.792 -0.159 19108 1708 1 2 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.979 0.183 19108 1709 1 2 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.503 -0.614 19108 1710 1 2 . 1 1 176 176 TRP H H 176 5.591 5.591 6.955 -1.364 19108 1711 1 2 . 1 1 177 177 ASP N N 177 121.814 121.814 121.346 0.468 19108 1712 1 2 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.617 -0.220 19108 1713 1 2 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.000 2.172 19108 1714 1 2 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.213 0.462 19108 1715 1 2 . 1 1 177 177 ASP H H 177 8.848 8.848 8.538 0.310 19108 1716 1 2 . 1 1 178 178 GLY N N 178 111.875 111.875 113.793 -1.918 19108 1717 1 2 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.250 0.416 19108 1718 1 2 . 1 1 178 178 GLY H H 178 8.987 8.987 8.091 0.896 19108 1719 1 2 . 1 1 179 179 LEU N N 179 121.470 121.470 123.543 -2.073 19108 1720 1 2 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.257 0.231 19108 1721 1 2 . 1 1 179 179 LEU CA C 179 60.782 60.782 59.017 1.765 19108 1722 1 2 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.956 0.273 19108 1723 1 2 . 1 1 179 179 LEU H H 179 7.148 7.148 7.727 -0.579 19108 1724 1 2 . 1 1 180 180 ASP N N 180 119.476 119.476 118.427 1.049 19108 1725 1 2 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.226 0.266 19108 1726 1 2 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.629 0.310 19108 1727 1 2 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.091 0.622 19108 1728 1 2 . 1 1 180 180 ASP H H 180 8.874 8.874 8.890 -0.016 19108 1729 1 2 . 1 1 181 181 GLU N N 181 122.379 122.379 119.688 2.691 19108 1730 1 2 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.869 0.143 19108 1731 1 2 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.817 0.152 19108 1732 1 2 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.311 -0.385 19108 1733 1 2 . 1 1 181 181 GLU H H 181 8.712 8.712 8.272 0.440 19108 1734 1 2 . 1 1 182 182 HIS N N 182 118.572 118.572 118.138 0.434 19108 1735 1 2 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.285 0.469 19108 1736 1 2 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.169 -0.140 19108 1737 1 2 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.357 -0.509 19108 1738 1 2 . 1 1 182 182 HIS H H 182 8.854 8.854 8.197 0.657 19108 1739 1 2 . 1 1 183 183 SER N N 183 116.329 116.329 115.005 1.324 19108 1740 1 2 . 1 1 183 183 SER HA H 183 4.554 4.554 4.295 0.259 19108 1741 1 2 . 1 1 183 183 SER CA C 183 63.604 63.604 62.383 1.222 19108 1742 1 2 . 1 1 183 183 SER CB C 183 65.216 65.216 62.670 2.546 19108 1743 1 2 . 1 1 183 183 SER H H 183 8.665 8.665 8.573 0.092 19108 1744 1 2 . 1 1 184 184 GLN N N 184 122.215 122.215 121.377 0.838 19108 1745 1 2 . 1 1 184 184 GLN HA H 184 4.247 4.247 3.996 0.251 19108 1746 1 2 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.892 0.068 19108 1747 1 2 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.683 0.252 19108 1748 1 2 . 1 1 184 184 GLN H H 184 8.714 8.714 8.017 0.697 19108 1749 1 2 . 1 1 185 185 ALA N N 185 124.432 124.432 123.080 1.352 19108 1750 1 2 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.109 0.175 19108 1751 1 2 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.939 0.530 19108 1752 1 2 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.174 0.200 19108 1753 1 2 . 1 1 185 185 ALA H H 185 8.258 8.258 7.758 0.500 19108 1754 1 2 . 1 1 186 186 LEU N N 186 119.941 119.941 118.869 1.072 19108 1755 1 2 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.842 0.370 19108 1756 1 2 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.249 -0.033 19108 1757 1 2 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.709 1.055 19108 1758 1 2 . 1 1 186 186 LEU H H 186 8.953 8.953 8.208 0.745 19108 1759 1 2 . 1 1 187 187 SER N N 187 116.987 116.987 113.902 3.085 19108 1760 1 2 . 1 1 187 187 SER HA H 187 4.039 4.039 4.272 -0.233 19108 1761 1 2 . 1 1 187 187 SER CA C 187 63.302 63.302 61.887 1.415 19108 1762 1 2 . 1 1 187 187 SER CB C 187 62.760 62.760 62.833 -0.073 19108 1763 1 2 . 1 1 187 187 SER H H 187 8.935 8.935 8.707 0.228 19108 1764 1 2 . 1 1 188 188 GLY N N 188 110.215 110.215 110.381 -0.166 19108 1765 1 2 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.117 0.037 19108 1766 1 2 . 1 1 188 188 GLY H H 188 8.228 8.228 7.665 0.563 19108 1767 1 2 . 1 1 189 189 ARG N N 189 122.994 122.994 122.494 0.500 19108 1768 1 2 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.217 0.020 19108 1769 1 2 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.690 0.869 19108 1770 1 2 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.018 0.377 19108 1771 1 2 . 1 1 189 189 ARG H H 189 7.838 7.838 7.737 0.101 19108 1772 1 2 . 1 1 190 190 LEU N N 190 119.765 119.765 120.197 -0.432 19108 1773 1 2 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.243 -0.005 19108 1774 1 2 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.190 0.029 19108 1775 1 2 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.134 0.108 19108 1776 1 2 . 1 1 190 190 LEU H H 190 8.791 8.791 7.870 0.921 19108 1777 1 2 . 1 1 191 191 ARG N N 191 118.427 118.427 118.084 0.343 19108 1778 1 2 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.087 -0.044 19108 1779 1 2 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.866 0.916 19108 1780 1 2 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.811 0.380 19108 1781 1 2 . 1 1 191 191 ARG H H 191 8.305 8.305 8.581 -0.276 19108 1782 1 2 . 1 1 192 192 ALA N N 192 119.414 119.414 122.870 -3.456 19108 1783 1 2 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.048 0.169 19108 1784 1 2 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.982 -0.266 19108 1785 1 2 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.380 -0.215 19108 1786 1 2 . 1 1 192 192 ALA H H 192 7.414 7.414 7.673 -0.259 19108 1787 1 2 . 1 1 193 193 ILE N N 193 118.949 118.949 117.713 1.236 19108 1788 1 2 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.817 -0.047 19108 1789 1 2 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.935 0.903 19108 1790 1 2 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.809 1.637 19108 1791 1 2 . 1 1 193 193 ILE H H 193 7.896 7.896 7.606 0.290 19108 1792 1 2 . 1 1 194 194 LEU N N 194 116.435 116.435 117.813 -1.378 19108 1793 1 2 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.122 0.151 19108 1794 1 2 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.813 -1.100 19108 1795 1 2 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.564 -1.093 19108 1796 1 2 . 1 1 194 194 LEU H H 194 8.296 8.296 7.408 0.888 19108 1797 1 2 . 1 1 195 195 GLN N N 195 118.580 118.580 117.464 1.116 19108 1798 1 2 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.381 -0.046 19108 1799 1 2 . 1 1 195 195 GLN CA C 195 56.417 56.417 54.680 1.737 19108 1800 1 2 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.325 1.273 19108 1801 1 2 . 1 1 195 195 GLN H H 195 7.921 7.921 7.813 0.108 19108 1802 1 2 . 1 1 196 196 ASN N N 196 118.941 118.941 122.268 -3.327 19108 1803 1 2 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.542 0.160 19108 1804 1 2 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.093 -0.643 19108 1805 1 2 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.503 -0.678 19108 1806 1 2 . 1 1 196 196 ASN H H 196 8.078 8.078 8.280 -0.202 19108 1807 1 2 . 1 1 197 197 GLN N N 197 120.984 120.984 122.499 -1.515 19108 1808 1 2 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.049 0.307 19108 1809 1 2 . 1 1 197 197 GLN CA C 197 56.166 56.166 58.258 -2.092 19108 1810 1 2 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.880 0.616 19108 1811 1 2 . 1 1 197 197 GLN H H 197 8.526 8.526 8.709 -0.183 19108 1812 1 2 . 1 1 198 198 GLY N N 198 109.565 109.565 107.601 1.964 19108 1813 1 2 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.305 0.079 19108 1814 1 2 . 1 1 198 198 GLY H H 198 8.467 8.467 8.418 0.049 19108 1815 1 3 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.591 -0.217 19108 1816 1 3 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.421 -0.073 19108 1817 1 3 . 1 1 2 2 GLU CB C 2 30.453 30.453 31.355 -0.902 19108 1818 1 3 . 1 1 3 3 ALA N N 3 125.932 125.932 129.158 -3.226 19108 1819 1 3 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.051 0.299 19108 1820 1 3 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.626 -1.219 19108 1821 1 3 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.619 0.961 19108 1822 1 3 . 1 1 3 3 ALA H H 3 8.526 8.526 8.545 -0.019 19108 1823 1 3 . 1 1 4 4 SER N N 4 116.729 116.729 115.299 1.430 19108 1824 1 3 . 1 1 4 4 SER HA H 4 4.766 4.766 4.706 0.060 19108 1825 1 3 . 1 1 4 4 SER CA C 4 56.283 56.283 57.114 -0.831 19108 1826 1 3 . 1 1 4 4 SER CB C 4 63.278 63.278 65.232 -1.954 19108 1827 1 3 . 1 1 4 4 SER H H 4 8.397 8.397 8.313 0.084 19108 1828 1 3 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.563 -0.117 19108 1829 1 3 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.049 0.257 19108 1830 1 3 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.959 0.138 19108 1831 1 3 . 1 1 6 6 ALA N N 6 124.236 124.236 127.823 -3.587 19108 1832 1 3 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.356 -0.023 19108 1833 1 3 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.904 0.659 19108 1834 1 3 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.418 -0.084 19108 1835 1 3 . 1 1 6 6 ALA H H 6 8.411 8.411 8.458 -0.047 19108 1836 1 3 . 1 1 7 7 SER N N 7 114.497 114.497 116.535 -2.038 19108 1837 1 3 . 1 1 7 7 SER HA H 7 4.475 4.475 4.449 0.026 19108 1838 1 3 . 1 1 7 7 SER CA C 7 58.258 58.258 57.918 0.340 19108 1839 1 3 . 1 1 7 7 SER CB C 7 64.174 64.174 64.046 0.128 19108 1840 1 3 . 1 1 7 7 SER H H 7 8.195 8.195 8.212 -0.017 19108 1841 1 3 . 1 1 8 8 GLY N N 8 110.497 110.497 107.003 3.494 19108 1842 1 3 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.993 -0.147 19108 1843 1 3 . 1 1 8 8 GLY H H 8 8.226 8.226 8.542 -0.316 19108 1844 1 3 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.596 -0.147 19108 1845 1 3 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.467 0.967 19108 1846 1 3 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.447 0.746 19108 1847 1 3 . 1 1 10 10 ARG N N 10 120.534 120.534 119.951 0.583 19108 1848 1 3 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.127 0.214 19108 1849 1 3 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.284 -0.268 19108 1850 1 3 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.770 0.039 19108 1851 1 3 . 1 1 10 10 ARG H H 10 8.469 8.469 7.229 1.240 19108 1852 1 3 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.739 0.086 19108 1853 1 3 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.813 0.648 19108 1854 1 3 . 1 1 11 11 HIS CB C 11 30.191 30.191 28.526 1.665 19108 1855 1 3 . 1 1 12 12 LEU N N 12 122.284 122.284 123.392 -1.108 19108 1856 1 3 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.379 0.230 19108 1857 1 3 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.803 1.227 19108 1858 1 3 . 1 1 12 12 LEU H H 12 8.250 8.250 8.031 0.219 19108 1859 1 3 . 1 1 13 13 MET N N 13 121.493 121.493 117.614 3.879 19108 1860 1 3 . 1 1 13 13 MET HA H 13 4.038 4.038 4.402 -0.364 19108 1861 1 3 . 1 1 13 13 MET CA C 13 54.449 54.449 55.023 -0.574 19108 1862 1 3 . 1 1 13 13 MET CB C 13 35.015 35.015 32.672 2.342 19108 1863 1 3 . 1 1 13 13 MET H H 13 8.955 8.955 8.285 0.670 19108 1864 1 3 . 1 1 14 14 ASP N N 14 127.113 127.113 121.592 5.521 19108 1865 1 3 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.673 -0.573 19108 1866 1 3 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.815 -0.359 19108 1867 1 3 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.337 2.173 19108 1868 1 3 . 1 1 14 14 ASP H H 14 8.514 8.514 8.561 -0.047 19108 1869 1 3 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.162 -0.309 19108 1870 1 3 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.355 0.299 19108 1871 1 3 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.817 -0.166 19108 1872 1 3 . 1 1 16 16 HIS N N 16 115.776 115.776 115.572 0.204 19108 1873 1 3 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.628 -0.350 19108 1874 1 3 . 1 1 16 16 HIS CA C 16 58.918 58.918 58.635 0.283 19108 1875 1 3 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.595 0.613 19108 1876 1 3 . 1 1 16 16 HIS H H 16 8.591 8.591 7.456 1.135 19108 1877 1 3 . 1 1 17 17 ILE N N 17 122.675 122.675 120.882 1.793 19108 1878 1 3 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.759 -0.275 19108 1879 1 3 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.624 -1.398 19108 1880 1 3 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.785 -0.688 19108 1881 1 3 . 1 1 17 17 ILE H H 17 7.558 7.558 8.016 -0.458 19108 1882 1 3 . 1 1 18 18 PHE N N 18 120.513 120.513 120.145 0.368 19108 1883 1 3 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.221 -0.218 19108 1884 1 3 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.441 0.364 19108 1885 1 3 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.529 0.111 19108 1886 1 3 . 1 1 18 18 PHE H H 18 7.831 7.831 8.487 -0.656 19108 1887 1 3 . 1 1 19 19 THR N N 19 114.555 114.555 116.602 -2.047 19108 1888 1 3 . 1 1 19 19 THR HA H 19 3.657 3.657 4.222 -0.565 19108 1889 1 3 . 1 1 19 19 THR CA C 19 66.485 66.485 66.876 -0.391 19108 1890 1 3 . 1 1 19 19 THR CB C 19 68.345 68.345 68.786 -0.441 19108 1891 1 3 . 1 1 19 19 THR H H 19 9.036 9.036 8.291 0.745 19108 1892 1 3 . 1 1 20 20 SER N N 20 113.030 113.030 116.858 -3.828 19108 1893 1 3 . 1 1 20 20 SER HA H 20 4.062 4.062 4.083 -0.021 19108 1894 1 3 . 1 1 20 20 SER CA C 20 60.610 60.610 61.299 -0.689 19108 1895 1 3 . 1 1 20 20 SER CB C 20 63.843 63.843 63.172 0.671 19108 1896 1 3 . 1 1 20 20 SER H H 20 7.809 7.809 8.499 -0.690 19108 1897 1 3 . 1 1 21 21 ASN N N 21 115.629 115.629 121.994 -6.365 19108 1898 1 3 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.312 0.099 19108 1899 1 3 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.346 1.643 19108 1900 1 3 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.006 3.574 19108 1901 1 3 . 1 1 21 21 ASN H H 21 7.362 7.362 7.714 -0.352 19108 1902 1 3 . 1 1 22 22 PHE N N 22 117.773 117.773 116.179 1.594 19108 1903 1 3 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.406 -0.133 19108 1904 1 3 . 1 1 22 22 PHE CA C 22 56.460 56.460 58.091 -1.631 19108 1905 1 3 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.394 -0.564 19108 1906 1 3 . 1 1 22 22 PHE H H 22 8.296 8.296 8.231 0.065 19108 1907 1 3 . 1 1 23 23 ASN N N 23 115.026 115.026 120.006 -4.980 19108 1908 1 3 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.276 0.253 19108 1909 1 3 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.001 0.641 19108 1910 1 3 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.593 -1.970 19108 1911 1 3 . 1 1 23 23 ASN H H 23 6.097 6.097 7.445 -1.348 19108 1912 1 3 . 1 1 24 24 ASN N N 24 122.900 122.900 123.837 -0.937 19108 1913 1 3 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.178 0.255 19108 1914 1 3 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.168 0.105 19108 1915 1 3 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.764 0.127 19108 1916 1 3 . 1 1 24 24 ASN H H 24 7.083 7.083 7.350 -0.267 19108 1917 1 3 . 1 1 25 25 GLY N N 25 105.587 105.587 112.326 -6.739 19108 1918 1 3 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.598 0.267 19108 1919 1 3 . 1 1 25 25 GLY H H 25 8.520 8.520 8.515 0.005 19108 1920 1 3 . 1 1 26 26 ILE N N 26 120.182 120.182 116.769 3.413 19108 1921 1 3 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.511 -0.337 19108 1922 1 3 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.098 1.345 19108 1923 1 3 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.508 1.007 19108 1924 1 3 . 1 1 26 26 ILE H H 26 6.944 6.944 7.288 -0.344 19108 1925 1 3 . 1 1 27 27 GLY N N 27 111.665 111.665 106.202 5.463 19108 1926 1 3 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.049 0.270 19108 1927 1 3 . 1 1 27 27 GLY H H 27 8.457 8.457 8.289 0.168 19108 1928 1 3 . 1 1 28 28 ARG N N 28 117.565 117.565 120.074 -2.509 19108 1929 1 3 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.842 -2.277 19108 1930 1 3 . 1 1 28 28 ARG H H 28 6.741 6.741 7.722 -0.981 19108 1931 1 3 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.016 1.987 19108 1932 1 3 . 1 1 29 29 HIS CB C 29 29.044 29.044 31.054 -2.010 19108 1933 1 3 . 1 1 29 29 HIS H H 29 8.636 8.636 8.335 0.301 19108 1934 1 3 . 1 1 30 30 LYS N N 30 119.344 119.344 121.063 -1.719 19108 1935 1 3 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.217 0.204 19108 1936 1 3 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.990 0.874 19108 1937 1 3 . 1 1 30 30 LYS CB C 30 35.191 35.191 34.229 0.962 19108 1938 1 3 . 1 1 30 30 LYS H H 30 7.870 7.870 8.034 -0.164 19108 1939 1 3 . 1 1 31 31 THR N N 31 118.233 118.233 116.466 1.767 19108 1940 1 3 . 1 1 31 31 THR HA H 31 4.125 4.125 3.438 0.687 19108 1941 1 3 . 1 1 31 31 THR CA C 31 63.175 63.175 62.637 0.538 19108 1942 1 3 . 1 1 31 31 THR H H 31 8.436 8.436 7.582 0.854 19108 1943 1 3 . 1 1 32 32 TYR N N 32 124.026 124.026 123.663 0.363 19108 1944 1 3 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.829 0.107 19108 1945 1 3 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.407 0.094 19108 1946 1 3 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.449 1.955 19108 1947 1 3 . 1 1 32 32 TYR H H 32 8.244 8.244 8.698 -0.454 19108 1948 1 3 . 1 1 33 33 LEU N N 33 125.428 125.428 125.383 0.045 19108 1949 1 3 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.283 -0.204 19108 1950 1 3 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.530 1.308 19108 1951 1 3 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.412 1.572 19108 1952 1 3 . 1 1 33 33 LEU H H 33 9.232 9.232 8.332 0.900 19108 1953 1 3 . 1 1 34 34 CYS N N 34 125.975 125.975 126.949 -0.974 19108 1954 1 3 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.049 -0.043 19108 1955 1 3 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.351 1.794 19108 1956 1 3 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.602 1.700 19108 1957 1 3 . 1 1 34 34 CYS H H 34 9.640 9.640 9.005 0.635 19108 1958 1 3 . 1 1 35 35 TYR N N 35 121.183 121.183 122.053 -0.870 19108 1959 1 3 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.578 0.910 19108 1960 1 3 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.882 -0.100 19108 1961 1 3 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.131 2.959 19108 1962 1 3 . 1 1 35 35 TYR H H 35 9.094 9.094 8.469 0.625 19108 1963 1 3 . 1 1 36 36 GLU N N 36 115.538 115.538 123.624 -8.086 19108 1964 1 3 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.902 0.533 19108 1965 1 3 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.816 0.575 19108 1966 1 3 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.163 0.381 19108 1967 1 3 . 1 1 36 36 GLU H H 36 8.977 8.977 8.973 0.004 19108 1968 1 3 . 1 1 37 37 VAL N N 37 121.600 121.600 125.677 -4.077 19108 1969 1 3 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.689 0.470 19108 1970 1 3 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.145 0.902 19108 1971 1 3 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.255 1.815 19108 1972 1 3 . 1 1 37 37 VAL H H 37 9.271 9.271 8.968 0.303 19108 1973 1 3 . 1 1 38 38 GLU N N 38 125.227 125.227 125.173 0.054 19108 1974 1 3 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.011 0.207 19108 1975 1 3 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.434 -0.182 19108 1976 1 3 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.321 0.606 19108 1977 1 3 . 1 1 38 38 GLU H H 38 9.114 9.114 8.555 0.559 19108 1978 1 3 . 1 1 39 39 ARG N N 39 124.872 124.872 121.491 3.381 19108 1979 1 3 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.141 1.224 19108 1980 1 3 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.384 0.863 19108 1981 1 3 . 1 1 39 39 ARG CB C 39 32.565 32.565 33.146 -0.581 19108 1982 1 3 . 1 1 39 39 ARG H H 39 9.215 9.215 8.129 1.087 19108 1983 1 3 . 1 1 40 40 LEU N N 40 126.510 126.510 125.819 0.691 19108 1984 1 3 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.416 0.337 19108 1985 1 3 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.593 -0.270 19108 1986 1 3 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.460 -2.617 19108 1987 1 3 . 1 1 40 40 LEU H H 40 8.659 8.659 7.939 0.720 19108 1988 1 3 . 1 1 41 41 ASP N N 41 124.410 124.410 126.051 -1.641 19108 1989 1 3 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.755 0.038 19108 1990 1 3 . 1 1 41 41 ASP CA C 41 53.218 53.218 52.935 0.283 19108 1991 1 3 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.188 -0.455 19108 1992 1 3 . 1 1 41 41 ASP H H 41 8.575 8.575 8.135 0.440 19108 1993 1 3 . 1 1 42 42 ASN N N 42 123.319 123.319 125.058 -1.739 19108 1994 1 3 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.391 0.029 19108 1995 1 3 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.282 0.890 19108 1996 1 3 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.999 -0.152 19108 1997 1 3 . 1 1 42 42 ASN H H 42 9.048 9.048 8.713 0.335 19108 1998 1 3 . 1 1 43 43 GLY N N 43 106.044 106.044 103.642 2.402 19108 1999 1 3 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.504 -0.110 19108 2000 1 3 . 1 1 43 43 GLY H H 43 8.548 8.548 8.500 0.048 19108 2001 1 3 . 1 1 44 44 THR N N 44 115.893 115.893 119.479 -3.586 19108 2002 1 3 . 1 1 44 44 THR HA H 44 4.524 4.524 4.333 0.191 19108 2003 1 3 . 1 1 44 44 THR CA C 44 61.285 61.285 61.572 -0.287 19108 2004 1 3 . 1 1 44 44 THR CB C 44 70.572 70.572 68.924 1.648 19108 2005 1 3 . 1 1 44 44 THR H H 44 7.833 7.833 7.810 0.023 19108 2006 1 3 . 1 1 45 45 SER N N 45 119.589 119.589 123.939 -4.350 19108 2007 1 3 . 1 1 45 45 SER HA H 45 4.804 4.804 5.038 -0.234 19108 2008 1 3 . 1 1 45 45 SER CA C 45 58.080 58.080 57.880 0.200 19108 2009 1 3 . 1 1 45 45 SER CB C 45 64.265 64.265 63.432 0.833 19108 2010 1 3 . 1 1 45 45 SER H H 45 8.590 8.590 8.583 0.007 19108 2011 1 3 . 1 1 46 46 VAL N N 46 125.827 125.827 127.814 -1.987 19108 2012 1 3 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.115 0.178 19108 2013 1 3 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.706 1.137 19108 2014 1 3 . 1 1 46 46 VAL CB C 46 33.517 33.517 31.676 1.841 19108 2015 1 3 . 1 1 46 46 VAL H H 46 9.034 9.034 8.810 0.224 19108 2016 1 3 . 1 1 47 47 LYS N N 47 126.528 126.528 128.268 -1.740 19108 2017 1 3 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.223 0.062 19108 2018 1 3 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.797 0.868 19108 2019 1 3 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.640 0.152 19108 2020 1 3 . 1 1 47 47 LYS H H 47 8.738 8.738 8.448 0.290 19108 2021 1 3 . 1 1 48 48 MET N N 48 122.645 122.645 125.164 -2.519 19108 2022 1 3 . 1 1 48 48 MET HA H 48 5.195 5.195 4.444 0.751 19108 2023 1 3 . 1 1 48 48 MET CA C 48 54.747 54.747 56.291 -1.544 19108 2024 1 3 . 1 1 48 48 MET CB C 48 32.379 32.379 33.335 -0.956 19108 2025 1 3 . 1 1 48 48 MET H H 48 8.334 8.334 8.157 0.177 19108 2026 1 3 . 1 1 49 49 ASP N N 49 123.713 123.713 120.400 3.313 19108 2027 1 3 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.550 -0.126 19108 2028 1 3 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.635 0.975 19108 2029 1 3 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.096 -0.062 19108 2030 1 3 . 1 1 49 49 ASP H H 49 8.575 8.575 8.642 -0.067 19108 2031 1 3 . 1 1 50 50 GLN N N 50 117.540 117.540 119.631 -2.091 19108 2032 1 3 . 1 1 50 50 GLN H H 50 9.110 9.110 8.466 0.644 19108 2033 1 3 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.749 0.402 19108 2034 1 3 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.566 -1.732 19108 2035 1 3 . 1 1 51 51 HIS H H 51 8.031 8.031 8.341 -0.310 19108 2036 1 3 . 1 1 52 52 ARG N N 52 117.888 117.888 120.845 -2.957 19108 2037 1 3 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.484 0.753 19108 2038 1 3 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.254 -0.199 19108 2039 1 3 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.609 0.445 19108 2040 1 3 . 1 1 52 52 ARG H H 52 7.685 7.685 7.600 0.085 19108 2041 1 3 . 1 1 53 53 GLY N N 53 108.573 108.573 105.489 3.084 19108 2042 1 3 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.347 0.361 19108 2043 1 3 . 1 1 53 53 GLY H H 53 7.529 7.529 7.136 0.393 19108 2044 1 3 . 1 1 54 54 PHE N N 54 113.146 113.146 115.623 -2.477 19108 2045 1 3 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.657 0.338 19108 2046 1 3 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.078 -0.222 19108 2047 1 3 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.016 2.347 19108 2048 1 3 . 1 1 54 54 PHE H H 54 8.287 8.287 8.012 0.275 19108 2049 1 3 . 1 1 55 55 LEU N N 55 119.389 119.389 120.239 -0.850 19108 2050 1 3 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.159 0.536 19108 2051 1 3 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.623 1.089 19108 2052 1 3 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.601 0.027 19108 2053 1 3 . 1 1 55 55 LEU H H 55 9.452 9.452 8.943 0.509 19108 2054 1 3 . 1 1 56 56 HIS N N 56 114.176 114.176 113.787 0.389 19108 2055 1 3 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.913 0.526 19108 2056 1 3 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.553 -0.088 19108 2057 1 3 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.223 0.244 19108 2058 1 3 . 1 1 56 56 HIS H H 56 7.709 7.709 7.559 0.150 19108 2059 1 3 . 1 1 57 57 ASN N N 57 116.522 116.522 121.149 -4.627 19108 2060 1 3 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.288 0.127 19108 2061 1 3 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.385 -0.201 19108 2062 1 3 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.467 -0.805 19108 2063 1 3 . 1 1 57 57 ASN H H 57 8.684 8.684 8.230 0.454 19108 2064 1 3 . 1 1 58 58 GLN N N 58 122.850 122.850 119.454 3.396 19108 2065 1 3 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.437 -0.048 19108 2066 1 3 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.808 -0.955 19108 2067 1 3 . 1 1 58 58 GLN CB C 58 30.382 30.382 31.884 -1.502 19108 2068 1 3 . 1 1 58 58 GLN H H 58 9.099 9.099 7.923 1.176 19108 2069 1 3 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.718 -0.418 19108 2070 1 3 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.541 -0.037 19108 2071 1 3 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.537 -0.116 19108 2072 1 3 . 1 1 60 60 LYS N N 60 119.998 119.998 119.045 0.953 19108 2073 1 3 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.439 -0.663 19108 2074 1 3 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.736 -0.435 19108 2075 1 3 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.018 -0.202 19108 2076 1 3 . 1 1 60 60 LYS H H 60 8.344 8.344 8.022 0.322 19108 2077 1 3 . 1 1 61 61 ASN N N 61 119.688 119.688 118.667 1.021 19108 2078 1 3 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.964 -0.509 19108 2079 1 3 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.158 -0.255 19108 2080 1 3 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.672 -1.135 19108 2081 1 3 . 1 1 61 61 ASN H H 61 8.643 8.643 8.533 0.110 19108 2082 1 3 . 1 1 62 62 LEU N N 62 124.761 124.761 117.508 7.253 19108 2083 1 3 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.397 -0.463 19108 2084 1 3 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.920 0.325 19108 2085 1 3 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.629 -0.686 19108 2086 1 3 . 1 1 62 62 LEU H H 62 8.873 8.873 8.189 0.684 19108 2087 1 3 . 1 1 63 63 LEU N N 63 120.312 120.312 118.363 1.949 19108 2088 1 3 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.314 -0.115 19108 2089 1 3 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.140 0.937 19108 2090 1 3 . 1 1 63 63 LEU CB C 63 41.257 41.257 40.918 0.339 19108 2091 1 3 . 1 1 63 63 LEU H H 63 8.145 8.145 7.338 0.807 19108 2092 1 3 . 1 1 64 64 CYS N N 64 113.898 113.898 117.781 -3.883 19108 2093 1 3 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.381 -0.210 19108 2094 1 3 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.378 -2.594 19108 2095 1 3 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.130 0.588 19108 2096 1 3 . 1 1 64 64 CYS H H 64 7.376 7.376 8.195 -0.819 19108 2097 1 3 . 1 1 65 65 GLY N N 65 108.894 108.894 108.505 0.389 19108 2098 1 3 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.133 0.850 19108 2099 1 3 . 1 1 65 65 GLY H H 65 7.789 7.789 7.422 0.367 19108 2100 1 3 . 1 1 66 66 PHE N N 66 118.711 118.711 123.218 -4.507 19108 2101 1 3 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.288 -0.371 19108 2102 1 3 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.908 -0.968 19108 2103 1 3 . 1 1 66 66 PHE CB C 66 40.268 40.268 36.916 3.353 19108 2104 1 3 . 1 1 66 66 PHE H H 66 7.699 7.699 7.805 -0.106 19108 2105 1 3 . 1 1 67 67 TYR N N 67 124.623 124.623 122.205 2.418 19108 2106 1 3 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.277 0.023 19108 2107 1 3 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.544 0.220 19108 2108 1 3 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.237 -0.084 19108 2109 1 3 . 1 1 67 67 TYR H H 67 8.568 8.568 6.749 1.819 19108 2110 1 3 . 1 1 69 69 ARG N N 69 121.427 121.427 124.503 -3.076 19108 2111 1 3 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.429 2.628 19108 2112 1 3 . 1 1 69 69 ARG CB C 69 32.296 32.296 34.342 -2.046 19108 2113 1 3 . 1 1 69 69 ARG H H 69 8.313 8.313 7.691 0.622 19108 2114 1 3 . 1 1 70 70 HIS N N 70 128.351 128.351 119.387 8.964 19108 2115 1 3 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.633 0.149 19108 2116 1 3 . 1 1 70 70 HIS CA C 70 56.716 56.716 54.763 1.953 19108 2117 1 3 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.642 1.134 19108 2118 1 3 . 1 1 70 70 HIS H H 70 9.182 9.182 8.072 1.110 19108 2119 1 3 . 1 1 71 71 ALA N N 71 125.649 125.649 124.389 1.260 19108 2120 1 3 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.947 -0.590 19108 2121 1 3 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.423 0.359 19108 2122 1 3 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.531 -0.521 19108 2123 1 3 . 1 1 71 71 ALA H H 71 8.968 8.968 9.124 -0.156 19108 2124 1 3 . 1 1 72 72 GLU N N 72 119.941 119.941 118.605 1.336 19108 2125 1 3 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.843 -0.866 19108 2126 1 3 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.527 1.429 19108 2127 1 3 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.314 -1.308 19108 2128 1 3 . 1 1 72 72 GLU H H 72 12.692 12.692 8.596 4.096 19108 2129 1 3 . 1 1 73 73 LEU N N 73 114.882 114.882 119.206 -4.324 19108 2130 1 3 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.967 -0.382 19108 2131 1 3 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.005 -1.344 19108 2132 1 3 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.801 -2.556 19108 2133 1 3 . 1 1 73 73 LEU H H 73 6.637 6.637 7.413 -0.776 19108 2134 1 3 . 1 1 74 74 ARG N N 74 117.799 117.799 117.626 0.173 19108 2135 1 3 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.169 -0.127 19108 2136 1 3 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.049 -0.874 19108 2137 1 3 . 1 1 74 74 ARG H H 74 7.556 7.556 7.607 -0.051 19108 2138 1 3 . 1 1 75 75 PHE N N 75 119.783 119.783 121.219 -1.436 19108 2139 1 3 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.085 -0.524 19108 2140 1 3 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.683 1.991 19108 2141 1 3 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.807 -0.769 19108 2142 1 3 . 1 1 75 75 PHE H H 75 8.233 8.233 8.038 0.195 19108 2143 1 3 . 1 1 76 76 LEU N N 76 119.526 119.526 120.473 -0.947 19108 2144 1 3 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.043 0.515 19108 2145 1 3 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.370 0.669 19108 2146 1 3 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.488 -2.472 19108 2147 1 3 . 1 1 76 76 LEU H H 76 7.629 7.629 7.627 0.002 19108 2148 1 3 . 1 1 77 77 ASP N N 77 118.215 118.215 120.275 -2.060 19108 2149 1 3 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.243 -0.085 19108 2150 1 3 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.760 -0.360 19108 2151 1 3 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.639 -0.271 19108 2152 1 3 . 1 1 77 77 ASP H H 77 8.190 8.190 7.684 0.506 19108 2153 1 3 . 1 1 78 78 LEU N N 78 117.496 117.496 115.765 1.731 19108 2154 1 3 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.545 -0.255 19108 2155 1 3 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.862 -0.877 19108 2156 1 3 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.367 0.034 19108 2157 1 3 . 1 1 78 78 LEU H H 78 7.252 7.252 7.581 -0.329 19108 2158 1 3 . 1 1 79 79 VAL N N 79 120.915 120.915 123.667 -2.752 19108 2159 1 3 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.818 -0.595 19108 2160 1 3 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.192 0.336 19108 2161 1 3 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.472 -0.352 19108 2162 1 3 . 1 1 79 79 VAL H H 79 7.179 7.179 8.013 -0.834 19108 2163 1 3 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.351 -0.376 19108 2164 1 3 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.638 1.149 19108 2165 1 3 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.200 -1.392 19108 2166 1 3 . 1 1 81 81 SER N N 81 112.727 112.727 111.692 1.035 19108 2167 1 3 . 1 1 81 81 SER HA H 81 4.314 4.314 4.414 -0.100 19108 2168 1 3 . 1 1 81 81 SER CA C 81 60.618 60.618 59.704 0.914 19108 2169 1 3 . 1 1 81 81 SER CB C 81 63.450 63.450 63.821 -0.371 19108 2170 1 3 . 1 1 81 81 SER H H 81 7.828 7.828 7.682 0.146 19108 2171 1 3 . 1 1 82 82 LEU N N 82 120.918 120.918 120.885 0.033 19108 2172 1 3 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.478 -0.604 19108 2173 1 3 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.741 0.751 19108 2174 1 3 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.060 -2.849 19108 2175 1 3 . 1 1 82 82 LEU H H 82 7.912 7.912 7.449 0.463 19108 2176 1 3 . 1 1 83 83 GLN N N 83 111.397 111.397 118.058 -6.661 19108 2177 1 3 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.891 -0.083 19108 2178 1 3 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.006 0.160 19108 2179 1 3 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.048 -0.380 19108 2180 1 3 . 1 1 83 83 GLN H H 83 7.458 7.458 7.566 -0.108 19108 2181 1 3 . 1 1 84 84 LEU N N 84 118.520 118.520 120.852 -2.332 19108 2182 1 3 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.044 -0.325 19108 2183 1 3 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.445 -1.703 19108 2184 1 3 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.490 -3.245 19108 2185 1 3 . 1 1 84 84 LEU H H 84 8.736 8.736 8.250 0.486 19108 2186 1 3 . 1 1 85 85 ASP N N 85 126.187 126.187 121.970 4.217 19108 2187 1 3 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.043 -0.160 19108 2188 1 3 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.830 -0.484 19108 2189 1 3 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.532 1.416 19108 2190 1 3 . 1 1 85 85 ASP H H 85 8.415 8.415 8.371 0.044 19108 2191 1 3 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.746 0.182 19108 2192 1 3 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.177 -0.539 19108 2193 1 3 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.405 -0.119 19108 2194 1 3 . 1 1 87 87 ALA N N 87 121.030 121.030 118.572 2.458 19108 2195 1 3 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.100 0.318 19108 2196 1 3 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.808 -1.636 19108 2197 1 3 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.917 0.431 19108 2198 1 3 . 1 1 87 87 ALA H H 87 8.504 8.504 7.925 0.579 19108 2199 1 3 . 1 1 88 88 GLN N N 88 119.601 119.601 113.095 6.506 19108 2200 1 3 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.616 -0.094 19108 2201 1 3 . 1 1 88 88 GLN CA C 88 53.434 53.434 53.812 -0.378 19108 2202 1 3 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.277 -1.228 19108 2203 1 3 . 1 1 88 88 GLN H H 88 8.125 8.125 7.589 0.536 19108 2204 1 3 . 1 1 89 89 ILE N N 89 118.195 118.195 118.813 -0.618 19108 2205 1 3 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.901 0.068 19108 2206 1 3 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.189 0.352 19108 2207 1 3 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.477 0.775 19108 2208 1 3 . 1 1 89 89 ILE H H 89 8.099 8.099 8.557 -0.458 19108 2209 1 3 . 1 1 90 90 TYR N N 90 122.421 122.421 123.406 -0.985 19108 2210 1 3 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.093 0.268 19108 2211 1 3 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.443 -1.403 19108 2212 1 3 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.971 -1.145 19108 2213 1 3 . 1 1 90 90 TYR H H 90 8.892 8.892 8.422 0.470 19108 2214 1 3 . 1 1 91 91 ARG N N 91 121.043 121.043 121.595 -0.552 19108 2215 1 3 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.913 0.330 19108 2216 1 3 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.442 -0.907 19108 2217 1 3 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.221 -0.089 19108 2218 1 3 . 1 1 91 91 ARG H H 91 9.327 9.327 9.171 0.156 19108 2219 1 3 . 1 1 92 92 VAL N N 92 132.287 132.287 125.811 6.476 19108 2220 1 3 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.277 -0.353 19108 2221 1 3 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.652 0.253 19108 2222 1 3 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.183 0.670 19108 2223 1 3 . 1 1 92 92 VAL H H 92 9.668 9.668 8.338 1.330 19108 2224 1 3 . 1 1 93 93 THR N N 93 124.468 124.468 123.961 0.507 19108 2225 1 3 . 1 1 93 93 THR HA H 93 5.264 5.264 4.728 0.536 19108 2226 1 3 . 1 1 93 93 THR CA C 93 61.616 61.616 62.911 -1.295 19108 2227 1 3 . 1 1 93 93 THR CB C 93 70.082 70.082 70.233 -0.151 19108 2228 1 3 . 1 1 93 93 THR H H 93 9.381 9.381 9.184 0.197 19108 2229 1 3 . 1 1 94 94 TRP N N 94 124.491 124.491 127.709 -3.218 19108 2230 1 3 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.898 0.768 19108 2231 1 3 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.425 -3.220 19108 2232 1 3 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.929 2.739 19108 2233 1 3 . 1 1 94 94 TRP H H 94 9.071 9.071 9.258 -0.187 19108 2234 1 3 . 1 1 95 95 PHE N N 95 122.179 122.179 122.709 -0.530 19108 2235 1 3 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.979 0.691 19108 2236 1 3 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.388 -0.614 19108 2237 1 3 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.338 -0.889 19108 2238 1 3 . 1 1 95 95 PHE H H 95 9.578 9.578 8.453 1.125 19108 2239 1 3 . 1 1 96 96 ILE N N 96 125.072 125.072 122.710 2.362 19108 2240 1 3 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.306 0.667 19108 2241 1 3 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.662 -1.235 19108 2242 1 3 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.759 4.314 19108 2243 1 3 . 1 1 96 96 ILE H H 96 9.816 9.816 9.310 0.506 19108 2244 1 3 . 1 1 97 97 SER N N 97 124.020 124.020 118.549 5.471 19108 2245 1 3 . 1 1 97 97 SER HA H 97 3.623 3.623 4.820 -1.197 19108 2246 1 3 . 1 1 97 97 SER CA C 97 61.750 61.750 59.462 2.288 19108 2247 1 3 . 1 1 97 97 SER CB C 97 63.711 63.711 64.323 -0.612 19108 2248 1 3 . 1 1 97 97 SER H H 97 9.156 9.156 8.514 0.642 19108 2249 1 3 . 1 1 98 98 TRP N N 98 114.829 114.829 121.845 -7.016 19108 2250 1 3 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.161 0.178 19108 2251 1 3 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.897 -2.226 19108 2252 1 3 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.067 3.684 19108 2253 1 3 . 1 1 98 98 TRP H H 98 6.619 6.619 7.800 -1.181 19108 2254 1 3 . 1 1 99 99 SER N N 99 115.444 115.444 119.854 -4.410 19108 2255 1 3 . 1 1 99 99 SER CA C 99 58.045 58.045 58.419 -0.374 19108 2256 1 3 . 1 1 99 99 SER CB C 99 61.927 61.927 63.540 -1.613 19108 2257 1 3 . 1 1 99 99 SER H H 99 8.590 8.590 8.284 0.306 19108 2258 1 3 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.078 -1.153 19108 2259 1 3 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.668 2.128 19108 2260 1 3 . 1 1 101 101 CYS N N 101 121.768 121.768 116.126 5.642 19108 2261 1 3 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.842 1.817 19108 2262 1 3 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.429 1.760 19108 2263 1 3 . 1 1 101 101 CYS H H 101 8.686 8.686 8.271 0.415 19108 2264 1 3 . 1 1 102 102 PHE N N 102 115.031 115.031 122.911 -7.880 19108 2265 1 3 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.389 1.571 19108 2266 1 3 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.664 1.493 19108 2267 1 3 . 1 1 102 102 PHE H H 102 9.318 9.318 8.469 0.849 19108 2268 1 3 . 1 1 103 103 SER N N 103 119.552 119.552 122.894 -3.342 19108 2269 1 3 . 1 1 103 103 SER HA H 103 3.713 3.713 4.183 -0.470 19108 2270 1 3 . 1 1 103 103 SER CA C 103 63.368 63.368 61.641 1.727 19108 2271 1 3 . 1 1 103 103 SER CB C 103 60.539 60.539 63.160 -2.621 19108 2272 1 3 . 1 1 103 103 SER H H 103 10.858 10.858 8.492 2.366 19108 2273 1 3 . 1 1 104 104 TRP N N 104 117.909 117.909 120.493 -2.584 19108 2274 1 3 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.943 -1.167 19108 2275 1 3 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.925 0.289 19108 2276 1 3 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.186 -1.300 19108 2277 1 3 . 1 1 104 104 TRP H H 104 7.880 7.880 8.429 -0.549 19108 2278 1 3 . 1 1 105 105 GLY N N 105 106.359 106.359 108.042 -1.683 19108 2279 1 3 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.203 -1.121 19108 2280 1 3 . 1 1 105 105 GLY H H 105 7.468 7.468 8.867 -1.399 19108 2281 1 3 . 1 1 106 106 CYS N N 106 120.359 120.359 120.903 -0.544 19108 2282 1 3 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.652 -0.793 19108 2283 1 3 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.200 4.902 19108 2284 1 3 . 1 1 106 106 CYS CB C 106 28.718 28.718 25.924 2.794 19108 2285 1 3 . 1 1 106 106 CYS H H 106 7.366 7.366 8.050 -0.684 19108 2286 1 3 . 1 1 107 107 ALA N N 107 119.725 119.725 122.707 -2.982 19108 2287 1 3 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.006 -0.141 19108 2288 1 3 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.447 1.487 19108 2289 1 3 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.166 0.277 19108 2290 1 3 . 1 1 107 107 ALA H H 107 8.719 8.719 8.531 0.188 19108 2291 1 3 . 1 1 108 108 GLY N N 108 103.829 103.829 106.927 -3.098 19108 2292 1 3 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.473 -0.579 19108 2293 1 3 . 1 1 108 108 GLY H H 108 8.555 8.555 8.269 0.286 19108 2294 1 3 . 1 1 109 109 GLU N N 109 123.162 123.162 121.327 1.835 19108 2295 1 3 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.115 0.150 19108 2296 1 3 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.726 -0.434 19108 2297 1 3 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.383 1.000 19108 2298 1 3 . 1 1 109 109 GLU H H 109 8.023 8.023 7.866 0.157 19108 2299 1 3 . 1 1 110 110 VAL N N 110 121.866 121.866 119.114 2.752 19108 2300 1 3 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.737 -0.038 19108 2301 1 3 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.578 1.465 19108 2302 1 3 . 1 1 110 110 VAL CB C 110 31.006 31.006 30.986 0.020 19108 2303 1 3 . 1 1 110 110 VAL H H 110 8.942 8.942 7.476 1.466 19108 2304 1 3 . 1 1 111 111 ARG N N 111 120.587 120.587 120.992 -0.405 19108 2305 1 3 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.738 0.048 19108 2306 1 3 . 1 1 111 111 ARG CA C 111 60.081 60.081 60.072 0.009 19108 2307 1 3 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.091 -0.916 19108 2308 1 3 . 1 1 111 111 ARG H H 111 8.653 8.653 8.687 -0.034 19108 2309 1 3 . 1 1 112 112 ALA N N 112 120.687 120.687 120.837 -0.150 19108 2310 1 3 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.020 0.114 19108 2311 1 3 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.099 0.319 19108 2312 1 3 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.401 -0.410 19108 2313 1 3 . 1 1 112 112 ALA H H 112 7.875 7.875 7.922 -0.047 19108 2314 1 3 . 1 1 113 113 PHE N N 113 118.950 118.950 119.144 -0.194 19108 2315 1 3 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.076 0.261 19108 2316 1 3 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.980 -0.604 19108 2317 1 3 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.256 0.131 19108 2318 1 3 . 1 1 113 113 PHE H H 113 8.139 8.139 7.649 0.490 19108 2319 1 3 . 1 1 114 114 LEU N N 114 120.595 120.595 119.331 1.264 19108 2320 1 3 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.803 -0.003 19108 2321 1 3 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.519 -0.386 19108 2322 1 3 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.541 -0.632 19108 2323 1 3 . 1 1 114 114 LEU H H 114 8.639 8.639 8.217 0.422 19108 2324 1 3 . 1 1 115 115 GLN N N 115 117.666 117.666 116.249 1.417 19108 2325 1 3 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.947 0.076 19108 2326 1 3 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.618 -0.232 19108 2327 1 3 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.464 0.074 19108 2328 1 3 . 1 1 115 115 GLN H H 115 8.167 8.167 8.315 -0.148 19108 2329 1 3 . 1 1 116 116 GLU N N 116 115.380 115.380 117.343 -1.963 19108 2330 1 3 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.332 -0.010 19108 2331 1 3 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.755 0.306 19108 2332 1 3 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.260 -0.545 19108 2333 1 3 . 1 1 116 116 GLU H H 116 7.448 7.448 7.704 -0.256 19108 2334 1 3 . 1 1 117 117 ASN N N 117 119.831 119.831 117.710 2.121 19108 2335 1 3 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.066 -0.001 19108 2336 1 3 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.606 -0.421 19108 2337 1 3 . 1 1 117 117 ASN CB C 117 38.246 38.246 40.061 -1.815 19108 2338 1 3 . 1 1 117 117 ASN H H 117 7.632 7.632 8.162 -0.530 19108 2339 1 3 . 1 1 118 118 THR N N 118 111.041 111.041 114.298 -3.257 19108 2340 1 3 . 1 1 118 118 THR HA H 118 4.317 4.317 4.142 0.175 19108 2341 1 3 . 1 1 118 118 THR CA C 118 64.081 64.081 63.334 0.747 19108 2342 1 3 . 1 1 118 118 THR CB C 118 68.767 68.767 68.266 0.501 19108 2343 1 3 . 1 1 118 118 THR H H 118 8.054 8.054 7.868 0.186 19108 2344 1 3 . 1 1 119 119 HIS N N 119 120.403 120.403 117.206 3.197 19108 2345 1 3 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.704 -0.415 19108 2346 1 3 . 1 1 119 119 HIS CA C 119 56.601 56.601 54.979 1.622 19108 2347 1 3 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.514 1.806 19108 2348 1 3 . 1 1 119 119 HIS H H 119 9.248 9.248 8.299 0.949 19108 2349 1 3 . 1 1 120 120 VAL N N 120 120.001 120.001 113.559 6.442 19108 2350 1 3 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.936 -0.410 19108 2351 1 3 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.469 2.421 19108 2352 1 3 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.711 -1.716 19108 2353 1 3 . 1 1 120 120 VAL H H 120 7.379 7.379 7.067 0.312 19108 2354 1 3 . 1 1 121 121 ARG N N 121 125.312 125.312 125.145 0.167 19108 2355 1 3 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.535 0.275 19108 2356 1 3 . 1 1 121 121 ARG CA C 121 53.067 53.067 53.815 -0.748 19108 2357 1 3 . 1 1 121 121 ARG CB C 121 30.580 30.580 29.969 0.611 19108 2358 1 3 . 1 1 121 121 ARG H H 121 8.775 8.775 8.304 0.471 19108 2359 1 3 . 1 1 122 122 LEU N N 122 125.483 125.483 126.940 -1.457 19108 2360 1 3 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.053 0.107 19108 2361 1 3 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.386 -0.086 19108 2362 1 3 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.984 2.688 19108 2363 1 3 . 1 1 122 122 LEU H H 122 9.345 9.345 8.664 0.681 19108 2364 1 3 . 1 1 123 123 ARG N N 123 127.748 127.748 125.310 2.438 19108 2365 1 3 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.351 0.385 19108 2366 1 3 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.772 -0.605 19108 2367 1 3 . 1 1 123 123 ARG CB C 123 32.812 32.812 31.709 1.103 19108 2368 1 3 . 1 1 123 123 ARG H H 123 9.053 9.053 8.253 0.800 19108 2369 1 3 . 1 1 124 124 ILE N N 124 123.665 123.665 123.681 -0.016 19108 2370 1 3 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.189 0.253 19108 2371 1 3 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.455 2.304 19108 2372 1 3 . 1 1 124 124 ILE CB C 124 41.893 41.893 38.397 3.496 19108 2373 1 3 . 1 1 124 124 ILE H H 124 9.019 9.019 8.464 0.555 19108 2374 1 3 . 1 1 125 125 PHE N N 125 126.320 126.320 126.130 0.190 19108 2375 1 3 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.412 -0.247 19108 2376 1 3 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.726 0.188 19108 2377 1 3 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.770 -0.951 19108 2378 1 3 . 1 1 125 125 PHE H H 125 9.359 9.359 8.104 1.255 19108 2379 1 3 . 1 1 126 126 ALA N N 126 124.526 124.526 127.693 -3.167 19108 2380 1 3 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.187 0.629 19108 2381 1 3 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.190 -1.320 19108 2382 1 3 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.683 0.650 19108 2383 1 3 . 1 1 126 126 ALA H H 126 9.091 9.091 8.524 0.567 19108 2384 1 3 . 1 1 127 127 ALA N N 127 126.272 126.272 128.321 -2.049 19108 2385 1 3 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.463 0.288 19108 2386 1 3 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.687 1.781 19108 2387 1 3 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.768 -0.163 19108 2388 1 3 . 1 1 127 127 ALA H H 127 9.049 9.049 9.077 -0.028 19108 2389 1 3 . 1 1 128 128 ARG N N 128 108.570 108.570 118.064 -9.494 19108 2390 1 3 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.498 -0.084 19108 2391 1 3 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.268 3.938 19108 2392 1 3 . 1 1 128 128 ARG H H 128 6.741 6.741 7.526 -0.785 19108 2393 1 3 . 1 1 129 129 ILE N N 129 121.285 121.285 123.842 -2.557 19108 2394 1 3 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.121 0.170 19108 2395 1 3 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.585 0.282 19108 2396 1 3 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.276 0.553 19108 2397 1 3 . 1 1 129 129 ILE H H 129 8.340 8.340 8.167 0.173 19108 2398 1 3 . 1 1 130 130 TYR N N 130 130.143 130.143 125.522 4.621 19108 2399 1 3 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.389 0.946 19108 2400 1 3 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.972 -1.046 19108 2401 1 3 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.840 -2.677 19108 2402 1 3 . 1 1 130 130 TYR H H 130 8.870 8.870 8.077 0.793 19108 2403 1 3 . 1 1 131 131 ASP N N 131 123.662 123.662 122.490 1.172 19108 2404 1 3 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.905 -1.238 19108 2405 1 3 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.315 1.398 19108 2406 1 3 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.596 -3.695 19108 2407 1 3 . 1 1 131 131 ASP H H 131 8.123 8.123 8.350 -0.227 19108 2408 1 3 . 1 1 132 132 TYR N N 132 116.852 116.852 120.403 -3.551 19108 2409 1 3 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.624 -0.709 19108 2410 1 3 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.673 -0.205 19108 2411 1 3 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.429 -0.392 19108 2412 1 3 . 1 1 132 132 TYR H H 132 6.448 6.448 8.898 -2.450 19108 2413 1 3 . 1 1 133 133 ASP N N 133 116.930 116.930 116.678 0.252 19108 2414 1 3 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.658 -1.493 19108 2415 1 3 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.616 2.166 19108 2416 1 3 . 1 1 133 133 ASP H H 133 7.005 7.005 7.841 -0.836 19108 2417 1 3 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.535 -0.432 19108 2418 1 3 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.067 -0.366 19108 2419 1 3 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.931 0.159 19108 2420 1 3 . 1 1 135 135 LEU N N 135 120.252 120.252 120.109 0.143 19108 2421 1 3 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.974 0.724 19108 2422 1 3 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.154 -2.772 19108 2423 1 3 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.589 -1.845 19108 2424 1 3 . 1 1 135 135 LEU H H 135 8.456 8.456 7.922 0.534 19108 2425 1 3 . 1 1 136 136 TYR N N 136 117.432 117.432 118.591 -1.159 19108 2426 1 3 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.005 0.056 19108 2427 1 3 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.956 1.102 19108 2428 1 3 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.266 0.314 19108 2429 1 3 . 1 1 136 136 TYR H H 136 8.028 8.028 7.653 0.375 19108 2430 1 3 . 1 1 137 137 LYS N N 137 122.000 122.000 118.822 3.178 19108 2431 1 3 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.220 1.079 19108 2432 1 3 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.710 -0.912 19108 2433 1 3 . 1 1 137 137 LYS H H 137 7.503 7.503 8.110 -0.607 19108 2434 1 3 . 1 1 138 138 GLU N N 138 121.833 121.833 119.332 2.501 19108 2435 1 3 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.959 0.882 19108 2436 1 3 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.479 -2.010 19108 2437 1 3 . 1 1 138 138 GLU H H 138 8.752 8.752 7.791 0.961 19108 2438 1 3 . 1 1 139 139 ALA N N 139 119.592 119.592 121.727 -2.135 19108 2439 1 3 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.151 -0.305 19108 2440 1 3 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.846 0.294 19108 2441 1 3 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.581 1.673 19108 2442 1 3 . 1 1 139 139 ALA H H 139 7.682 7.682 7.579 0.103 19108 2443 1 3 . 1 1 140 140 LEU N N 140 116.268 116.268 119.106 -2.838 19108 2444 1 3 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.783 0.410 19108 2445 1 3 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.738 -0.643 19108 2446 1 3 . 1 1 140 140 LEU H H 140 7.175 7.175 7.611 -0.436 19108 2447 1 3 . 1 1 141 141 GLN N N 141 117.550 117.550 118.448 -0.898 19108 2448 1 3 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.968 -0.249 19108 2449 1 3 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.554 0.497 19108 2450 1 3 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.478 -0.884 19108 2451 1 3 . 1 1 141 141 GLN H H 141 8.322 8.322 7.576 0.746 19108 2452 1 3 . 1 1 142 142 MET N N 142 118.520 118.520 119.746 -1.226 19108 2453 1 3 . 1 1 142 142 MET HA H 142 4.135 4.135 4.160 -0.025 19108 2454 1 3 . 1 1 142 142 MET CA C 142 59.051 59.051 58.671 0.380 19108 2455 1 3 . 1 1 142 142 MET CB C 142 33.170 33.170 32.471 0.699 19108 2456 1 3 . 1 1 142 142 MET H H 142 8.241 8.241 8.231 0.010 19108 2457 1 3 . 1 1 143 143 LEU N N 143 118.659 118.659 119.348 -0.689 19108 2458 1 3 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.996 0.296 19108 2459 1 3 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.478 -0.363 19108 2460 1 3 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.864 -0.487 19108 2461 1 3 . 1 1 143 143 LEU H H 143 7.932 7.932 7.681 0.251 19108 2462 1 3 . 1 1 144 144 ARG N N 144 121.294 121.294 120.359 0.935 19108 2463 1 3 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.927 0.499 19108 2464 1 3 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.359 -0.370 19108 2465 1 3 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.756 -1.648 19108 2466 1 3 . 1 1 144 144 ARG H H 144 7.968 7.968 7.558 0.410 19108 2467 1 3 . 1 1 145 145 ASP N N 145 122.553 122.553 117.800 4.753 19108 2468 1 3 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.494 -0.065 19108 2469 1 3 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.706 0.872 19108 2470 1 3 . 1 1 145 145 ASP CB C 145 39.590 39.590 39.812 -0.222 19108 2471 1 3 . 1 1 145 145 ASP H H 145 8.868 8.868 8.013 0.855 19108 2472 1 3 . 1 1 146 146 ALA N N 146 120.102 120.102 120.202 -0.100 19108 2473 1 3 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.417 0.001 19108 2474 1 3 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.426 -0.392 19108 2475 1 3 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.605 -0.310 19108 2476 1 3 . 1 1 146 146 ALA H H 146 7.737 7.737 7.762 -0.025 19108 2477 1 3 . 1 1 147 147 GLY N N 147 105.039 105.039 106.223 -1.184 19108 2478 1 3 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.805 0.059 19108 2479 1 3 . 1 1 147 147 GLY H H 147 7.966 7.966 7.735 0.231 19108 2480 1 3 . 1 1 148 148 ALA N N 148 124.181 124.181 123.324 0.857 19108 2481 1 3 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.137 0.552 19108 2482 1 3 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.348 -0.889 19108 2483 1 3 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.510 -1.031 19108 2484 1 3 . 1 1 148 148 ALA H H 148 8.051 8.051 7.725 0.326 19108 2485 1 3 . 1 1 149 149 GLN N N 149 122.185 122.185 120.234 1.951 19108 2486 1 3 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.433 0.006 19108 2487 1 3 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.880 0.075 19108 2488 1 3 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.687 -0.266 19108 2489 1 3 . 1 1 149 149 GLN H H 149 7.953 7.953 7.986 -0.033 19108 2490 1 3 . 1 1 150 150 VAL N N 150 127.399 127.399 128.238 -0.839 19108 2491 1 3 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.506 0.246 19108 2492 1 3 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.298 0.141 19108 2493 1 3 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.655 -0.477 19108 2494 1 3 . 1 1 150 150 VAL H H 150 8.658 8.658 8.489 0.169 19108 2495 1 3 . 1 1 151 151 SER N N 151 120.616 120.616 123.881 -3.265 19108 2496 1 3 . 1 1 151 151 SER HA H 151 5.179 5.179 4.778 0.401 19108 2497 1 3 . 1 1 151 151 SER CA C 151 56.981 56.981 57.519 -0.538 19108 2498 1 3 . 1 1 151 151 SER CB C 151 66.538 66.538 66.121 0.417 19108 2499 1 3 . 1 1 151 151 SER H H 151 8.737 8.737 8.322 0.415 19108 2500 1 3 . 1 1 152 152 ILE N N 152 123.180 123.180 124.011 -0.831 19108 2501 1 3 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.536 0.611 19108 2502 1 3 . 1 1 152 152 ILE CA C 152 56.518 56.518 59.629 -3.111 19108 2503 1 3 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.583 -2.503 19108 2504 1 3 . 1 1 152 152 ILE H H 152 8.672 8.672 8.615 0.057 19108 2505 1 3 . 1 1 153 153 MET N N 153 123.477 123.477 131.930 -8.453 19108 2506 1 3 . 1 1 153 153 MET HA H 153 3.886 3.886 4.559 -0.673 19108 2507 1 3 . 1 1 153 153 MET CA C 153 59.053 59.053 57.150 1.903 19108 2508 1 3 . 1 1 153 153 MET CB C 153 34.793 34.793 33.293 1.500 19108 2509 1 3 . 1 1 153 153 MET H H 153 8.314 8.314 8.324 -0.010 19108 2510 1 3 . 1 1 154 154 THR N N 154 117.621 117.621 120.382 -2.761 19108 2511 1 3 . 1 1 154 154 THR HA H 154 4.951 4.951 4.808 0.143 19108 2512 1 3 . 1 1 154 154 THR CA C 154 60.436 60.436 60.243 0.193 19108 2513 1 3 . 1 1 154 154 THR CB C 154 72.370 72.370 71.224 1.146 19108 2514 1 3 . 1 1 154 154 THR H H 154 9.630 9.630 8.379 1.251 19108 2515 1 3 . 1 1 155 155 TYR N N 155 121.751 121.751 123.675 -1.924 19108 2516 1 3 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.342 -0.243 19108 2517 1 3 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.024 2.415 19108 2518 1 3 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.364 0.922 19108 2519 1 3 . 1 1 155 155 TYR H H 155 9.769 9.769 8.876 0.893 19108 2520 1 3 . 1 1 156 156 ASP N N 156 115.555 115.555 118.419 -2.864 19108 2521 1 3 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.069 0.039 19108 2522 1 3 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.745 0.515 19108 2523 1 3 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.024 0.594 19108 2524 1 3 . 1 1 156 156 ASP H H 156 8.230 8.230 8.897 -0.667 19108 2525 1 3 . 1 1 157 157 GLU N N 157 117.678 117.678 119.033 -1.355 19108 2526 1 3 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.059 -0.189 19108 2527 1 3 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.014 1.493 19108 2528 1 3 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.297 1.750 19108 2529 1 3 . 1 1 157 157 GLU H H 157 7.470 7.470 8.395 -0.925 19108 2530 1 3 . 1 1 158 158 PHE N N 158 119.869 119.869 120.043 -0.174 19108 2531 1 3 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.893 -0.064 19108 2532 1 3 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.492 1.284 19108 2533 1 3 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.639 1.268 19108 2534 1 3 . 1 1 158 158 PHE H H 158 8.077 8.077 7.977 0.100 19108 2535 1 3 . 1 1 159 159 LYS N N 159 118.859 118.859 119.327 -0.468 19108 2536 1 3 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.703 0.214 19108 2537 1 3 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.828 -0.597 19108 2538 1 3 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.233 -0.270 19108 2539 1 3 . 1 1 159 159 LYS H H 159 8.273 8.273 7.570 0.703 19108 2540 1 3 . 1 1 160 160 HIS N N 160 115.889 115.889 119.422 -3.533 19108 2541 1 3 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.176 -0.017 19108 2542 1 3 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.758 1.223 19108 2543 1 3 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.257 -1.327 19108 2544 1 3 . 1 1 160 160 HIS H H 160 7.695 7.695 7.612 0.083 19108 2545 1 3 . 1 1 161 161 CYS N N 161 118.188 118.188 117.695 0.493 19108 2546 1 3 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.057 0.732 19108 2547 1 3 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.873 -0.079 19108 2548 1 3 . 1 1 161 161 CYS CB C 161 27.886 27.886 25.871 2.015 19108 2549 1 3 . 1 1 161 161 CYS H H 161 7.885 7.885 7.915 -0.030 19108 2550 1 3 . 1 1 162 162 TRP N N 162 122.741 122.741 122.384 0.357 19108 2551 1 3 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.298 0.466 19108 2552 1 3 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.789 -0.072 19108 2553 1 3 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.754 -0.161 19108 2554 1 3 . 1 1 162 162 TRP H H 162 8.040 8.040 7.763 0.277 19108 2555 1 3 . 1 1 163 163 ASP N N 163 113.796 113.796 115.969 -2.173 19108 2556 1 3 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.252 0.874 19108 2557 1 3 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.674 1.255 19108 2558 1 3 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.787 0.748 19108 2559 1 3 . 1 1 163 163 ASP H H 163 8.319 8.319 7.674 0.645 19108 2560 1 3 . 1 1 164 164 THR N N 164 112.008 112.008 113.536 -1.528 19108 2561 1 3 . 1 1 164 164 THR HA H 164 3.803 3.803 3.839 -0.036 19108 2562 1 3 . 1 1 164 164 THR CA C 164 65.164 65.164 65.907 -0.743 19108 2563 1 3 . 1 1 164 164 THR CB C 164 70.171 70.171 69.260 0.911 19108 2564 1 3 . 1 1 164 164 THR H H 164 7.494 7.494 7.379 0.115 19108 2565 1 3 . 1 1 165 165 PHE N N 165 115.079 115.079 118.863 -3.784 19108 2566 1 3 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.366 0.169 19108 2567 1 3 . 1 1 165 165 PHE CA C 165 57.969 57.969 58.311 -0.342 19108 2568 1 3 . 1 1 165 165 PHE CB C 165 40.368 40.368 38.328 2.040 19108 2569 1 3 . 1 1 165 165 PHE H H 165 8.235 8.235 7.770 0.465 19108 2570 1 3 . 1 1 166 166 VAL N N 166 118.432 118.432 116.679 1.753 19108 2571 1 3 . 1 1 166 166 VAL HA H 166 4.025 4.025 3.908 0.117 19108 2572 1 3 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.234 0.766 19108 2573 1 3 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.877 -3.522 19108 2574 1 3 . 1 1 166 166 VAL H H 166 6.838 6.838 6.923 -0.085 19108 2575 1 3 . 1 1 167 167 ASP N N 167 126.263 126.263 125.145 1.118 19108 2576 1 3 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.713 -0.865 19108 2577 1 3 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.357 -1.727 19108 2578 1 3 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.920 -1.840 19108 2579 1 3 . 1 1 167 167 ASP H H 167 8.498 8.498 8.473 0.025 19108 2580 1 3 . 1 1 168 168 HIS N N 168 119.890 119.890 116.198 3.692 19108 2581 1 3 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.109 0.237 19108 2582 1 3 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.648 -1.073 19108 2583 1 3 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.509 2.953 19108 2584 1 3 . 1 1 168 168 HIS H H 168 6.977 6.977 7.140 -0.163 19108 2585 1 3 . 1 1 169 169 GLN N N 169 119.254 119.254 114.190 5.064 19108 2586 1 3 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.948 -0.225 19108 2587 1 3 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.477 0.293 19108 2588 1 3 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.760 -1.239 19108 2589 1 3 . 1 1 169 169 GLN H H 169 9.126 9.126 8.556 0.570 19108 2590 1 3 . 1 1 170 170 GLY N N 170 111.911 111.911 102.019 9.892 19108 2591 1 3 . 1 1 170 170 GLY CA C 170 44.824 44.824 43.960 0.864 19108 2592 1 3 . 1 1 170 170 GLY H H 170 11.556 11.556 6.097 5.459 19108 2593 1 3 . 1 1 171 171 CYS N N 171 123.390 123.390 119.525 3.865 19108 2594 1 3 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.076 -0.360 19108 2595 1 3 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.272 1.513 19108 2596 1 3 . 1 1 171 171 CYS CB C 171 27.904 27.904 30.580 -2.676 19108 2597 1 3 . 1 1 171 171 CYS H H 171 8.044 8.044 7.856 0.188 19108 2598 1 3 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.678 -0.060 19108 2599 1 3 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.615 -0.757 19108 2600 1 3 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.538 -0.008 19108 2601 1 3 . 1 1 173 173 PHE N N 173 121.101 121.101 118.520 2.581 19108 2602 1 3 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.039 -0.383 19108 2603 1 3 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.830 0.711 19108 2604 1 3 . 1 1 173 173 PHE CB C 173 38.746 38.746 40.119 -1.373 19108 2605 1 3 . 1 1 173 173 PHE H H 173 8.842 8.842 8.122 0.720 19108 2606 1 3 . 1 1 174 174 GLN N N 174 129.493 129.493 124.466 5.027 19108 2607 1 3 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.061 0.256 19108 2608 1 3 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.252 -0.457 19108 2609 1 3 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.749 0.348 19108 2610 1 3 . 1 1 174 174 GLN H H 174 7.250 7.250 6.965 0.285 19108 2611 1 3 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.555 -0.641 19108 2612 1 3 . 1 1 175 175 PRO CA C 175 62.423 62.423 61.756 0.667 19108 2613 1 3 . 1 1 176 176 TRP N N 176 118.133 118.133 121.248 -3.115 19108 2614 1 3 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.599 0.034 19108 2615 1 3 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.264 -0.102 19108 2616 1 3 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.545 -0.656 19108 2617 1 3 . 1 1 176 176 TRP H H 176 5.591 5.591 6.491 -0.900 19108 2618 1 3 . 1 1 177 177 ASP N N 177 121.814 121.814 122.659 -0.845 19108 2619 1 3 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.575 -0.178 19108 2620 1 3 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.900 1.272 19108 2621 1 3 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.711 0.964 19108 2622 1 3 . 1 1 177 177 ASP H H 177 8.848 8.848 8.589 0.259 19108 2623 1 3 . 1 1 178 178 GLY N N 178 111.875 111.875 109.889 1.986 19108 2624 1 3 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.268 0.398 19108 2625 1 3 . 1 1 178 178 GLY H H 178 8.987 8.987 8.065 0.922 19108 2626 1 3 . 1 1 179 179 LEU N N 179 121.470 121.470 123.203 -1.733 19108 2627 1 3 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.405 0.083 19108 2628 1 3 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.279 3.503 19108 2629 1 3 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.020 0.209 19108 2630 1 3 . 1 1 179 179 LEU H H 179 7.148 7.148 8.287 -1.139 19108 2631 1 3 . 1 1 180 180 ASP N N 180 119.476 119.476 118.869 0.607 19108 2632 1 3 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.352 0.140 19108 2633 1 3 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.229 0.710 19108 2634 1 3 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.329 0.384 19108 2635 1 3 . 1 1 180 180 ASP H H 180 8.874 8.874 8.683 0.191 19108 2636 1 3 . 1 1 181 181 GLU N N 181 122.379 122.379 118.625 3.754 19108 2637 1 3 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.144 -0.132 19108 2638 1 3 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.557 0.412 19108 2639 1 3 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.614 -0.688 19108 2640 1 3 . 1 1 181 181 GLU H H 181 8.712 8.712 8.432 0.280 19108 2641 1 3 . 1 1 182 182 HIS N N 182 118.572 118.572 118.380 0.192 19108 2642 1 3 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.423 0.331 19108 2643 1 3 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.539 0.490 19108 2644 1 3 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.428 -0.580 19108 2645 1 3 . 1 1 182 182 HIS H H 182 8.854 8.854 7.944 0.910 19108 2646 1 3 . 1 1 183 183 SER N N 183 116.329 116.329 116.263 0.066 19108 2647 1 3 . 1 1 183 183 SER HA H 183 4.554 4.554 4.258 0.296 19108 2648 1 3 . 1 1 183 183 SER CA C 183 63.604 63.604 61.946 1.658 19108 2649 1 3 . 1 1 183 183 SER CB C 183 65.216 65.216 62.781 2.435 19108 2650 1 3 . 1 1 183 183 SER H H 183 8.665 8.665 8.183 0.482 19108 2651 1 3 . 1 1 184 184 GLN N N 184 122.215 122.215 120.880 1.335 19108 2652 1 3 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.041 0.206 19108 2653 1 3 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.468 0.492 19108 2654 1 3 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.384 0.551 19108 2655 1 3 . 1 1 184 184 GLN H H 184 8.714 8.714 7.554 1.160 19108 2656 1 3 . 1 1 185 185 ALA N N 185 124.432 124.432 123.119 1.313 19108 2657 1 3 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.083 0.201 19108 2658 1 3 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.982 0.487 19108 2659 1 3 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.258 0.116 19108 2660 1 3 . 1 1 185 185 ALA H H 185 8.258 8.258 7.918 0.340 19108 2661 1 3 . 1 1 186 186 LEU N N 186 119.941 119.941 118.980 0.961 19108 2662 1 3 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.828 0.384 19108 2663 1 3 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.185 0.031 19108 2664 1 3 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.865 0.899 19108 2665 1 3 . 1 1 186 186 LEU H H 186 8.953 8.953 8.218 0.735 19108 2666 1 3 . 1 1 187 187 SER N N 187 116.987 116.987 114.301 2.686 19108 2667 1 3 . 1 1 187 187 SER HA H 187 4.039 4.039 4.105 -0.066 19108 2668 1 3 . 1 1 187 187 SER CA C 187 63.302 63.302 62.813 0.489 19108 2669 1 3 . 1 1 187 187 SER CB C 187 62.760 62.760 62.649 0.111 19108 2670 1 3 . 1 1 187 187 SER H H 187 8.935 8.935 8.565 0.370 19108 2671 1 3 . 1 1 188 188 GLY N N 188 110.215 110.215 108.580 1.635 19108 2672 1 3 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.675 0.479 19108 2673 1 3 . 1 1 188 188 GLY H H 188 8.228 8.228 8.044 0.184 19108 2674 1 3 . 1 1 189 189 ARG N N 189 122.994 122.994 123.116 -0.122 19108 2675 1 3 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.174 0.063 19108 2676 1 3 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.514 1.045 19108 2677 1 3 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.838 0.557 19108 2678 1 3 . 1 1 189 189 ARG H H 189 7.838 7.838 7.868 -0.030 19108 2679 1 3 . 1 1 190 190 LEU N N 190 119.765 119.765 121.141 -1.376 19108 2680 1 3 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.026 0.212 19108 2681 1 3 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.032 0.187 19108 2682 1 3 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.829 -0.587 19108 2683 1 3 . 1 1 190 190 LEU H H 190 8.791 8.791 7.911 0.880 19108 2684 1 3 . 1 1 191 191 ARG N N 191 118.427 118.427 118.304 0.123 19108 2685 1 3 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.896 0.147 19108 2686 1 3 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.996 0.786 19108 2687 1 3 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.667 0.524 19108 2688 1 3 . 1 1 191 191 ARG H H 191 8.305 8.305 7.915 0.390 19108 2689 1 3 . 1 1 192 192 ALA N N 192 119.414 119.414 121.345 -1.931 19108 2690 1 3 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.085 0.132 19108 2691 1 3 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.918 -0.202 19108 2692 1 3 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.212 -0.047 19108 2693 1 3 . 1 1 192 192 ALA H H 192 7.414 7.414 7.548 -0.134 19108 2694 1 3 . 1 1 193 193 ILE N N 193 118.949 118.949 118.466 0.483 19108 2695 1 3 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.866 -0.096 19108 2696 1 3 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.710 1.128 19108 2697 1 3 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.005 1.441 19108 2698 1 3 . 1 1 193 193 ILE H H 193 7.896 7.896 7.715 0.181 19108 2699 1 3 . 1 1 194 194 LEU N N 194 116.435 116.435 116.743 -0.308 19108 2700 1 3 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.217 0.056 19108 2701 1 3 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.123 0.590 19108 2702 1 3 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.455 -1.984 19108 2703 1 3 . 1 1 194 194 LEU H H 194 8.296 8.296 7.658 0.638 19108 2704 1 3 . 1 1 195 195 GLN N N 195 118.580 118.580 118.413 0.167 19108 2705 1 3 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.477 -0.142 19108 2706 1 3 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.661 0.756 19108 2707 1 3 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.128 0.470 19108 2708 1 3 . 1 1 195 195 GLN H H 195 7.921 7.921 7.482 0.439 19108 2709 1 3 . 1 1 196 196 ASN N N 196 118.941 118.941 119.871 -0.930 19108 2710 1 3 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.833 -0.131 19108 2711 1 3 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.041 0.409 19108 2712 1 3 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.697 -0.872 19108 2713 1 3 . 1 1 196 196 ASN H H 196 8.078 8.078 8.468 -0.390 19108 2714 1 3 . 1 1 197 197 GLN N N 197 120.984 120.984 118.246 2.738 19108 2715 1 3 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.557 -0.201 19108 2716 1 3 . 1 1 197 197 GLN CA C 197 56.166 56.166 54.825 1.341 19108 2717 1 3 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.321 -0.825 19108 2718 1 3 . 1 1 197 197 GLN H H 197 8.526 8.526 7.801 0.725 19108 2719 1 3 . 1 1 198 198 GLY N N 198 109.565 109.565 108.096 1.469 19108 2720 1 3 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.967 0.417 19108 2721 1 3 . 1 1 198 198 GLY H H 198 8.467 8.467 8.724 -0.257 19108 2722 1 4 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.630 -0.256 19108 2723 1 4 . 1 1 2 2 GLU CA C 2 56.348 56.348 55.850 0.498 19108 2724 1 4 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.408 0.045 19108 2725 1 4 . 1 1 3 3 ALA N N 3 125.932 125.932 122.188 3.744 19108 2726 1 4 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.097 0.253 19108 2727 1 4 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.696 -0.289 19108 2728 1 4 . 1 1 3 3 ALA CB C 3 19.580 19.580 17.804 1.776 19108 2729 1 4 . 1 1 3 3 ALA H H 3 8.526 8.526 8.597 -0.071 19108 2730 1 4 . 1 1 4 4 SER N N 4 116.729 116.729 114.821 1.908 19108 2731 1 4 . 1 1 4 4 SER HA H 4 4.766 4.766 4.362 0.404 19108 2732 1 4 . 1 1 4 4 SER CA C 4 56.283 56.283 59.208 -2.925 19108 2733 1 4 . 1 1 4 4 SER CB C 4 63.278 63.278 62.718 0.560 19108 2734 1 4 . 1 1 4 4 SER H H 4 8.397 8.397 8.483 -0.086 19108 2735 1 4 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.538 -0.092 19108 2736 1 4 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.393 0.913 19108 2737 1 4 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.466 -0.369 19108 2738 1 4 . 1 1 6 6 ALA N N 6 124.236 124.236 122.154 2.082 19108 2739 1 4 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.536 -0.203 19108 2740 1 4 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.571 0.992 19108 2741 1 4 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.662 0.672 19108 2742 1 4 . 1 1 6 6 ALA H H 6 8.411 8.411 8.412 -0.001 19108 2743 1 4 . 1 1 7 7 SER N N 7 114.497 114.497 114.366 0.131 19108 2744 1 4 . 1 1 7 7 SER HA H 7 4.475 4.475 4.226 0.249 19108 2745 1 4 . 1 1 7 7 SER CA C 7 58.258 58.258 58.402 -0.144 19108 2746 1 4 . 1 1 7 7 SER CB C 7 64.174 64.174 63.970 0.204 19108 2747 1 4 . 1 1 7 7 SER H H 7 8.195 8.195 7.884 0.311 19108 2748 1 4 . 1 1 8 8 GLY N N 8 110.497 110.497 113.192 -2.695 19108 2749 1 4 . 1 1 8 8 GLY CA C 8 44.846 44.846 43.199 1.647 19108 2750 1 4 . 1 1 8 8 GLY H H 8 8.226 8.226 8.155 0.071 19108 2751 1 4 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.259 0.190 19108 2752 1 4 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.854 -0.420 19108 2753 1 4 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.123 0.070 19108 2754 1 4 . 1 1 10 10 ARG N N 10 120.534 120.534 117.545 2.989 19108 2755 1 4 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.026 0.315 19108 2756 1 4 . 1 1 10 10 ARG CA C 10 56.016 56.016 57.844 -1.828 19108 2757 1 4 . 1 1 10 10 ARG CB C 10 30.809 30.809 29.116 1.694 19108 2758 1 4 . 1 1 10 10 ARG H H 10 8.469 8.469 8.586 -0.117 19108 2759 1 4 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.640 0.185 19108 2760 1 4 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.606 -0.145 19108 2761 1 4 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.323 -0.132 19108 2762 1 4 . 1 1 12 12 LEU N N 12 122.284 122.284 124.078 -1.794 19108 2763 1 4 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.839 0.770 19108 2764 1 4 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.882 1.149 19108 2765 1 4 . 1 1 12 12 LEU H H 12 8.250 8.250 8.199 0.051 19108 2766 1 4 . 1 1 13 13 MET N N 13 121.493 121.493 119.999 1.494 19108 2767 1 4 . 1 1 13 13 MET HA H 13 4.038 4.038 4.459 -0.421 19108 2768 1 4 . 1 1 13 13 MET CA C 13 54.449 54.449 55.169 -0.720 19108 2769 1 4 . 1 1 13 13 MET CB C 13 35.015 35.015 34.154 0.861 19108 2770 1 4 . 1 1 13 13 MET H H 13 8.955 8.955 8.437 0.518 19108 2771 1 4 . 1 1 14 14 ASP N N 14 127.113 127.113 126.780 0.333 19108 2772 1 4 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.344 -0.244 19108 2773 1 4 . 1 1 14 14 ASP CA C 14 52.456 52.456 55.066 -2.610 19108 2774 1 4 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.816 1.694 19108 2775 1 4 . 1 1 14 14 ASP H H 14 8.514 8.514 8.708 -0.194 19108 2776 1 4 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.006 -0.153 19108 2777 1 4 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.088 0.566 19108 2778 1 4 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.866 -0.215 19108 2779 1 4 . 1 1 16 16 HIS N N 16 115.776 115.776 115.376 0.400 19108 2780 1 4 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.400 -0.122 19108 2781 1 4 . 1 1 16 16 HIS CA C 16 58.918 58.918 58.778 0.140 19108 2782 1 4 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.302 0.905 19108 2783 1 4 . 1 1 16 16 HIS H H 16 8.591 8.591 7.403 1.188 19108 2784 1 4 . 1 1 17 17 ILE N N 17 122.675 122.675 120.504 2.171 19108 2785 1 4 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.716 -0.232 19108 2786 1 4 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.462 -1.236 19108 2787 1 4 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.644 -0.547 19108 2788 1 4 . 1 1 17 17 ILE H H 17 7.558 7.558 8.061 -0.503 19108 2789 1 4 . 1 1 18 18 PHE N N 18 120.513 120.513 121.191 -0.678 19108 2790 1 4 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.161 -0.158 19108 2791 1 4 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.782 1.022 19108 2792 1 4 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.440 0.200 19108 2793 1 4 . 1 1 18 18 PHE H H 18 7.831 7.831 8.183 -0.352 19108 2794 1 4 . 1 1 19 19 THR N N 19 114.555 114.555 115.250 -0.695 19108 2795 1 4 . 1 1 19 19 THR HA H 19 3.657 3.657 4.067 -0.410 19108 2796 1 4 . 1 1 19 19 THR CA C 19 66.485 66.485 66.132 0.353 19108 2797 1 4 . 1 1 19 19 THR CB C 19 68.345 68.345 68.305 0.041 19108 2798 1 4 . 1 1 19 19 THR H H 19 9.036 9.036 8.483 0.553 19108 2799 1 4 . 1 1 20 20 SER N N 20 113.030 113.030 117.128 -4.098 19108 2800 1 4 . 1 1 20 20 SER HA H 20 4.062 4.062 4.218 -0.156 19108 2801 1 4 . 1 1 20 20 SER CA C 20 60.610 60.610 61.104 -0.494 19108 2802 1 4 . 1 1 20 20 SER CB C 20 63.843 63.843 63.179 0.664 19108 2803 1 4 . 1 1 20 20 SER H H 20 7.809 7.809 8.730 -0.921 19108 2804 1 4 . 1 1 21 21 ASN N N 21 115.629 115.629 117.647 -2.018 19108 2805 1 4 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.217 0.194 19108 2806 1 4 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.891 2.098 19108 2807 1 4 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.981 3.599 19108 2808 1 4 . 1 1 21 21 ASN H H 21 7.362 7.362 7.460 -0.098 19108 2809 1 4 . 1 1 22 22 PHE N N 22 117.773 117.773 113.569 4.204 19108 2810 1 4 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.544 -0.271 19108 2811 1 4 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.552 -0.092 19108 2812 1 4 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.439 -1.609 19108 2813 1 4 . 1 1 22 22 PHE H H 22 8.296 8.296 7.446 0.850 19108 2814 1 4 . 1 1 23 23 ASN N N 23 115.026 115.026 121.391 -6.365 19108 2815 1 4 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.274 0.255 19108 2816 1 4 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.438 0.204 19108 2817 1 4 . 1 1 23 23 ASN CB C 23 36.623 36.623 39.284 -2.661 19108 2818 1 4 . 1 1 23 23 ASN H H 23 6.097 6.097 7.487 -1.390 19108 2819 1 4 . 1 1 24 24 ASN N N 24 122.900 122.900 124.840 -1.940 19108 2820 1 4 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.172 0.261 19108 2821 1 4 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.932 -0.659 19108 2822 1 4 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.647 0.245 19108 2823 1 4 . 1 1 24 24 ASN H H 24 7.083 7.083 7.750 -0.667 19108 2824 1 4 . 1 1 25 25 GLY N N 25 105.587 105.587 111.861 -6.274 19108 2825 1 4 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.619 0.246 19108 2826 1 4 . 1 1 25 25 GLY H H 25 8.520 8.520 8.524 -0.004 19108 2827 1 4 . 1 1 26 26 ILE N N 26 120.182 120.182 117.648 2.534 19108 2828 1 4 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.413 -0.239 19108 2829 1 4 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.812 1.631 19108 2830 1 4 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.814 0.701 19108 2831 1 4 . 1 1 26 26 ILE H H 26 6.944 6.944 7.569 -0.625 19108 2832 1 4 . 1 1 27 27 GLY N N 27 111.665 111.665 105.840 5.825 19108 2833 1 4 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.934 0.385 19108 2834 1 4 . 1 1 27 27 GLY H H 27 8.457 8.457 8.503 -0.046 19108 2835 1 4 . 1 1 28 28 ARG N N 28 117.565 117.565 119.898 -2.333 19108 2836 1 4 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.081 -1.516 19108 2837 1 4 . 1 1 28 28 ARG H H 28 6.741 6.741 8.174 -1.433 19108 2838 1 4 . 1 1 29 29 HIS CA C 29 58.003 58.003 54.696 3.307 19108 2839 1 4 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.832 1.212 19108 2840 1 4 . 1 1 29 29 HIS H H 29 8.636 8.636 8.792 -0.156 19108 2841 1 4 . 1 1 30 30 LYS N N 30 119.344 119.344 121.349 -2.005 19108 2842 1 4 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.339 0.082 19108 2843 1 4 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.221 1.643 19108 2844 1 4 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.529 1.663 19108 2845 1 4 . 1 1 30 30 LYS H H 30 7.870 7.870 6.996 0.874 19108 2846 1 4 . 1 1 31 31 THR N N 31 118.233 118.233 115.976 2.257 19108 2847 1 4 . 1 1 31 31 THR HA H 31 4.125 4.125 3.639 0.486 19108 2848 1 4 . 1 1 31 31 THR CA C 31 63.175 63.175 64.258 -1.083 19108 2849 1 4 . 1 1 31 31 THR H H 31 8.436 8.436 7.294 1.142 19108 2850 1 4 . 1 1 32 32 TYR N N 32 124.026 124.026 125.890 -1.864 19108 2851 1 4 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.838 0.098 19108 2852 1 4 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.809 -0.308 19108 2853 1 4 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.476 2.928 19108 2854 1 4 . 1 1 32 32 TYR H H 32 8.244 8.244 8.361 -0.117 19108 2855 1 4 . 1 1 33 33 LEU N N 33 125.428 125.428 124.983 0.445 19108 2856 1 4 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.181 -0.102 19108 2857 1 4 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.533 1.305 19108 2858 1 4 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.297 1.687 19108 2859 1 4 . 1 1 33 33 LEU H H 33 9.232 9.232 8.295 0.937 19108 2860 1 4 . 1 1 34 34 CYS N N 34 125.975 125.975 126.576 -0.601 19108 2861 1 4 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.199 -0.193 19108 2862 1 4 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.097 2.048 19108 2863 1 4 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.451 1.851 19108 2864 1 4 . 1 1 34 34 CYS H H 34 9.640 9.640 9.259 0.381 19108 2865 1 4 . 1 1 35 35 TYR N N 35 121.183 121.183 121.425 -0.242 19108 2866 1 4 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.805 0.683 19108 2867 1 4 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.789 -0.007 19108 2868 1 4 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.958 2.132 19108 2869 1 4 . 1 1 35 35 TYR H H 35 9.094 9.094 8.650 0.444 19108 2870 1 4 . 1 1 36 36 GLU N N 36 115.538 115.538 119.536 -3.998 19108 2871 1 4 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.929 0.506 19108 2872 1 4 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.128 0.263 19108 2873 1 4 . 1 1 36 36 GLU CB C 36 34.544 34.544 33.889 0.655 19108 2874 1 4 . 1 1 36 36 GLU H H 36 8.977 8.977 8.646 0.331 19108 2875 1 4 . 1 1 37 37 VAL N N 37 121.600 121.600 123.660 -2.060 19108 2876 1 4 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.635 0.524 19108 2877 1 4 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.502 1.546 19108 2878 1 4 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.270 0.800 19108 2879 1 4 . 1 1 37 37 VAL H H 37 9.271 9.271 9.208 0.063 19108 2880 1 4 . 1 1 38 38 GLU N N 38 125.227 125.227 126.047 -0.820 19108 2881 1 4 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.030 0.188 19108 2882 1 4 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.672 -0.420 19108 2883 1 4 . 1 1 38 38 GLU CB C 38 34.927 34.927 32.916 2.011 19108 2884 1 4 . 1 1 38 38 GLU H H 38 9.114 9.114 8.326 0.788 19108 2885 1 4 . 1 1 39 39 ARG N N 39 124.872 124.872 125.605 -0.733 19108 2886 1 4 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.394 0.971 19108 2887 1 4 . 1 1 39 39 ARG CA C 39 55.247 55.247 56.033 -0.786 19108 2888 1 4 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.726 0.839 19108 2889 1 4 . 1 1 39 39 ARG H H 39 9.215 9.215 8.320 0.895 19108 2890 1 4 . 1 1 40 40 LEU N N 40 126.510 126.510 127.820 -1.310 19108 2891 1 4 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.650 0.103 19108 2892 1 4 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.934 -0.611 19108 2893 1 4 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.321 -2.478 19108 2894 1 4 . 1 1 40 40 LEU H H 40 8.659 8.659 7.798 0.861 19108 2895 1 4 . 1 1 41 41 ASP N N 41 124.410 124.410 124.015 0.395 19108 2896 1 4 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.827 -0.034 19108 2897 1 4 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.275 -0.057 19108 2898 1 4 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.235 -0.502 19108 2899 1 4 . 1 1 41 41 ASP H H 41 8.575 8.575 8.824 -0.249 19108 2900 1 4 . 1 1 42 42 ASN N N 42 123.319 123.319 121.909 1.410 19108 2901 1 4 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.316 0.104 19108 2902 1 4 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.189 0.984 19108 2903 1 4 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.572 -0.725 19108 2904 1 4 . 1 1 42 42 ASN H H 42 9.048 9.048 9.117 -0.069 19108 2905 1 4 . 1 1 43 43 GLY N N 43 106.044 106.044 104.079 1.965 19108 2906 1 4 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.343 0.051 19108 2907 1 4 . 1 1 43 43 GLY H H 43 8.548 8.548 8.376 0.172 19108 2908 1 4 . 1 1 44 44 THR N N 44 115.893 115.893 120.928 -5.035 19108 2909 1 4 . 1 1 44 44 THR HA H 44 4.524 4.524 4.324 0.200 19108 2910 1 4 . 1 1 44 44 THR CA C 44 61.285 61.285 63.293 -2.008 19108 2911 1 4 . 1 1 44 44 THR CB C 44 70.572 70.572 69.172 1.400 19108 2912 1 4 . 1 1 44 44 THR H H 44 7.833 7.833 7.864 -0.031 19108 2913 1 4 . 1 1 45 45 SER N N 45 119.589 119.589 122.982 -3.393 19108 2914 1 4 . 1 1 45 45 SER HA H 45 4.804 4.804 4.777 0.027 19108 2915 1 4 . 1 1 45 45 SER CA C 45 58.080 58.080 57.691 0.389 19108 2916 1 4 . 1 1 45 45 SER CB C 45 64.265 64.265 63.721 0.543 19108 2917 1 4 . 1 1 45 45 SER H H 45 8.590 8.590 8.688 -0.098 19108 2918 1 4 . 1 1 46 46 VAL N N 46 125.827 125.827 127.626 -1.799 19108 2919 1 4 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.266 0.027 19108 2920 1 4 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.490 0.353 19108 2921 1 4 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.244 1.273 19108 2922 1 4 . 1 1 46 46 VAL H H 46 9.034 9.034 8.924 0.110 19108 2923 1 4 . 1 1 47 47 LYS N N 47 126.528 126.528 128.490 -1.962 19108 2924 1 4 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.403 -0.118 19108 2925 1 4 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.125 1.540 19108 2926 1 4 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.232 -0.440 19108 2927 1 4 . 1 1 47 47 LYS H H 47 8.738 8.738 8.319 0.419 19108 2928 1 4 . 1 1 48 48 MET N N 48 122.645 122.645 126.632 -3.987 19108 2929 1 4 . 1 1 48 48 MET HA H 48 5.195 5.195 4.571 0.624 19108 2930 1 4 . 1 1 48 48 MET CA C 48 54.747 54.747 55.956 -1.209 19108 2931 1 4 . 1 1 48 48 MET CB C 48 32.379 32.379 33.494 -1.115 19108 2932 1 4 . 1 1 48 48 MET H H 48 8.334 8.334 8.196 0.138 19108 2933 1 4 . 1 1 49 49 ASP N N 49 123.713 123.713 122.021 1.692 19108 2934 1 4 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.521 -0.097 19108 2935 1 4 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.255 0.355 19108 2936 1 4 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.135 -0.101 19108 2937 1 4 . 1 1 49 49 ASP H H 49 8.575 8.575 8.693 -0.118 19108 2938 1 4 . 1 1 50 50 GLN N N 50 117.540 117.540 120.010 -2.470 19108 2939 1 4 . 1 1 50 50 GLN H H 50 9.110 9.110 8.438 0.672 19108 2940 1 4 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.680 0.471 19108 2941 1 4 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.399 -1.565 19108 2942 1 4 . 1 1 51 51 HIS H H 51 8.031 8.031 8.066 -0.035 19108 2943 1 4 . 1 1 52 52 ARG N N 52 117.888 117.888 120.225 -2.337 19108 2944 1 4 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.661 0.576 19108 2945 1 4 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.994 0.061 19108 2946 1 4 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.277 0.777 19108 2947 1 4 . 1 1 52 52 ARG H H 52 7.685 7.685 7.379 0.306 19108 2948 1 4 . 1 1 53 53 GLY N N 53 108.573 108.573 107.629 0.944 19108 2949 1 4 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.620 1.087 19108 2950 1 4 . 1 1 53 53 GLY H H 53 7.529 7.529 7.519 0.010 19108 2951 1 4 . 1 1 54 54 PHE N N 54 113.146 113.146 115.897 -2.751 19108 2952 1 4 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.687 0.308 19108 2953 1 4 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.163 -0.307 19108 2954 1 4 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.072 2.291 19108 2955 1 4 . 1 1 54 54 PHE H H 54 8.287 8.287 7.721 0.566 19108 2956 1 4 . 1 1 55 55 LEU N N 55 119.389 119.389 120.497 -1.108 19108 2957 1 4 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.307 0.388 19108 2958 1 4 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.962 0.750 19108 2959 1 4 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.185 0.443 19108 2960 1 4 . 1 1 55 55 LEU H H 55 9.452 9.452 8.570 0.882 19108 2961 1 4 . 1 1 56 56 HIS N N 56 114.176 114.176 113.966 0.210 19108 2962 1 4 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.046 0.393 19108 2963 1 4 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.088 0.377 19108 2964 1 4 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.768 0.699 19108 2965 1 4 . 1 1 56 56 HIS H H 56 7.709 7.709 7.676 0.033 19108 2966 1 4 . 1 1 57 57 ASN N N 57 116.522 116.522 119.289 -2.767 19108 2967 1 4 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.407 0.008 19108 2968 1 4 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.824 -0.640 19108 2969 1 4 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.533 -0.872 19108 2970 1 4 . 1 1 57 57 ASN H H 57 8.684 8.684 7.896 0.788 19108 2971 1 4 . 1 1 58 58 GLN N N 58 122.850 122.850 118.683 4.167 19108 2972 1 4 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.126 0.263 19108 2973 1 4 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.182 -2.329 19108 2974 1 4 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.145 1.237 19108 2975 1 4 . 1 1 58 58 GLN H H 58 9.099 9.099 8.281 0.818 19108 2976 1 4 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.575 -0.275 19108 2977 1 4 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.465 0.039 19108 2978 1 4 . 1 1 59 59 ALA CB C 59 19.421 19.421 20.229 -0.808 19108 2979 1 4 . 1 1 60 60 LYS N N 60 119.998 119.998 119.307 0.691 19108 2980 1 4 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.536 -0.760 19108 2981 1 4 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.103 0.198 19108 2982 1 4 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.112 -0.296 19108 2983 1 4 . 1 1 60 60 LYS H H 60 8.344 8.344 8.412 -0.068 19108 2984 1 4 . 1 1 61 61 ASN N N 61 119.688 119.688 119.034 0.654 19108 2985 1 4 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.759 -0.304 19108 2986 1 4 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.626 0.278 19108 2987 1 4 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.576 0.961 19108 2988 1 4 . 1 1 61 61 ASN H H 61 8.643 8.643 8.566 0.077 19108 2989 1 4 . 1 1 62 62 LEU N N 62 124.761 124.761 119.933 4.828 19108 2990 1 4 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.343 -0.409 19108 2991 1 4 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.494 -0.249 19108 2992 1 4 . 1 1 62 62 LEU CB C 62 40.943 40.943 42.141 -1.198 19108 2993 1 4 . 1 1 62 62 LEU H H 62 8.873 8.873 7.958 0.915 19108 2994 1 4 . 1 1 63 63 LEU N N 63 120.312 120.312 120.142 0.170 19108 2995 1 4 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.195 0.004 19108 2996 1 4 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.645 -0.568 19108 2997 1 4 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.504 -0.247 19108 2998 1 4 . 1 1 63 63 LEU H H 63 8.145 8.145 8.136 0.009 19108 2999 1 4 . 1 1 64 64 CYS N N 64 113.898 113.898 117.223 -3.325 19108 3000 1 4 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.453 -0.282 19108 3001 1 4 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.081 -1.297 19108 3002 1 4 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.450 1.268 19108 3003 1 4 . 1 1 64 64 CYS H H 64 7.376 7.376 8.072 -0.696 19108 3004 1 4 . 1 1 65 65 GLY N N 65 108.894 108.894 109.140 -0.246 19108 3005 1 4 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.742 1.242 19108 3006 1 4 . 1 1 65 65 GLY H H 65 7.789 7.789 7.386 0.403 19108 3007 1 4 . 1 1 66 66 PHE N N 66 118.711 118.711 118.075 0.636 19108 3008 1 4 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.375 -0.458 19108 3009 1 4 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.830 -0.890 19108 3010 1 4 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.298 -0.030 19108 3011 1 4 . 1 1 66 66 PHE H H 66 7.699 7.699 7.016 0.683 19108 3012 1 4 . 1 1 67 67 TYR N N 67 124.623 124.623 119.704 4.919 19108 3013 1 4 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.718 -0.418 19108 3014 1 4 . 1 1 67 67 TYR CA C 67 58.764 58.764 55.907 2.857 19108 3015 1 4 . 1 1 67 67 TYR CB C 67 38.153 38.153 37.904 0.249 19108 3016 1 4 . 1 1 67 67 TYR H H 67 8.568 8.568 6.827 1.741 19108 3017 1 4 . 1 1 69 69 ARG N N 69 121.427 121.427 121.447 -0.020 19108 3018 1 4 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.465 2.591 19108 3019 1 4 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.228 0.068 19108 3020 1 4 . 1 1 69 69 ARG H H 69 8.313 8.313 8.270 0.043 19108 3021 1 4 . 1 1 70 70 HIS N N 70 128.351 128.351 124.013 4.338 19108 3022 1 4 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.813 -0.031 19108 3023 1 4 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.091 1.625 19108 3024 1 4 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.606 1.170 19108 3025 1 4 . 1 1 70 70 HIS H H 70 9.182 9.182 7.958 1.224 19108 3026 1 4 . 1 1 71 71 ALA N N 71 125.649 125.649 124.591 1.058 19108 3027 1 4 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.979 -0.622 19108 3028 1 4 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.021 0.761 19108 3029 1 4 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.908 -0.898 19108 3030 1 4 . 1 1 71 71 ALA H H 71 8.968 8.968 8.902 0.066 19108 3031 1 4 . 1 1 72 72 GLU N N 72 119.941 119.941 118.809 1.132 19108 3032 1 4 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.729 -0.752 19108 3033 1 4 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.486 1.470 19108 3034 1 4 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.633 -0.627 19108 3035 1 4 . 1 1 72 72 GLU H H 72 12.692 12.692 8.623 4.069 19108 3036 1 4 . 1 1 73 73 LEU N N 73 114.882 114.882 119.431 -4.549 19108 3037 1 4 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.928 -0.343 19108 3038 1 4 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.616 -1.955 19108 3039 1 4 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.424 -2.179 19108 3040 1 4 . 1 1 73 73 LEU H H 73 6.637 6.637 8.240 -1.603 19108 3041 1 4 . 1 1 74 74 ARG N N 74 117.799 117.799 118.626 -0.827 19108 3042 1 4 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.286 -0.244 19108 3043 1 4 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.131 -0.956 19108 3044 1 4 . 1 1 74 74 ARG H H 74 7.556 7.556 7.370 0.186 19108 3045 1 4 . 1 1 75 75 PHE N N 75 119.783 119.783 120.733 -0.950 19108 3046 1 4 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.108 -0.547 19108 3047 1 4 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.014 1.660 19108 3048 1 4 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.740 -0.702 19108 3049 1 4 . 1 1 75 75 PHE H H 75 8.233 8.233 7.984 0.249 19108 3050 1 4 . 1 1 76 76 LEU N N 76 119.526 119.526 118.937 0.589 19108 3051 1 4 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.119 0.440 19108 3052 1 4 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.266 0.773 19108 3053 1 4 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.467 -2.450 19108 3054 1 4 . 1 1 76 76 LEU H H 76 7.629 7.629 8.241 -0.612 19108 3055 1 4 . 1 1 77 77 ASP N N 77 118.215 118.215 118.168 0.047 19108 3056 1 4 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.375 -0.217 19108 3057 1 4 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.969 -0.569 19108 3058 1 4 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.362 -0.994 19108 3059 1 4 . 1 1 77 77 ASP H H 77 8.190 8.190 7.555 0.635 19108 3060 1 4 . 1 1 78 78 LEU N N 78 117.496 117.496 116.700 0.796 19108 3061 1 4 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.320 -0.030 19108 3062 1 4 . 1 1 78 78 LEU CA C 78 54.985 54.985 56.676 -1.691 19108 3063 1 4 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.682 0.719 19108 3064 1 4 . 1 1 78 78 LEU H H 78 7.252 7.252 7.477 -0.225 19108 3065 1 4 . 1 1 79 79 VAL N N 79 120.915 120.915 122.050 -1.135 19108 3066 1 4 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.492 -0.269 19108 3067 1 4 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.655 -0.127 19108 3068 1 4 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.965 0.155 19108 3069 1 4 . 1 1 79 79 VAL H H 79 7.179 7.179 7.323 -0.144 19108 3070 1 4 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.283 -0.308 19108 3071 1 4 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.969 0.818 19108 3072 1 4 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.740 -0.932 19108 3073 1 4 . 1 1 81 81 SER N N 81 112.727 112.727 114.623 -1.896 19108 3074 1 4 . 1 1 81 81 SER HA H 81 4.314 4.314 4.217 0.097 19108 3075 1 4 . 1 1 81 81 SER CA C 81 60.618 60.618 60.902 -0.284 19108 3076 1 4 . 1 1 81 81 SER CB C 81 63.450 63.450 62.848 0.602 19108 3077 1 4 . 1 1 81 81 SER H H 81 7.828 7.828 7.844 -0.016 19108 3078 1 4 . 1 1 82 82 LEU N N 82 120.918 120.918 119.572 1.346 19108 3079 1 4 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.463 -0.589 19108 3080 1 4 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.171 0.321 19108 3081 1 4 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.881 -2.670 19108 3082 1 4 . 1 1 82 82 LEU H H 82 7.912 7.912 7.681 0.231 19108 3083 1 4 . 1 1 83 83 GLN N N 83 111.397 111.397 115.999 -4.602 19108 3084 1 4 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.993 -0.185 19108 3085 1 4 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.810 0.356 19108 3086 1 4 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.962 -0.294 19108 3087 1 4 . 1 1 83 83 GLN H H 83 7.458 7.458 7.892 -0.434 19108 3088 1 4 . 1 1 84 84 LEU N N 84 118.520 118.520 121.549 -3.029 19108 3089 1 4 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.086 -0.367 19108 3090 1 4 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.870 -1.128 19108 3091 1 4 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.852 -2.607 19108 3092 1 4 . 1 1 84 84 LEU H H 84 8.736 8.736 8.218 0.518 19108 3093 1 4 . 1 1 85 85 ASP N N 85 126.187 126.187 124.732 1.455 19108 3094 1 4 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.873 0.010 19108 3095 1 4 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.577 -0.231 19108 3096 1 4 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.013 1.935 19108 3097 1 4 . 1 1 85 85 ASP H H 85 8.415 8.415 8.112 0.303 19108 3098 1 4 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.668 -0.740 19108 3099 1 4 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.370 0.268 19108 3100 1 4 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.567 -0.281 19108 3101 1 4 . 1 1 87 87 ALA N N 87 121.030 121.030 122.150 -1.120 19108 3102 1 4 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.070 0.348 19108 3103 1 4 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.254 -2.082 19108 3104 1 4 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.908 0.440 19108 3105 1 4 . 1 1 87 87 ALA H H 87 8.504 8.504 8.411 0.093 19108 3106 1 4 . 1 1 88 88 GLN N N 88 119.601 119.601 113.691 5.910 19108 3107 1 4 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.488 0.034 19108 3108 1 4 . 1 1 88 88 GLN CA C 88 53.434 53.434 53.885 -0.451 19108 3109 1 4 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.333 -1.284 19108 3110 1 4 . 1 1 88 88 GLN H H 88 8.125 8.125 7.944 0.181 19108 3111 1 4 . 1 1 89 89 ILE N N 89 118.195 118.195 118.931 -0.736 19108 3112 1 4 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.248 0.721 19108 3113 1 4 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.133 0.408 19108 3114 1 4 . 1 1 89 89 ILE CB C 89 39.252 39.252 37.825 1.427 19108 3115 1 4 . 1 1 89 89 ILE H H 89 8.099 8.099 8.340 -0.241 19108 3116 1 4 . 1 1 90 90 TYR N N 90 122.421 122.421 123.096 -0.675 19108 3117 1 4 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.925 0.436 19108 3118 1 4 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.974 -0.934 19108 3119 1 4 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.446 -0.620 19108 3120 1 4 . 1 1 90 90 TYR H H 90 8.892 8.892 8.114 0.778 19108 3121 1 4 . 1 1 91 91 ARG N N 91 121.043 121.043 121.029 0.014 19108 3122 1 4 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.918 0.325 19108 3123 1 4 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.201 -1.666 19108 3124 1 4 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.192 -0.060 19108 3125 1 4 . 1 1 91 91 ARG H H 91 9.327 9.327 8.613 0.714 19108 3126 1 4 . 1 1 92 92 VAL N N 92 132.287 132.287 129.544 2.743 19108 3127 1 4 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.751 0.173 19108 3128 1 4 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.034 -1.129 19108 3129 1 4 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.254 -0.401 19108 3130 1 4 . 1 1 92 92 VAL H H 92 9.668 9.668 8.912 0.756 19108 3131 1 4 . 1 1 93 93 THR N N 93 124.468 124.468 124.581 -0.113 19108 3132 1 4 . 1 1 93 93 THR HA H 93 5.264 5.264 4.712 0.552 19108 3133 1 4 . 1 1 93 93 THR CA C 93 61.616 61.616 62.281 -0.665 19108 3134 1 4 . 1 1 93 93 THR CB C 93 70.082 70.082 69.755 0.327 19108 3135 1 4 . 1 1 93 93 THR H H 93 9.381 9.381 8.854 0.527 19108 3136 1 4 . 1 1 94 94 TRP N N 94 124.491 124.491 127.421 -2.930 19108 3137 1 4 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.031 0.635 19108 3138 1 4 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.940 -2.735 19108 3139 1 4 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.816 2.852 19108 3140 1 4 . 1 1 94 94 TRP H H 94 9.071 9.071 9.036 0.035 19108 3141 1 4 . 1 1 95 95 PHE N N 95 122.179 122.179 122.820 -0.641 19108 3142 1 4 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.950 0.720 19108 3143 1 4 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.284 -0.510 19108 3144 1 4 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.008 -0.559 19108 3145 1 4 . 1 1 95 95 PHE H H 95 9.578 9.578 9.173 0.405 19108 3146 1 4 . 1 1 96 96 ILE N N 96 125.072 125.072 121.626 3.446 19108 3147 1 4 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.305 0.668 19108 3148 1 4 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.591 -1.164 19108 3149 1 4 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.594 4.479 19108 3150 1 4 . 1 1 96 96 ILE H H 96 9.816 9.816 9.180 0.636 19108 3151 1 4 . 1 1 97 97 SER N N 97 124.020 124.020 117.470 6.550 19108 3152 1 4 . 1 1 97 97 SER HA H 97 3.623 3.623 4.885 -1.262 19108 3153 1 4 . 1 1 97 97 SER CA C 97 61.750 61.750 59.683 2.067 19108 3154 1 4 . 1 1 97 97 SER CB C 97 63.711 63.711 63.864 -0.153 19108 3155 1 4 . 1 1 97 97 SER H H 97 9.156 9.156 8.444 0.712 19108 3156 1 4 . 1 1 98 98 TRP N N 98 114.829 114.829 120.975 -6.146 19108 3157 1 4 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.036 0.303 19108 3158 1 4 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.476 -2.805 19108 3159 1 4 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.719 3.032 19108 3160 1 4 . 1 1 98 98 TRP H H 98 6.619 6.619 7.880 -1.261 19108 3161 1 4 . 1 1 99 99 SER N N 99 115.444 115.444 116.771 -1.327 19108 3162 1 4 . 1 1 99 99 SER CA C 99 58.045 58.045 57.066 0.979 19108 3163 1 4 . 1 1 99 99 SER CB C 99 61.927 61.927 63.153 -1.226 19108 3164 1 4 . 1 1 99 99 SER H H 99 8.590 8.590 8.529 0.061 19108 3165 1 4 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.846 -1.921 19108 3166 1 4 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.326 2.470 19108 3167 1 4 . 1 1 101 101 CYS N N 101 121.768 121.768 115.648 6.120 19108 3168 1 4 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.967 1.692 19108 3169 1 4 . 1 1 101 101 CYS CB C 101 30.189 30.189 27.222 2.967 19108 3170 1 4 . 1 1 101 101 CYS H H 101 8.686 8.686 8.413 0.273 19108 3171 1 4 . 1 1 102 102 PHE N N 102 115.031 115.031 123.854 -8.823 19108 3172 1 4 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.033 1.927 19108 3173 1 4 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.506 1.651 19108 3174 1 4 . 1 1 102 102 PHE H H 102 9.318 9.318 8.612 0.706 19108 3175 1 4 . 1 1 103 103 SER N N 103 119.552 119.552 120.845 -1.293 19108 3176 1 4 . 1 1 103 103 SER HA H 103 3.713 3.713 4.212 -0.499 19108 3177 1 4 . 1 1 103 103 SER CA C 103 63.368 63.368 61.730 1.638 19108 3178 1 4 . 1 1 103 103 SER CB C 103 60.539 60.539 63.167 -2.628 19108 3179 1 4 . 1 1 103 103 SER H H 103 10.858 10.858 8.945 1.913 19108 3180 1 4 . 1 1 104 104 TRP N N 104 117.909 117.909 122.098 -4.189 19108 3181 1 4 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.772 -0.996 19108 3182 1 4 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.040 0.174 19108 3183 1 4 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.615 -1.729 19108 3184 1 4 . 1 1 104 104 TRP H H 104 7.880 7.880 8.768 -0.888 19108 3185 1 4 . 1 1 105 105 GLY N N 105 106.359 106.359 108.219 -1.860 19108 3186 1 4 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.977 -0.896 19108 3187 1 4 . 1 1 105 105 GLY H H 105 7.468 7.468 8.525 -1.057 19108 3188 1 4 . 1 1 106 106 CYS N N 106 120.359 120.359 121.366 -1.007 19108 3189 1 4 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.487 -0.628 19108 3190 1 4 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.380 3.721 19108 3191 1 4 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.404 2.314 19108 3192 1 4 . 1 1 106 106 CYS H H 106 7.366 7.366 8.724 -1.358 19108 3193 1 4 . 1 1 107 107 ALA N N 107 119.725 119.725 122.227 -2.502 19108 3194 1 4 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.057 -0.192 19108 3195 1 4 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.155 1.779 19108 3196 1 4 . 1 1 107 107 ALA CB C 107 18.443 18.443 17.992 0.451 19108 3197 1 4 . 1 1 107 107 ALA H H 107 8.719 8.719 8.713 0.006 19108 3198 1 4 . 1 1 108 108 GLY N N 108 103.829 103.829 107.599 -3.770 19108 3199 1 4 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.185 -0.291 19108 3200 1 4 . 1 1 108 108 GLY H H 108 8.555 8.555 8.045 0.510 19108 3201 1 4 . 1 1 109 109 GLU N N 109 123.162 123.162 122.453 0.709 19108 3202 1 4 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.123 0.143 19108 3203 1 4 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.372 -0.080 19108 3204 1 4 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.547 0.836 19108 3205 1 4 . 1 1 109 109 GLU H H 109 8.023 8.023 7.791 0.232 19108 3206 1 4 . 1 1 110 110 VAL N N 110 121.866 121.866 119.879 1.987 19108 3207 1 4 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.749 -0.050 19108 3208 1 4 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.008 1.035 19108 3209 1 4 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.416 -0.410 19108 3210 1 4 . 1 1 110 110 VAL H H 110 8.942 8.942 8.553 0.389 19108 3211 1 4 . 1 1 111 111 ARG N N 111 120.587 120.587 120.688 -0.101 19108 3212 1 4 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.753 0.033 19108 3213 1 4 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.899 0.182 19108 3214 1 4 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.964 -0.789 19108 3215 1 4 . 1 1 111 111 ARG H H 111 8.653 8.653 8.435 0.218 19108 3216 1 4 . 1 1 112 112 ALA N N 112 120.687 120.687 120.603 0.084 19108 3217 1 4 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.056 0.078 19108 3218 1 4 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.898 0.520 19108 3219 1 4 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.075 -0.084 19108 3220 1 4 . 1 1 112 112 ALA H H 112 7.875 7.875 7.918 -0.043 19108 3221 1 4 . 1 1 113 113 PHE N N 113 118.950 118.950 119.054 -0.104 19108 3222 1 4 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.098 0.239 19108 3223 1 4 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.855 -0.479 19108 3224 1 4 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.295 0.092 19108 3225 1 4 . 1 1 113 113 PHE H H 113 8.139 8.139 7.662 0.477 19108 3226 1 4 . 1 1 114 114 LEU N N 114 120.595 120.595 119.664 0.931 19108 3227 1 4 . 1 1 114 114 LEU HA H 114 3.800 3.800 4.010 -0.210 19108 3228 1 4 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.396 -0.263 19108 3229 1 4 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.636 -0.728 19108 3230 1 4 . 1 1 114 114 LEU H H 114 8.639 8.639 7.996 0.643 19108 3231 1 4 . 1 1 115 115 GLN N N 115 117.666 117.666 117.076 0.590 19108 3232 1 4 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.928 0.095 19108 3233 1 4 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.659 -0.273 19108 3234 1 4 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.415 0.123 19108 3235 1 4 . 1 1 115 115 GLN H H 115 8.167 8.167 8.094 0.073 19108 3236 1 4 . 1 1 116 116 GLU N N 116 115.380 115.380 116.526 -1.146 19108 3237 1 4 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.294 0.028 19108 3238 1 4 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.764 0.298 19108 3239 1 4 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.682 -0.967 19108 3240 1 4 . 1 1 116 116 GLU H H 116 7.448 7.448 7.690 -0.242 19108 3241 1 4 . 1 1 117 117 ASN N N 117 119.831 119.831 117.118 2.713 19108 3242 1 4 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.767 0.298 19108 3243 1 4 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.552 -0.367 19108 3244 1 4 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.001 -0.755 19108 3245 1 4 . 1 1 117 117 ASN H H 117 7.632 7.632 8.252 -0.620 19108 3246 1 4 . 1 1 118 118 THR N N 118 111.041 111.041 115.518 -4.477 19108 3247 1 4 . 1 1 118 118 THR HA H 118 4.317 4.317 4.214 0.103 19108 3248 1 4 . 1 1 118 118 THR CA C 118 64.081 64.081 62.205 1.876 19108 3249 1 4 . 1 1 118 118 THR CB C 118 68.767 68.767 68.720 0.047 19108 3250 1 4 . 1 1 118 118 THR H H 118 8.054 8.054 7.774 0.280 19108 3251 1 4 . 1 1 119 119 HIS N N 119 120.403 120.403 115.498 4.905 19108 3252 1 4 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.621 -0.332 19108 3253 1 4 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.066 1.535 19108 3254 1 4 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.359 0.961 19108 3255 1 4 . 1 1 119 119 HIS H H 119 9.248 9.248 8.296 0.952 19108 3256 1 4 . 1 1 120 120 VAL N N 120 120.001 120.001 119.628 0.373 19108 3257 1 4 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.667 -0.141 19108 3258 1 4 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.745 3.145 19108 3259 1 4 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.833 -1.838 19108 3260 1 4 . 1 1 120 120 VAL H H 120 7.379 7.379 7.386 -0.007 19108 3261 1 4 . 1 1 121 121 ARG N N 121 125.312 125.312 127.742 -2.430 19108 3262 1 4 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.467 0.343 19108 3263 1 4 . 1 1 121 121 ARG CA C 121 53.067 53.067 53.354 -0.287 19108 3264 1 4 . 1 1 121 121 ARG CB C 121 30.580 30.580 29.810 0.770 19108 3265 1 4 . 1 1 121 121 ARG H H 121 8.775 8.775 8.305 0.470 19108 3266 1 4 . 1 1 122 122 LEU N N 122 125.483 125.483 126.658 -1.175 19108 3267 1 4 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.948 0.212 19108 3268 1 4 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.362 -0.061 19108 3269 1 4 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.153 2.519 19108 3270 1 4 . 1 1 122 122 LEU H H 122 9.345 9.345 8.678 0.667 19108 3271 1 4 . 1 1 123 123 ARG N N 123 127.748 127.748 125.343 2.405 19108 3272 1 4 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.479 0.257 19108 3273 1 4 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.434 -0.267 19108 3274 1 4 . 1 1 123 123 ARG CB C 123 32.812 32.812 33.936 -1.124 19108 3275 1 4 . 1 1 123 123 ARG H H 123 9.053 9.053 8.116 0.937 19108 3276 1 4 . 1 1 124 124 ILE N N 124 123.665 123.665 123.022 0.643 19108 3277 1 4 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.231 0.211 19108 3278 1 4 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.007 0.752 19108 3279 1 4 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.547 1.346 19108 3280 1 4 . 1 1 124 124 ILE H H 124 9.019 9.019 8.592 0.427 19108 3281 1 4 . 1 1 125 125 PHE N N 125 126.320 126.320 127.389 -1.069 19108 3282 1 4 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.409 -0.244 19108 3283 1 4 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.855 0.059 19108 3284 1 4 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.878 -0.059 19108 3285 1 4 . 1 1 125 125 PHE H H 125 9.359 9.359 8.136 1.223 19108 3286 1 4 . 1 1 126 126 ALA N N 126 124.526 124.526 127.932 -3.406 19108 3287 1 4 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.984 0.832 19108 3288 1 4 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.703 -1.833 19108 3289 1 4 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.216 1.118 19108 3290 1 4 . 1 1 126 126 ALA H H 126 9.091 9.091 8.465 0.626 19108 3291 1 4 . 1 1 127 127 ALA N N 127 126.272 126.272 129.828 -3.556 19108 3292 1 4 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.379 0.372 19108 3293 1 4 . 1 1 127 127 ALA CA C 127 55.468 55.468 54.372 1.096 19108 3294 1 4 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.746 -0.141 19108 3295 1 4 . 1 1 127 127 ALA H H 127 9.049 9.049 8.989 0.060 19108 3296 1 4 . 1 1 128 128 ARG N N 128 108.570 108.570 116.434 -7.864 19108 3297 1 4 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.340 0.074 19108 3298 1 4 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.996 3.210 19108 3299 1 4 . 1 1 128 128 ARG H H 128 6.741 6.741 7.560 -0.819 19108 3300 1 4 . 1 1 129 129 ILE N N 129 121.285 121.285 120.483 0.802 19108 3301 1 4 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.232 0.059 19108 3302 1 4 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.810 0.057 19108 3303 1 4 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.248 -0.419 19108 3304 1 4 . 1 1 129 129 ILE H H 129 8.340 8.340 8.358 -0.018 19108 3305 1 4 . 1 1 130 130 TYR N N 130 130.143 130.143 126.554 3.589 19108 3306 1 4 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.272 1.063 19108 3307 1 4 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.480 -0.554 19108 3308 1 4 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.308 -2.145 19108 3309 1 4 . 1 1 130 130 TYR H H 130 8.870 8.870 8.418 0.452 19108 3310 1 4 . 1 1 131 131 ASP N N 131 123.662 123.662 122.516 1.146 19108 3311 1 4 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.836 -1.169 19108 3312 1 4 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.060 1.653 19108 3313 1 4 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.610 -4.709 19108 3314 1 4 . 1 1 131 131 ASP H H 131 8.123 8.123 7.928 0.195 19108 3315 1 4 . 1 1 132 132 TYR N N 132 116.852 116.852 120.164 -3.312 19108 3316 1 4 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.726 -0.811 19108 3317 1 4 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.289 0.179 19108 3318 1 4 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.593 -0.556 19108 3319 1 4 . 1 1 132 132 TYR H H 132 6.448 6.448 8.717 -2.269 19108 3320 1 4 . 1 1 133 133 ASP N N 133 116.930 116.930 118.896 -1.966 19108 3321 1 4 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.652 -1.487 19108 3322 1 4 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.084 2.698 19108 3323 1 4 . 1 1 133 133 ASP H H 133 7.005 7.005 8.124 -1.119 19108 3324 1 4 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.607 -0.504 19108 3325 1 4 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.039 -0.338 19108 3326 1 4 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.837 0.253 19108 3327 1 4 . 1 1 135 135 LEU N N 135 120.252 120.252 119.824 0.428 19108 3328 1 4 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.092 0.606 19108 3329 1 4 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.981 -2.600 19108 3330 1 4 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.415 -1.671 19108 3331 1 4 . 1 1 135 135 LEU H H 135 8.456 8.456 8.005 0.451 19108 3332 1 4 . 1 1 136 136 TYR N N 136 117.432 117.432 118.612 -1.180 19108 3333 1 4 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.066 -0.005 19108 3334 1 4 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.631 1.427 19108 3335 1 4 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.047 0.533 19108 3336 1 4 . 1 1 136 136 TYR H H 136 8.028 8.028 7.730 0.298 19108 3337 1 4 . 1 1 137 137 LYS N N 137 122.000 122.000 118.781 3.219 19108 3338 1 4 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.897 1.402 19108 3339 1 4 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.955 -1.157 19108 3340 1 4 . 1 1 137 137 LYS H H 137 7.503 7.503 7.872 -0.369 19108 3341 1 4 . 1 1 138 138 GLU N N 138 121.833 121.833 118.933 2.900 19108 3342 1 4 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.050 0.791 19108 3343 1 4 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.387 -1.918 19108 3344 1 4 . 1 1 138 138 GLU H H 138 8.752 8.752 7.696 1.056 19108 3345 1 4 . 1 1 139 139 ALA N N 139 119.592 119.592 123.077 -3.485 19108 3346 1 4 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.134 -0.288 19108 3347 1 4 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.116 0.024 19108 3348 1 4 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.264 1.991 19108 3349 1 4 . 1 1 139 139 ALA H H 139 7.682 7.682 7.572 0.110 19108 3350 1 4 . 1 1 140 140 LEU N N 140 116.268 116.268 118.419 -2.151 19108 3351 1 4 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.785 0.408 19108 3352 1 4 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.558 -0.463 19108 3353 1 4 . 1 1 140 140 LEU H H 140 7.175 7.175 7.588 -0.413 19108 3354 1 4 . 1 1 141 141 GLN N N 141 117.550 117.550 118.440 -0.890 19108 3355 1 4 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.129 -0.410 19108 3356 1 4 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.255 0.796 19108 3357 1 4 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.409 -0.815 19108 3358 1 4 . 1 1 141 141 GLN H H 141 8.322 8.322 7.536 0.786 19108 3359 1 4 . 1 1 142 142 MET N N 142 118.520 118.520 119.028 -0.508 19108 3360 1 4 . 1 1 142 142 MET HA H 142 4.135 4.135 4.008 0.127 19108 3361 1 4 . 1 1 142 142 MET CA C 142 59.051 59.051 58.792 0.259 19108 3362 1 4 . 1 1 142 142 MET CB C 142 33.170 33.170 32.094 1.076 19108 3363 1 4 . 1 1 142 142 MET H H 142 8.241 8.241 8.228 0.013 19108 3364 1 4 . 1 1 143 143 LEU N N 143 118.659 118.659 120.556 -1.897 19108 3365 1 4 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.953 0.339 19108 3366 1 4 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.821 0.294 19108 3367 1 4 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.595 -0.218 19108 3368 1 4 . 1 1 143 143 LEU H H 143 7.932 7.932 8.515 -0.583 19108 3369 1 4 . 1 1 144 144 ARG N N 144 121.294 121.294 119.303 1.991 19108 3370 1 4 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.877 0.549 19108 3371 1 4 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.082 -0.093 19108 3372 1 4 . 1 1 144 144 ARG CB C 144 28.108 28.108 30.065 -1.957 19108 3373 1 4 . 1 1 144 144 ARG H H 144 7.968 7.968 7.579 0.389 19108 3374 1 4 . 1 1 145 145 ASP N N 145 122.553 122.553 119.438 3.115 19108 3375 1 4 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.453 -0.024 19108 3376 1 4 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.366 0.212 19108 3377 1 4 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.727 -1.137 19108 3378 1 4 . 1 1 145 145 ASP H H 145 8.868 8.868 7.940 0.928 19108 3379 1 4 . 1 1 146 146 ALA N N 146 120.102 120.102 121.005 -0.903 19108 3380 1 4 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.122 0.296 19108 3381 1 4 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.828 -0.794 19108 3382 1 4 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.451 -0.156 19108 3383 1 4 . 1 1 146 146 ALA H H 146 7.737 7.737 7.290 0.447 19108 3384 1 4 . 1 1 147 147 GLY N N 147 105.039 105.039 106.259 -1.220 19108 3385 1 4 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.979 -0.115 19108 3386 1 4 . 1 1 147 147 GLY H H 147 7.966 7.966 7.911 0.055 19108 3387 1 4 . 1 1 148 148 ALA N N 148 124.181 124.181 121.974 2.207 19108 3388 1 4 . 1 1 148 148 ALA HA H 148 4.689 4.689 5.058 -0.369 19108 3389 1 4 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.475 0.984 19108 3390 1 4 . 1 1 148 148 ALA CB C 148 18.479 18.479 22.097 -3.618 19108 3391 1 4 . 1 1 148 148 ALA H H 148 8.051 8.051 7.338 0.713 19108 3392 1 4 . 1 1 149 149 GLN N N 149 122.185 122.185 121.781 0.404 19108 3393 1 4 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.436 0.003 19108 3394 1 4 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.715 0.240 19108 3395 1 4 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.236 0.185 19108 3396 1 4 . 1 1 149 149 GLN H H 149 7.953 7.953 8.086 -0.133 19108 3397 1 4 . 1 1 150 150 VAL N N 150 127.399 127.399 126.703 0.696 19108 3398 1 4 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.548 0.204 19108 3399 1 4 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.380 0.059 19108 3400 1 4 . 1 1 150 150 VAL CB C 150 33.178 33.178 31.983 1.195 19108 3401 1 4 . 1 1 150 150 VAL H H 150 8.658 8.658 8.424 0.234 19108 3402 1 4 . 1 1 151 151 SER N N 151 120.616 120.616 122.376 -1.760 19108 3403 1 4 . 1 1 151 151 SER HA H 151 5.179 5.179 4.748 0.431 19108 3404 1 4 . 1 1 151 151 SER CA C 151 56.981 56.981 57.174 -0.193 19108 3405 1 4 . 1 1 151 151 SER CB C 151 66.538 66.538 66.446 0.092 19108 3406 1 4 . 1 1 151 151 SER H H 151 8.737 8.737 8.200 0.537 19108 3407 1 4 . 1 1 152 152 ILE N N 152 123.180 123.180 122.677 0.503 19108 3408 1 4 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.465 0.682 19108 3409 1 4 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.053 -3.535 19108 3410 1 4 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.271 -2.191 19108 3411 1 4 . 1 1 152 152 ILE H H 152 8.672 8.672 8.594 0.078 19108 3412 1 4 . 1 1 153 153 MET N N 153 123.477 123.477 131.496 -8.019 19108 3413 1 4 . 1 1 153 153 MET HA H 153 3.886 3.886 4.647 -0.761 19108 3414 1 4 . 1 1 153 153 MET CA C 153 59.053 59.053 56.963 2.090 19108 3415 1 4 . 1 1 153 153 MET CB C 153 34.793 34.793 33.499 1.294 19108 3416 1 4 . 1 1 153 153 MET H H 153 8.314 8.314 8.254 0.060 19108 3417 1 4 . 1 1 154 154 THR N N 154 117.621 117.621 115.560 2.061 19108 3418 1 4 . 1 1 154 154 THR HA H 154 4.951 4.951 4.749 0.202 19108 3419 1 4 . 1 1 154 154 THR CA C 154 60.436 60.436 59.654 0.782 19108 3420 1 4 . 1 1 154 154 THR CB C 154 72.370 72.370 71.472 0.898 19108 3421 1 4 . 1 1 154 154 THR H H 154 9.630 9.630 8.128 1.502 19108 3422 1 4 . 1 1 155 155 TYR N N 155 121.751 121.751 122.414 -0.663 19108 3423 1 4 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.360 -0.261 19108 3424 1 4 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.971 2.468 19108 3425 1 4 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.035 1.251 19108 3426 1 4 . 1 1 155 155 TYR H H 155 9.769 9.769 8.956 0.813 19108 3427 1 4 . 1 1 156 156 ASP N N 156 115.555 115.555 118.315 -2.760 19108 3428 1 4 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.854 0.254 19108 3429 1 4 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.568 0.692 19108 3430 1 4 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.776 0.842 19108 3431 1 4 . 1 1 156 156 ASP H H 156 8.230 8.230 8.500 -0.270 19108 3432 1 4 . 1 1 157 157 GLU N N 157 117.678 117.678 120.146 -2.468 19108 3433 1 4 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.005 -0.135 19108 3434 1 4 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.121 1.386 19108 3435 1 4 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.516 1.532 19108 3436 1 4 . 1 1 157 157 GLU H H 157 7.470 7.470 7.667 -0.197 19108 3437 1 4 . 1 1 158 158 PHE N N 158 119.869 119.869 119.519 0.350 19108 3438 1 4 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.170 -0.341 19108 3439 1 4 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.579 1.197 19108 3440 1 4 . 1 1 158 158 PHE CB C 158 39.907 39.907 39.051 0.856 19108 3441 1 4 . 1 1 158 158 PHE H H 158 8.077 8.077 7.808 0.269 19108 3442 1 4 . 1 1 159 159 LYS N N 159 118.859 118.859 119.870 -1.011 19108 3443 1 4 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.939 -0.022 19108 3444 1 4 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.987 -0.756 19108 3445 1 4 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.342 -0.379 19108 3446 1 4 . 1 1 159 159 LYS H H 159 8.273 8.273 7.638 0.635 19108 3447 1 4 . 1 1 160 160 HIS N N 160 115.889 115.889 119.133 -3.244 19108 3448 1 4 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.478 -0.319 19108 3449 1 4 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.878 1.103 19108 3450 1 4 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.715 -1.785 19108 3451 1 4 . 1 1 160 160 HIS H H 160 7.695 7.695 7.763 -0.068 19108 3452 1 4 . 1 1 161 161 CYS N N 161 118.188 118.188 118.566 -0.378 19108 3453 1 4 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.223 0.566 19108 3454 1 4 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.747 1.047 19108 3455 1 4 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.302 1.585 19108 3456 1 4 . 1 1 161 161 CYS H H 161 7.885 7.885 8.096 -0.211 19108 3457 1 4 . 1 1 162 162 TRP N N 162 122.741 122.741 122.163 0.578 19108 3458 1 4 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.372 0.392 19108 3459 1 4 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.492 0.225 19108 3460 1 4 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.218 -0.625 19108 3461 1 4 . 1 1 162 162 TRP H H 162 8.040 8.040 7.844 0.196 19108 3462 1 4 . 1 1 163 163 ASP N N 163 113.796 113.796 117.713 -3.917 19108 3463 1 4 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.269 0.857 19108 3464 1 4 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.185 1.744 19108 3465 1 4 . 1 1 163 163 ASP CB C 163 40.535 40.535 38.812 1.723 19108 3466 1 4 . 1 1 163 163 ASP H H 163 8.319 8.319 7.804 0.515 19108 3467 1 4 . 1 1 164 164 THR N N 164 112.008 112.008 113.922 -1.914 19108 3468 1 4 . 1 1 164 164 THR HA H 164 3.803 3.803 3.972 -0.169 19108 3469 1 4 . 1 1 164 164 THR CA C 164 65.164 65.164 64.338 0.826 19108 3470 1 4 . 1 1 164 164 THR CB C 164 70.171 70.171 69.225 0.945 19108 3471 1 4 . 1 1 164 164 THR H H 164 7.494 7.494 7.645 -0.151 19108 3472 1 4 . 1 1 165 165 PHE N N 165 115.079 115.079 117.737 -2.658 19108 3473 1 4 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.525 0.010 19108 3474 1 4 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.482 0.487 19108 3475 1 4 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.367 0.001 19108 3476 1 4 . 1 1 165 165 PHE H H 165 8.235 8.235 7.288 0.947 19108 3477 1 4 . 1 1 166 166 VAL N N 166 118.432 118.432 119.827 -1.395 19108 3478 1 4 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.291 -0.266 19108 3479 1 4 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.861 1.140 19108 3480 1 4 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.918 -3.563 19108 3481 1 4 . 1 1 166 166 VAL H H 166 6.838 6.838 6.869 -0.031 19108 3482 1 4 . 1 1 167 167 ASP N N 167 126.263 126.263 128.018 -1.755 19108 3483 1 4 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.525 -0.677 19108 3484 1 4 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.831 -2.201 19108 3485 1 4 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.728 -0.648 19108 3486 1 4 . 1 1 167 167 ASP H H 167 8.498 8.498 8.785 -0.287 19108 3487 1 4 . 1 1 168 168 HIS N N 168 119.890 119.890 117.073 2.817 19108 3488 1 4 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.262 0.084 19108 3489 1 4 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.176 -0.601 19108 3490 1 4 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.812 2.650 19108 3491 1 4 . 1 1 168 168 HIS H H 168 6.977 6.977 7.962 -0.985 19108 3492 1 4 . 1 1 169 169 GLN N N 169 119.254 119.254 114.131 5.123 19108 3493 1 4 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.981 -0.258 19108 3494 1 4 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.913 -0.143 19108 3495 1 4 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.451 -0.930 19108 3496 1 4 . 1 1 169 169 GLN H H 169 9.126 9.126 8.778 0.348 19108 3497 1 4 . 1 1 170 170 GLY N N 170 111.911 111.911 102.458 9.453 19108 3498 1 4 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.235 0.589 19108 3499 1 4 . 1 1 170 170 GLY H H 170 11.556 11.556 6.225 5.331 19108 3500 1 4 . 1 1 171 171 CYS N N 171 123.390 123.390 120.142 3.248 19108 3501 1 4 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.906 -0.190 19108 3502 1 4 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.908 1.877 19108 3503 1 4 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.196 -0.292 19108 3504 1 4 . 1 1 171 171 CYS H H 171 8.044 8.044 7.205 0.839 19108 3505 1 4 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.644 -0.026 19108 3506 1 4 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.326 -1.468 19108 3507 1 4 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.205 0.324 19108 3508 1 4 . 1 1 173 173 PHE N N 173 121.101 121.101 118.375 2.726 19108 3509 1 4 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.489 -1.833 19108 3510 1 4 . 1 1 173 173 PHE CA C 173 57.541 57.541 55.966 1.575 19108 3511 1 4 . 1 1 173 173 PHE CB C 173 38.746 38.746 40.324 -1.578 19108 3512 1 4 . 1 1 173 173 PHE H H 173 8.842 8.842 7.876 0.966 19108 3513 1 4 . 1 1 174 174 GLN N N 174 129.493 129.493 124.776 4.717 19108 3514 1 4 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.109 0.208 19108 3515 1 4 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.529 -1.734 19108 3516 1 4 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.059 0.038 19108 3517 1 4 . 1 1 174 174 GLN H H 174 7.250 7.250 8.068 -0.818 19108 3518 1 4 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.774 -0.860 19108 3519 1 4 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.108 0.316 19108 3520 1 4 . 1 1 176 176 TRP N N 176 118.133 118.133 121.051 -2.918 19108 3521 1 4 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.717 -0.084 19108 3522 1 4 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.012 0.150 19108 3523 1 4 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.535 -0.646 19108 3524 1 4 . 1 1 176 176 TRP H H 176 5.591 5.591 7.259 -1.668 19108 3525 1 4 . 1 1 177 177 ASP N N 177 121.814 121.814 124.971 -3.157 19108 3526 1 4 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.300 0.097 19108 3527 1 4 . 1 1 177 177 ASP CA C 177 56.172 56.172 56.064 0.108 19108 3528 1 4 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.023 0.652 19108 3529 1 4 . 1 1 177 177 ASP H H 177 8.848 8.848 8.783 0.065 19108 3530 1 4 . 1 1 178 178 GLY N N 178 111.875 111.875 112.512 -0.637 19108 3531 1 4 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.050 0.616 19108 3532 1 4 . 1 1 178 178 GLY H H 178 8.987 8.987 8.039 0.948 19108 3533 1 4 . 1 1 179 179 LEU N N 179 121.470 121.470 123.643 -2.173 19108 3534 1 4 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.062 0.426 19108 3535 1 4 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.796 1.986 19108 3536 1 4 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.025 1.204 19108 3537 1 4 . 1 1 179 179 LEU H H 179 7.148 7.148 8.008 -0.860 19108 3538 1 4 . 1 1 180 180 ASP N N 180 119.476 119.476 118.139 1.337 19108 3539 1 4 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.233 0.259 19108 3540 1 4 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.106 0.833 19108 3541 1 4 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.155 1.558 19108 3542 1 4 . 1 1 180 180 ASP H H 180 8.874 8.874 8.774 0.100 19108 3543 1 4 . 1 1 181 181 GLU N N 181 122.379 122.379 121.366 1.013 19108 3544 1 4 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.961 0.051 19108 3545 1 4 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.833 0.136 19108 3546 1 4 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.390 -0.464 19108 3547 1 4 . 1 1 181 181 GLU H H 181 8.712 8.712 8.037 0.675 19108 3548 1 4 . 1 1 182 182 HIS N N 182 118.572 118.572 118.242 0.330 19108 3549 1 4 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.317 0.437 19108 3550 1 4 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.327 -0.298 19108 3551 1 4 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.640 -0.792 19108 3552 1 4 . 1 1 182 182 HIS H H 182 8.854 8.854 8.474 0.380 19108 3553 1 4 . 1 1 183 183 SER N N 183 116.329 116.329 115.380 0.949 19108 3554 1 4 . 1 1 183 183 SER HA H 183 4.554 4.554 4.105 0.449 19108 3555 1 4 . 1 1 183 183 SER CA C 183 63.604 63.604 62.015 1.589 19108 3556 1 4 . 1 1 183 183 SER CB C 183 65.216 65.216 62.767 2.449 19108 3557 1 4 . 1 1 183 183 SER H H 183 8.665 8.665 8.893 -0.228 19108 3558 1 4 . 1 1 184 184 GLN N N 184 122.215 122.215 121.178 1.037 19108 3559 1 4 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.069 0.178 19108 3560 1 4 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.520 0.440 19108 3561 1 4 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.460 0.475 19108 3562 1 4 . 1 1 184 184 GLN H H 184 8.714 8.714 7.878 0.836 19108 3563 1 4 . 1 1 185 185 ALA N N 185 124.432 124.432 121.860 2.572 19108 3564 1 4 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.124 0.160 19108 3565 1 4 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.912 0.557 19108 3566 1 4 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.192 0.182 19108 3567 1 4 . 1 1 185 185 ALA H H 185 8.258 8.258 7.865 0.393 19108 3568 1 4 . 1 1 186 186 LEU N N 186 119.941 119.941 118.653 1.288 19108 3569 1 4 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.899 0.313 19108 3570 1 4 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.984 0.232 19108 3571 1 4 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.356 1.408 19108 3572 1 4 . 1 1 186 186 LEU H H 186 8.953 8.953 8.586 0.367 19108 3573 1 4 . 1 1 187 187 SER N N 187 116.987 116.987 114.102 2.885 19108 3574 1 4 . 1 1 187 187 SER HA H 187 4.039 4.039 4.200 -0.161 19108 3575 1 4 . 1 1 187 187 SER CA C 187 63.302 63.302 61.738 1.564 19108 3576 1 4 . 1 1 187 187 SER CB C 187 62.760 62.760 61.960 0.800 19108 3577 1 4 . 1 1 187 187 SER H H 187 8.935 8.935 8.479 0.456 19108 3578 1 4 . 1 1 188 188 GLY N N 188 110.215 110.215 110.863 -0.648 19108 3579 1 4 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.843 0.311 19108 3580 1 4 . 1 1 188 188 GLY H H 188 8.228 8.228 7.758 0.470 19108 3581 1 4 . 1 1 189 189 ARG N N 189 122.994 122.994 122.321 0.673 19108 3582 1 4 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.027 0.210 19108 3583 1 4 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.999 0.560 19108 3584 1 4 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.145 0.250 19108 3585 1 4 . 1 1 189 189 ARG H H 189 7.838 7.838 7.594 0.244 19108 3586 1 4 . 1 1 190 190 LEU N N 190 119.765 119.765 120.555 -0.790 19108 3587 1 4 . 1 1 190 190 LEU HA H 190 4.238 4.238 3.989 0.249 19108 3588 1 4 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.307 -0.088 19108 3589 1 4 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.951 -0.709 19108 3590 1 4 . 1 1 190 190 LEU H H 190 8.791 8.791 7.840 0.951 19108 3591 1 4 . 1 1 191 191 ARG N N 191 118.427 118.427 117.216 1.211 19108 3592 1 4 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.962 0.081 19108 3593 1 4 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.933 0.849 19108 3594 1 4 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.597 0.594 19108 3595 1 4 . 1 1 191 191 ARG H H 191 8.305 8.305 8.594 -0.289 19108 3596 1 4 . 1 1 192 192 ALA N N 192 119.414 119.414 122.417 -3.003 19108 3597 1 4 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.129 0.088 19108 3598 1 4 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.760 -0.044 19108 3599 1 4 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.354 -0.189 19108 3600 1 4 . 1 1 192 192 ALA H H 192 7.414 7.414 8.012 -0.598 19108 3601 1 4 . 1 1 193 193 ILE N N 193 118.949 118.949 118.969 -0.020 19108 3602 1 4 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.814 -0.044 19108 3603 1 4 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.077 0.761 19108 3604 1 4 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.973 1.473 19108 3605 1 4 . 1 1 193 193 ILE H H 193 7.896 7.896 7.633 0.263 19108 3606 1 4 . 1 1 194 194 LEU N N 194 116.435 116.435 115.435 1.000 19108 3607 1 4 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.179 0.094 19108 3608 1 4 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.722 -0.009 19108 3609 1 4 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.954 -1.483 19108 3610 1 4 . 1 1 194 194 LEU H H 194 8.296 8.296 7.449 0.847 19108 3611 1 4 . 1 1 195 195 GLN N N 195 118.580 118.580 117.908 0.672 19108 3612 1 4 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.379 -0.044 19108 3613 1 4 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.039 1.378 19108 3614 1 4 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.141 0.457 19108 3615 1 4 . 1 1 195 195 GLN H H 195 7.921 7.921 7.465 0.456 19108 3616 1 4 . 1 1 196 196 ASN N N 196 118.941 118.941 121.427 -2.486 19108 3617 1 4 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.860 -0.158 19108 3618 1 4 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.741 0.709 19108 3619 1 4 . 1 1 196 196 ASN CB C 196 38.825 38.825 40.200 -1.375 19108 3620 1 4 . 1 1 196 196 ASN H H 196 8.078 8.078 8.096 -0.018 19108 3621 1 4 . 1 1 197 197 GLN N N 197 120.984 120.984 120.632 0.352 19108 3622 1 4 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.344 0.012 19108 3623 1 4 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.831 -0.665 19108 3624 1 4 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.921 0.575 19108 3625 1 4 . 1 1 197 197 GLN H H 197 8.526 8.526 8.489 0.037 19108 3626 1 4 . 1 1 198 198 GLY N N 198 109.565 109.565 111.093 -1.528 19108 3627 1 4 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.609 0.775 19108 3628 1 4 . 1 1 198 198 GLY H H 198 8.467 8.467 8.628 -0.161 19108 3629 1 5 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.341 0.033 19108 3630 1 5 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.361 -0.013 19108 3631 1 5 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.355 0.098 19108 3632 1 5 . 1 1 3 3 ALA N N 3 125.932 125.932 128.126 -2.194 19108 3633 1 5 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.430 -0.080 19108 3634 1 5 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.404 0.003 19108 3635 1 5 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.387 0.193 19108 3636 1 5 . 1 1 3 3 ALA H H 3 8.526 8.526 8.591 -0.065 19108 3637 1 5 . 1 1 4 4 SER N N 4 116.729 116.729 113.440 3.289 19108 3638 1 5 . 1 1 4 4 SER HA H 4 4.766 4.766 4.620 0.146 19108 3639 1 5 . 1 1 4 4 SER CA C 4 56.283 56.283 57.568 -1.285 19108 3640 1 5 . 1 1 4 4 SER CB C 4 63.278 63.278 62.966 0.312 19108 3641 1 5 . 1 1 4 4 SER H H 4 8.397 8.397 8.051 0.346 19108 3642 1 5 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.437 0.009 19108 3643 1 5 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.174 0.132 19108 3644 1 5 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.301 -0.204 19108 3645 1 5 . 1 1 6 6 ALA N N 6 124.236 124.236 124.804 -0.568 19108 3646 1 5 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.454 -0.121 19108 3647 1 5 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.346 1.217 19108 3648 1 5 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.947 -1.613 19108 3649 1 5 . 1 1 6 6 ALA H H 6 8.411 8.411 8.134 0.277 19108 3650 1 5 . 1 1 7 7 SER N N 7 114.497 114.497 117.406 -2.909 19108 3651 1 5 . 1 1 7 7 SER HA H 7 4.475 4.475 4.617 -0.142 19108 3652 1 5 . 1 1 7 7 SER CA C 7 58.258 58.258 57.918 0.340 19108 3653 1 5 . 1 1 7 7 SER CB C 7 64.174 64.174 63.809 0.365 19108 3654 1 5 . 1 1 7 7 SER H H 7 8.195 8.195 8.413 -0.218 19108 3655 1 5 . 1 1 8 8 GLY N N 8 110.497 110.497 112.017 -1.520 19108 3656 1 5 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.614 0.232 19108 3657 1 5 . 1 1 8 8 GLY H H 8 8.226 8.226 8.608 -0.382 19108 3658 1 5 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.457 -0.008 19108 3659 1 5 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.287 0.147 19108 3660 1 5 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.878 0.316 19108 3661 1 5 . 1 1 10 10 ARG N N 10 120.534 120.534 121.390 -0.856 19108 3662 1 5 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.428 -0.087 19108 3663 1 5 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.857 1.159 19108 3664 1 5 . 1 1 10 10 ARG CB C 10 30.809 30.809 34.064 -3.255 19108 3665 1 5 . 1 1 10 10 ARG H H 10 8.469 8.469 8.250 0.219 19108 3666 1 5 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.612 0.213 19108 3667 1 5 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.929 -0.468 19108 3668 1 5 . 1 1 11 11 HIS CB C 11 30.191 30.191 28.667 1.524 19108 3669 1 5 . 1 1 12 12 LEU N N 12 122.284 122.284 123.945 -1.661 19108 3670 1 5 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.575 0.035 19108 3671 1 5 . 1 1 12 12 LEU CB C 12 45.030 45.030 44.441 0.589 19108 3672 1 5 . 1 1 12 12 LEU H H 12 8.250 8.250 7.893 0.357 19108 3673 1 5 . 1 1 13 13 MET N N 13 121.493 121.493 118.574 2.919 19108 3674 1 5 . 1 1 13 13 MET HA H 13 4.038 4.038 4.273 -0.235 19108 3675 1 5 . 1 1 13 13 MET CA C 13 54.449 54.449 55.840 -1.391 19108 3676 1 5 . 1 1 13 13 MET CB C 13 35.015 35.015 33.234 1.781 19108 3677 1 5 . 1 1 13 13 MET H H 13 8.955 8.955 7.836 1.119 19108 3678 1 5 . 1 1 14 14 ASP N N 14 127.113 127.113 121.167 5.946 19108 3679 1 5 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.437 -1.337 19108 3680 1 5 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.716 -0.260 19108 3681 1 5 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.384 1.126 19108 3682 1 5 . 1 1 14 14 ASP H H 14 8.514 8.514 8.455 0.059 19108 3683 1 5 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.116 -0.263 19108 3684 1 5 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.647 0.007 19108 3685 1 5 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.047 -0.396 19108 3686 1 5 . 1 1 16 16 HIS N N 16 115.776 115.776 116.917 -1.141 19108 3687 1 5 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.335 -0.057 19108 3688 1 5 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.746 -0.828 19108 3689 1 5 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.277 -0.069 19108 3690 1 5 . 1 1 16 16 HIS H H 16 8.591 8.591 8.635 -0.044 19108 3691 1 5 . 1 1 17 17 ILE N N 17 122.675 122.675 117.929 4.746 19108 3692 1 5 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.297 0.187 19108 3693 1 5 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.832 -1.606 19108 3694 1 5 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.753 -0.656 19108 3695 1 5 . 1 1 17 17 ILE H H 17 7.558 7.558 7.531 0.027 19108 3696 1 5 . 1 1 18 18 PHE N N 18 120.513 120.513 120.830 -0.317 19108 3697 1 5 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.319 -0.316 19108 3698 1 5 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.959 0.845 19108 3699 1 5 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.742 -0.103 19108 3700 1 5 . 1 1 18 18 PHE H H 18 7.831 7.831 7.714 0.117 19108 3701 1 5 . 1 1 19 19 THR N N 19 114.555 114.555 115.466 -0.911 19108 3702 1 5 . 1 1 19 19 THR HA H 19 3.657 3.657 4.091 -0.434 19108 3703 1 5 . 1 1 19 19 THR CA C 19 66.485 66.485 66.322 0.163 19108 3704 1 5 . 1 1 19 19 THR CB C 19 68.345 68.345 68.767 -0.422 19108 3705 1 5 . 1 1 19 19 THR H H 19 9.036 9.036 9.027 0.009 19108 3706 1 5 . 1 1 20 20 SER N N 20 113.030 113.030 117.187 -4.157 19108 3707 1 5 . 1 1 20 20 SER HA H 20 4.062 4.062 4.246 -0.184 19108 3708 1 5 . 1 1 20 20 SER CA C 20 60.610 60.610 60.844 -0.234 19108 3709 1 5 . 1 1 20 20 SER CB C 20 63.843 63.843 63.316 0.527 19108 3710 1 5 . 1 1 20 20 SER H H 20 7.809 7.809 8.338 -0.529 19108 3711 1 5 . 1 1 21 21 ASN N N 21 115.629 115.629 122.048 -6.419 19108 3712 1 5 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.224 0.187 19108 3713 1 5 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.337 1.652 19108 3714 1 5 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.970 3.610 19108 3715 1 5 . 1 1 21 21 ASN H H 21 7.362 7.362 7.652 -0.290 19108 3716 1 5 . 1 1 22 22 PHE N N 22 117.773 117.773 116.721 1.052 19108 3717 1 5 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.484 -0.211 19108 3718 1 5 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.331 -0.871 19108 3719 1 5 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.069 -0.239 19108 3720 1 5 . 1 1 22 22 PHE H H 22 8.296 8.296 8.424 -0.128 19108 3721 1 5 . 1 1 23 23 ASN N N 23 115.026 115.026 121.839 -6.813 19108 3722 1 5 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.354 0.175 19108 3723 1 5 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.461 0.181 19108 3724 1 5 . 1 1 23 23 ASN CB C 23 36.623 36.623 36.630 -0.007 19108 3725 1 5 . 1 1 23 23 ASN H H 23 6.097 6.097 7.910 -1.813 19108 3726 1 5 . 1 1 24 24 ASN N N 24 122.900 122.900 118.439 4.461 19108 3727 1 5 . 1 1 24 24 ASN HA H 24 4.433 4.433 3.818 0.615 19108 3728 1 5 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.060 -0.788 19108 3729 1 5 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.307 0.585 19108 3730 1 5 . 1 1 24 24 ASN H H 24 7.083 7.083 7.859 -0.776 19108 3731 1 5 . 1 1 25 25 GLY N N 25 105.587 105.587 107.660 -2.073 19108 3732 1 5 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.867 -0.002 19108 3733 1 5 . 1 1 25 25 GLY H H 25 8.520 8.520 8.242 0.278 19108 3734 1 5 . 1 1 26 26 ILE N N 26 120.182 120.182 119.954 0.228 19108 3735 1 5 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.261 -0.087 19108 3736 1 5 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.482 0.961 19108 3737 1 5 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.788 -0.273 19108 3738 1 5 . 1 1 26 26 ILE H H 26 6.944 6.944 8.042 -1.098 19108 3739 1 5 . 1 1 27 27 GLY N N 27 111.665 111.665 107.642 4.023 19108 3740 1 5 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.813 0.506 19108 3741 1 5 . 1 1 27 27 GLY H H 27 8.457 8.457 8.236 0.221 19108 3742 1 5 . 1 1 28 28 ARG N N 28 117.565 117.565 119.347 -1.782 19108 3743 1 5 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.093 -0.528 19108 3744 1 5 . 1 1 28 28 ARG H H 28 6.741 6.741 8.113 -1.372 19108 3745 1 5 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.729 1.274 19108 3746 1 5 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.814 1.230 19108 3747 1 5 . 1 1 29 29 HIS H H 29 8.636 8.636 9.163 -0.527 19108 3748 1 5 . 1 1 30 30 LYS N N 30 119.344 119.344 119.183 0.161 19108 3749 1 5 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.378 0.043 19108 3750 1 5 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.493 1.371 19108 3751 1 5 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.236 1.955 19108 3752 1 5 . 1 1 30 30 LYS H H 30 7.870 7.870 7.805 0.065 19108 3753 1 5 . 1 1 31 31 THR N N 31 118.233 118.233 112.778 5.455 19108 3754 1 5 . 1 1 31 31 THR HA H 31 4.125 4.125 3.700 0.425 19108 3755 1 5 . 1 1 31 31 THR CA C 31 63.175 63.175 63.230 -0.055 19108 3756 1 5 . 1 1 31 31 THR H H 31 8.436 8.436 7.171 1.265 19108 3757 1 5 . 1 1 32 32 TYR N N 32 124.026 124.026 121.413 2.613 19108 3758 1 5 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.886 0.050 19108 3759 1 5 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.562 -0.061 19108 3760 1 5 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.816 1.587 19108 3761 1 5 . 1 1 32 32 TYR H H 32 8.244 8.244 8.770 -0.526 19108 3762 1 5 . 1 1 33 33 LEU N N 33 125.428 125.428 124.574 0.854 19108 3763 1 5 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.279 -0.200 19108 3764 1 5 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.474 1.364 19108 3765 1 5 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.397 1.587 19108 3766 1 5 . 1 1 33 33 LEU H H 33 9.232 9.232 8.773 0.459 19108 3767 1 5 . 1 1 34 34 CYS N N 34 125.975 125.975 126.351 -0.376 19108 3768 1 5 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.058 -0.052 19108 3769 1 5 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.074 2.071 19108 3770 1 5 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.305 0.997 19108 3771 1 5 . 1 1 34 34 CYS H H 34 9.640 9.640 9.096 0.544 19108 3772 1 5 . 1 1 35 35 TYR N N 35 121.183 121.183 120.179 1.004 19108 3773 1 5 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.809 0.679 19108 3774 1 5 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.141 -0.359 19108 3775 1 5 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.099 1.991 19108 3776 1 5 . 1 1 35 35 TYR H H 35 9.094 9.094 8.844 0.250 19108 3777 1 5 . 1 1 36 36 GLU N N 36 115.538 115.538 122.723 -7.185 19108 3778 1 5 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.858 0.577 19108 3779 1 5 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.788 0.603 19108 3780 1 5 . 1 1 36 36 GLU CB C 36 34.544 34.544 33.916 0.628 19108 3781 1 5 . 1 1 36 36 GLU H H 36 8.977 8.977 8.739 0.238 19108 3782 1 5 . 1 1 37 37 VAL N N 37 121.600 121.600 122.464 -0.864 19108 3783 1 5 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.412 0.747 19108 3784 1 5 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.883 1.165 19108 3785 1 5 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.542 0.528 19108 3786 1 5 . 1 1 37 37 VAL H H 37 9.271 9.271 8.393 0.878 19108 3787 1 5 . 1 1 38 38 GLU N N 38 125.227 125.227 127.677 -2.450 19108 3788 1 5 . 1 1 38 38 GLU HA H 38 5.218 5.218 4.856 0.362 19108 3789 1 5 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.843 -0.591 19108 3790 1 5 . 1 1 38 38 GLU CB C 38 34.927 34.927 32.800 2.127 19108 3791 1 5 . 1 1 38 38 GLU H H 38 9.114 9.114 8.387 0.727 19108 3792 1 5 . 1 1 39 39 ARG N N 39 124.872 124.872 125.079 -0.207 19108 3793 1 5 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.480 0.885 19108 3794 1 5 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.670 0.577 19108 3795 1 5 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.802 0.763 19108 3796 1 5 . 1 1 39 39 ARG H H 39 9.215 9.215 8.244 0.971 19108 3797 1 5 . 1 1 40 40 LEU N N 40 126.510 126.510 123.813 2.697 19108 3798 1 5 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.685 0.068 19108 3799 1 5 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.951 0.372 19108 3800 1 5 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.040 -1.197 19108 3801 1 5 . 1 1 40 40 LEU H H 40 8.659 8.659 7.929 0.730 19108 3802 1 5 . 1 1 41 41 ASP N N 41 124.410 124.410 124.731 -0.321 19108 3803 1 5 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.629 0.164 19108 3804 1 5 . 1 1 41 41 ASP CA C 41 53.218 53.218 52.598 0.620 19108 3805 1 5 . 1 1 41 41 ASP CB C 41 41.733 41.733 41.137 0.596 19108 3806 1 5 . 1 1 41 41 ASP H H 41 8.575 8.575 8.925 -0.350 19108 3807 1 5 . 1 1 42 42 ASN N N 42 123.319 123.319 124.393 -1.074 19108 3808 1 5 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.314 0.106 19108 3809 1 5 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.773 0.400 19108 3810 1 5 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.642 0.205 19108 3811 1 5 . 1 1 42 42 ASN H H 42 9.048 9.048 8.740 0.308 19108 3812 1 5 . 1 1 43 43 GLY N N 43 106.044 106.044 102.920 3.124 19108 3813 1 5 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.859 -0.465 19108 3814 1 5 . 1 1 43 43 GLY H H 43 8.548 8.548 8.800 -0.252 19108 3815 1 5 . 1 1 44 44 THR N N 44 115.893 115.893 118.643 -2.750 19108 3816 1 5 . 1 1 44 44 THR HA H 44 4.524 4.524 4.370 0.154 19108 3817 1 5 . 1 1 44 44 THR CA C 44 61.285 61.285 61.931 -0.646 19108 3818 1 5 . 1 1 44 44 THR CB C 44 70.572 70.572 68.733 1.839 19108 3819 1 5 . 1 1 44 44 THR H H 44 7.833 7.833 7.688 0.145 19108 3820 1 5 . 1 1 45 45 SER N N 45 119.589 119.589 123.370 -3.781 19108 3821 1 5 . 1 1 45 45 SER HA H 45 4.804 4.804 4.643 0.161 19108 3822 1 5 . 1 1 45 45 SER CA C 45 58.080 58.080 58.288 -0.208 19108 3823 1 5 . 1 1 45 45 SER CB C 45 64.265 64.265 63.080 1.185 19108 3824 1 5 . 1 1 45 45 SER H H 45 8.590 8.590 8.732 -0.142 19108 3825 1 5 . 1 1 46 46 VAL N N 46 125.827 125.827 128.656 -2.829 19108 3826 1 5 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.166 0.127 19108 3827 1 5 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.417 0.426 19108 3828 1 5 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.817 0.700 19108 3829 1 5 . 1 1 46 46 VAL H H 46 9.034 9.034 9.042 -0.008 19108 3830 1 5 . 1 1 47 47 LYS N N 47 126.528 126.528 126.735 -0.207 19108 3831 1 5 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.405 -0.120 19108 3832 1 5 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.619 2.046 19108 3833 1 5 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.316 -0.524 19108 3834 1 5 . 1 1 47 47 LYS H H 47 8.738 8.738 8.232 0.506 19108 3835 1 5 . 1 1 48 48 MET N N 48 122.645 122.645 124.204 -1.559 19108 3836 1 5 . 1 1 48 48 MET HA H 48 5.195 5.195 4.641 0.554 19108 3837 1 5 . 1 1 48 48 MET CA C 48 54.747 54.747 55.665 -0.918 19108 3838 1 5 . 1 1 48 48 MET CB C 48 32.379 32.379 34.151 -1.772 19108 3839 1 5 . 1 1 48 48 MET H H 48 8.334 8.334 8.059 0.275 19108 3840 1 5 . 1 1 49 49 ASP N N 49 123.713 123.713 121.574 2.139 19108 3841 1 5 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.601 -0.177 19108 3842 1 5 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.244 0.366 19108 3843 1 5 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.084 -0.050 19108 3844 1 5 . 1 1 49 49 ASP H H 49 8.575 8.575 8.731 -0.156 19108 3845 1 5 . 1 1 50 50 GLN N N 50 117.540 117.540 119.160 -1.620 19108 3846 1 5 . 1 1 50 50 GLN H H 50 9.110 9.110 8.584 0.526 19108 3847 1 5 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.794 0.357 19108 3848 1 5 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.733 -1.899 19108 3849 1 5 . 1 1 51 51 HIS H H 51 8.031 8.031 8.544 -0.513 19108 3850 1 5 . 1 1 52 52 ARG N N 52 117.888 117.888 119.266 -1.378 19108 3851 1 5 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.607 0.630 19108 3852 1 5 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.786 0.269 19108 3853 1 5 . 1 1 52 52 ARG CB C 52 33.054 33.054 33.052 0.002 19108 3854 1 5 . 1 1 52 52 ARG H H 52 7.685 7.685 7.875 -0.190 19108 3855 1 5 . 1 1 53 53 GLY N N 53 108.573 108.573 105.540 3.033 19108 3856 1 5 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.377 0.331 19108 3857 1 5 . 1 1 53 53 GLY H H 53 7.529 7.529 7.306 0.223 19108 3858 1 5 . 1 1 54 54 PHE N N 54 113.146 113.146 115.586 -2.440 19108 3859 1 5 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.703 0.292 19108 3860 1 5 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.840 0.016 19108 3861 1 5 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.461 2.902 19108 3862 1 5 . 1 1 54 54 PHE H H 54 8.287 8.287 7.924 0.363 19108 3863 1 5 . 1 1 55 55 LEU N N 55 119.389 119.389 121.881 -2.492 19108 3864 1 5 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.763 -0.068 19108 3865 1 5 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.269 0.443 19108 3866 1 5 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.417 0.211 19108 3867 1 5 . 1 1 55 55 LEU H H 55 9.452 9.452 8.718 0.734 19108 3868 1 5 . 1 1 56 56 HIS N N 56 114.176 114.176 115.416 -1.240 19108 3869 1 5 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.938 0.501 19108 3870 1 5 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.831 0.633 19108 3871 1 5 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.370 0.097 19108 3872 1 5 . 1 1 56 56 HIS H H 56 7.709 7.709 7.695 0.014 19108 3873 1 5 . 1 1 57 57 ASN N N 57 116.522 116.522 119.870 -3.348 19108 3874 1 5 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.314 0.101 19108 3875 1 5 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.876 0.308 19108 3876 1 5 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.733 -1.071 19108 3877 1 5 . 1 1 57 57 ASN H H 57 8.684 8.684 8.123 0.561 19108 3878 1 5 . 1 1 58 58 GLN N N 58 122.850 122.850 120.716 2.134 19108 3879 1 5 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.468 -0.079 19108 3880 1 5 . 1 1 58 58 GLN CA C 58 54.853 54.853 54.601 0.252 19108 3881 1 5 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.390 0.992 19108 3882 1 5 . 1 1 58 58 GLN H H 58 9.099 9.099 8.095 1.004 19108 3883 1 5 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.064 0.235 19108 3884 1 5 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.415 0.089 19108 3885 1 5 . 1 1 59 59 ALA CB C 59 19.421 19.421 18.002 1.419 19108 3886 1 5 . 1 1 60 60 LYS N N 60 119.998 119.998 123.117 -3.119 19108 3887 1 5 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.224 -0.448 19108 3888 1 5 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.399 -0.098 19108 3889 1 5 . 1 1 60 60 LYS CB C 60 32.816 32.816 35.041 -2.225 19108 3890 1 5 . 1 1 60 60 LYS H H 60 8.344 8.344 7.659 0.685 19108 3891 1 5 . 1 1 61 61 ASN N N 61 119.688 119.688 123.592 -3.904 19108 3892 1 5 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.779 -0.324 19108 3893 1 5 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.179 0.724 19108 3894 1 5 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.562 -0.025 19108 3895 1 5 . 1 1 61 61 ASN H H 61 8.643 8.643 8.735 -0.092 19108 3896 1 5 . 1 1 62 62 LEU N N 62 124.761 124.761 127.338 -2.577 19108 3897 1 5 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.028 -0.094 19108 3898 1 5 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.660 -0.415 19108 3899 1 5 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.460 -0.517 19108 3900 1 5 . 1 1 62 62 LEU H H 62 8.873 8.873 8.766 0.107 19108 3901 1 5 . 1 1 63 63 LEU N N 63 120.312 120.312 119.552 0.760 19108 3902 1 5 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.273 -0.074 19108 3903 1 5 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.420 -0.343 19108 3904 1 5 . 1 1 63 63 LEU CB C 63 41.257 41.257 42.226 -0.969 19108 3905 1 5 . 1 1 63 63 LEU H H 63 8.145 8.145 7.780 0.365 19108 3906 1 5 . 1 1 64 64 CYS N N 64 113.898 113.898 114.116 -0.218 19108 3907 1 5 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.756 -0.585 19108 3908 1 5 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.879 -1.095 19108 3909 1 5 . 1 1 64 64 CYS CB C 64 28.718 28.718 31.581 -2.862 19108 3910 1 5 . 1 1 64 64 CYS H H 64 7.376 7.376 7.754 -0.378 19108 3911 1 5 . 1 1 65 65 GLY N N 65 108.894 108.894 111.042 -2.148 19108 3912 1 5 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.728 0.255 19108 3913 1 5 . 1 1 65 65 GLY H H 65 7.789 7.789 8.601 -0.812 19108 3914 1 5 . 1 1 66 66 PHE N N 66 118.711 118.711 118.342 0.369 19108 3915 1 5 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.529 -0.612 19108 3916 1 5 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.434 -2.494 19108 3917 1 5 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.410 -0.142 19108 3918 1 5 . 1 1 66 66 PHE H H 66 7.699 7.699 7.910 -0.211 19108 3919 1 5 . 1 1 67 67 TYR N N 67 124.623 124.623 121.166 3.457 19108 3920 1 5 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.347 -0.047 19108 3921 1 5 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.559 -0.795 19108 3922 1 5 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.583 -1.430 19108 3923 1 5 . 1 1 67 67 TYR H H 67 8.568 8.568 8.142 0.426 19108 3924 1 5 . 1 1 69 69 ARG N N 69 121.427 121.427 120.688 0.739 19108 3925 1 5 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.634 2.423 19108 3926 1 5 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.983 -0.687 19108 3927 1 5 . 1 1 69 69 ARG H H 69 8.313 8.313 8.276 0.037 19108 3928 1 5 . 1 1 70 70 HIS N N 70 128.351 128.351 120.671 7.680 19108 3929 1 5 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.743 0.039 19108 3930 1 5 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.062 1.654 19108 3931 1 5 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.090 1.686 19108 3932 1 5 . 1 1 70 70 HIS H H 70 9.182 9.182 7.942 1.240 19108 3933 1 5 . 1 1 71 71 ALA N N 71 125.649 125.649 124.476 1.173 19108 3934 1 5 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.843 -0.486 19108 3935 1 5 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.267 0.515 19108 3936 1 5 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.571 -0.561 19108 3937 1 5 . 1 1 71 71 ALA H H 71 8.968 8.968 9.058 -0.090 19108 3938 1 5 . 1 1 72 72 GLU N N 72 119.941 119.941 118.288 1.653 19108 3939 1 5 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.786 -0.809 19108 3940 1 5 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.571 1.385 19108 3941 1 5 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.024 -1.018 19108 3942 1 5 . 1 1 72 72 GLU H H 72 12.692 12.692 8.581 4.111 19108 3943 1 5 . 1 1 73 73 LEU N N 73 114.882 114.882 119.477 -4.595 19108 3944 1 5 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.917 -0.332 19108 3945 1 5 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.856 -1.195 19108 3946 1 5 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.493 -2.248 19108 3947 1 5 . 1 1 73 73 LEU H H 73 6.637 6.637 7.587 -0.950 19108 3948 1 5 . 1 1 74 74 ARG N N 74 117.799 117.799 118.673 -0.874 19108 3949 1 5 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.310 -0.268 19108 3950 1 5 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.960 -0.785 19108 3951 1 5 . 1 1 74 74 ARG H H 74 7.556 7.556 7.389 0.167 19108 3952 1 5 . 1 1 75 75 PHE N N 75 119.783 119.783 119.953 -0.170 19108 3953 1 5 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.031 -0.470 19108 3954 1 5 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.304 1.370 19108 3955 1 5 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.801 -0.763 19108 3956 1 5 . 1 1 75 75 PHE H H 75 8.233 8.233 8.312 -0.079 19108 3957 1 5 . 1 1 76 76 LEU N N 76 119.526 119.526 119.209 0.317 19108 3958 1 5 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.420 0.138 19108 3959 1 5 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.166 0.873 19108 3960 1 5 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.833 -2.817 19108 3961 1 5 . 1 1 76 76 LEU H H 76 7.629 7.629 7.562 0.067 19108 3962 1 5 . 1 1 77 77 ASP N N 77 118.215 118.215 118.939 -0.724 19108 3963 1 5 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.408 -0.250 19108 3964 1 5 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.887 -0.487 19108 3965 1 5 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.233 -0.865 19108 3966 1 5 . 1 1 77 77 ASP H H 77 8.190 8.190 7.675 0.515 19108 3967 1 5 . 1 1 78 78 LEU N N 78 117.496 117.496 114.860 2.636 19108 3968 1 5 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.538 -0.248 19108 3969 1 5 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.656 -0.671 19108 3970 1 5 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.789 0.612 19108 3971 1 5 . 1 1 78 78 LEU H H 78 7.252 7.252 7.375 -0.123 19108 3972 1 5 . 1 1 79 79 VAL N N 79 120.915 120.915 122.608 -1.693 19108 3973 1 5 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.443 -0.220 19108 3974 1 5 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.676 0.852 19108 3975 1 5 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.195 -0.075 19108 3976 1 5 . 1 1 79 79 VAL H H 79 7.179 7.179 7.279 -0.100 19108 3977 1 5 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.449 -0.474 19108 3978 1 5 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.368 1.419 19108 3979 1 5 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.763 -0.955 19108 3980 1 5 . 1 1 81 81 SER N N 81 112.727 112.727 115.081 -2.354 19108 3981 1 5 . 1 1 81 81 SER HA H 81 4.314 4.314 4.230 0.084 19108 3982 1 5 . 1 1 81 81 SER CA C 81 60.618 60.618 60.934 -0.316 19108 3983 1 5 . 1 1 81 81 SER CB C 81 63.450 63.450 62.722 0.728 19108 3984 1 5 . 1 1 81 81 SER H H 81 7.828 7.828 7.565 0.263 19108 3985 1 5 . 1 1 82 82 LEU N N 82 120.918 120.918 121.400 -0.482 19108 3986 1 5 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.352 -0.478 19108 3987 1 5 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.765 -0.273 19108 3988 1 5 . 1 1 82 82 LEU CB C 82 40.211 40.211 41.973 -1.762 19108 3989 1 5 . 1 1 82 82 LEU H H 82 7.912 7.912 7.544 0.368 19108 3990 1 5 . 1 1 83 83 GLN N N 83 111.397 111.397 115.572 -4.175 19108 3991 1 5 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.964 -0.156 19108 3992 1 5 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.039 0.127 19108 3993 1 5 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.724 -0.056 19108 3994 1 5 . 1 1 83 83 GLN H H 83 7.458 7.458 7.680 -0.222 19108 3995 1 5 . 1 1 84 84 LEU N N 84 118.520 118.520 119.977 -1.457 19108 3996 1 5 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.241 -0.522 19108 3997 1 5 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.940 -1.198 19108 3998 1 5 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.485 -3.240 19108 3999 1 5 . 1 1 84 84 LEU H H 84 8.736 8.736 8.088 0.648 19108 4000 1 5 . 1 1 85 85 ASP N N 85 126.187 126.187 121.059 5.128 19108 4001 1 5 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.884 -0.001 19108 4002 1 5 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.184 0.162 19108 4003 1 5 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.469 1.479 19108 4004 1 5 . 1 1 85 85 ASP H H 85 8.415 8.415 8.161 0.254 19108 4005 1 5 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.836 0.092 19108 4006 1 5 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.282 0.356 19108 4007 1 5 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.833 -0.547 19108 4008 1 5 . 1 1 87 87 ALA N N 87 121.030 121.030 122.458 -1.428 19108 4009 1 5 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.100 0.318 19108 4010 1 5 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.120 -1.948 19108 4011 1 5 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.742 0.606 19108 4012 1 5 . 1 1 87 87 ALA H H 87 8.504 8.504 7.889 0.615 19108 4013 1 5 . 1 1 88 88 GLN N N 88 119.601 119.601 115.431 4.170 19108 4014 1 5 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.541 -0.019 19108 4015 1 5 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.521 -1.087 19108 4016 1 5 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.326 -1.277 19108 4017 1 5 . 1 1 88 88 GLN H H 88 8.125 8.125 8.198 -0.073 19108 4018 1 5 . 1 1 89 89 ILE N N 89 118.195 118.195 118.483 -0.288 19108 4019 1 5 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.374 0.595 19108 4020 1 5 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.517 0.024 19108 4021 1 5 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.067 1.185 19108 4022 1 5 . 1 1 89 89 ILE H H 89 8.099 8.099 8.597 -0.498 19108 4023 1 5 . 1 1 90 90 TYR N N 90 122.421 122.421 123.885 -1.464 19108 4024 1 5 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.897 0.464 19108 4025 1 5 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.172 -1.132 19108 4026 1 5 . 1 1 90 90 TYR CB C 90 42.826 42.826 42.711 0.115 19108 4027 1 5 . 1 1 90 90 TYR H H 90 8.892 8.892 8.314 0.578 19108 4028 1 5 . 1 1 91 91 ARG N N 91 121.043 121.043 123.095 -2.052 19108 4029 1 5 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.235 0.008 19108 4030 1 5 . 1 1 91 91 ARG CA C 91 54.535 54.535 54.728 -0.193 19108 4031 1 5 . 1 1 91 91 ARG CB C 91 33.132 33.132 32.986 0.146 19108 4032 1 5 . 1 1 91 91 ARG H H 91 9.327 9.327 8.982 0.345 19108 4033 1 5 . 1 1 92 92 VAL N N 92 132.287 132.287 128.169 4.118 19108 4034 1 5 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.977 -0.053 19108 4035 1 5 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.540 -0.635 19108 4036 1 5 . 1 1 92 92 VAL CB C 92 32.853 32.853 34.111 -1.258 19108 4037 1 5 . 1 1 92 92 VAL H H 92 9.668 9.668 8.557 1.111 19108 4038 1 5 . 1 1 93 93 THR N N 93 124.468 124.468 124.953 -0.485 19108 4039 1 5 . 1 1 93 93 THR HA H 93 5.264 5.264 4.767 0.497 19108 4040 1 5 . 1 1 93 93 THR CA C 93 61.616 61.616 61.984 -0.368 19108 4041 1 5 . 1 1 93 93 THR CB C 93 70.082 70.082 69.549 0.533 19108 4042 1 5 . 1 1 93 93 THR H H 93 9.381 9.381 9.129 0.252 19108 4043 1 5 . 1 1 94 94 TRP N N 94 124.491 124.491 127.819 -3.328 19108 4044 1 5 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.232 0.434 19108 4045 1 5 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.804 -2.599 19108 4046 1 5 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.920 2.748 19108 4047 1 5 . 1 1 94 94 TRP H H 94 9.071 9.071 9.286 -0.215 19108 4048 1 5 . 1 1 95 95 PHE N N 95 122.179 122.179 122.766 -0.587 19108 4049 1 5 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.011 0.659 19108 4050 1 5 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.398 -0.624 19108 4051 1 5 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.685 -1.236 19108 4052 1 5 . 1 1 95 95 PHE H H 95 9.578 9.578 9.212 0.366 19108 4053 1 5 . 1 1 96 96 ILE N N 96 125.072 125.072 121.641 3.431 19108 4054 1 5 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.236 0.737 19108 4055 1 5 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.709 -1.282 19108 4056 1 5 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.709 4.364 19108 4057 1 5 . 1 1 96 96 ILE H H 96 9.816 9.816 8.595 1.221 19108 4058 1 5 . 1 1 97 97 SER N N 97 124.020 124.020 117.980 6.040 19108 4059 1 5 . 1 1 97 97 SER HA H 97 3.623 3.623 4.880 -1.257 19108 4060 1 5 . 1 1 97 97 SER CA C 97 61.750 61.750 59.704 2.046 19108 4061 1 5 . 1 1 97 97 SER CB C 97 63.711 63.711 64.222 -0.511 19108 4062 1 5 . 1 1 97 97 SER H H 97 9.156 9.156 8.485 0.671 19108 4063 1 5 . 1 1 98 98 TRP N N 98 114.829 114.829 121.715 -6.886 19108 4064 1 5 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.163 0.176 19108 4065 1 5 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.125 -2.454 19108 4066 1 5 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.354 3.397 19108 4067 1 5 . 1 1 98 98 TRP H H 98 6.619 6.619 7.948 -1.329 19108 4068 1 5 . 1 1 99 99 SER N N 99 115.444 115.444 119.233 -3.789 19108 4069 1 5 . 1 1 99 99 SER CA C 99 58.045 58.045 57.780 0.265 19108 4070 1 5 . 1 1 99 99 SER CB C 99 61.927 61.927 63.893 -1.966 19108 4071 1 5 . 1 1 99 99 SER H H 99 8.590 8.590 8.328 0.262 19108 4072 1 5 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.799 -1.874 19108 4073 1 5 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.170 2.626 19108 4074 1 5 . 1 1 101 101 CYS N N 101 121.768 121.768 115.845 5.923 19108 4075 1 5 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.876 -0.216 19108 4076 1 5 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.801 0.388 19108 4077 1 5 . 1 1 101 101 CYS H H 101 8.686 8.686 8.190 0.496 19108 4078 1 5 . 1 1 102 102 PHE N N 102 115.031 115.031 122.964 -7.933 19108 4079 1 5 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.075 1.885 19108 4080 1 5 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.783 -2.626 19108 4081 1 5 . 1 1 102 102 PHE H H 102 9.318 9.318 8.014 1.304 19108 4082 1 5 . 1 1 103 103 SER N N 103 119.552 119.552 123.956 -4.404 19108 4083 1 5 . 1 1 103 103 SER HA H 103 3.713 3.713 4.129 -0.416 19108 4084 1 5 . 1 1 103 103 SER CA C 103 63.368 63.368 62.189 1.179 19108 4085 1 5 . 1 1 103 103 SER CB C 103 60.539 60.539 63.027 -2.488 19108 4086 1 5 . 1 1 103 103 SER H H 103 10.858 10.858 8.664 2.194 19108 4087 1 5 . 1 1 104 104 TRP N N 104 117.909 117.909 122.422 -4.513 19108 4088 1 5 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.892 -1.116 19108 4089 1 5 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.185 1.029 19108 4090 1 5 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.812 -1.926 19108 4091 1 5 . 1 1 104 104 TRP H H 104 7.880 7.880 8.302 -0.422 19108 4092 1 5 . 1 1 105 105 GLY N N 105 106.359 106.359 108.302 -1.943 19108 4093 1 5 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.171 -1.090 19108 4094 1 5 . 1 1 105 105 GLY H H 105 7.468 7.468 9.008 -1.540 19108 4095 1 5 . 1 1 106 106 CYS N N 106 120.359 120.359 121.625 -1.266 19108 4096 1 5 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.511 -0.652 19108 4097 1 5 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.840 5.262 19108 4098 1 5 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.040 2.678 19108 4099 1 5 . 1 1 106 106 CYS H H 106 7.366 7.366 8.471 -1.105 19108 4100 1 5 . 1 1 107 107 ALA N N 107 119.725 119.725 123.516 -3.791 19108 4101 1 5 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.044 -0.179 19108 4102 1 5 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.093 1.841 19108 4103 1 5 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.061 0.382 19108 4104 1 5 . 1 1 107 107 ALA H H 107 8.719 8.719 8.403 0.316 19108 4105 1 5 . 1 1 108 108 GLY N N 108 103.829 103.829 107.489 -3.660 19108 4106 1 5 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.370 -0.475 19108 4107 1 5 . 1 1 108 108 GLY H H 108 8.555 8.555 8.085 0.470 19108 4108 1 5 . 1 1 109 109 GLU N N 109 123.162 123.162 122.216 0.946 19108 4109 1 5 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.138 0.128 19108 4110 1 5 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.270 0.022 19108 4111 1 5 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.619 0.763 19108 4112 1 5 . 1 1 109 109 GLU H H 109 8.023 8.023 7.817 0.206 19108 4113 1 5 . 1 1 110 110 VAL N N 110 121.866 121.866 119.037 2.829 19108 4114 1 5 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.673 0.026 19108 4115 1 5 . 1 1 110 110 VAL CA C 110 67.043 67.043 67.201 -0.158 19108 4116 1 5 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.681 -0.675 19108 4117 1 5 . 1 1 110 110 VAL H H 110 8.942 8.942 7.971 0.971 19108 4118 1 5 . 1 1 111 111 ARG N N 111 120.587 120.587 120.851 -0.264 19108 4119 1 5 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.889 -0.103 19108 4120 1 5 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.907 0.174 19108 4121 1 5 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.097 -0.922 19108 4122 1 5 . 1 1 111 111 ARG H H 111 8.653 8.653 8.446 0.207 19108 4123 1 5 . 1 1 112 112 ALA N N 112 120.687 120.687 121.732 -1.045 19108 4124 1 5 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.023 0.111 19108 4125 1 5 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.115 0.303 19108 4126 1 5 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.059 -0.068 19108 4127 1 5 . 1 1 112 112 ALA H H 112 7.875 7.875 7.975 -0.100 19108 4128 1 5 . 1 1 113 113 PHE N N 113 118.950 118.950 119.570 -0.620 19108 4129 1 5 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.136 0.201 19108 4130 1 5 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.967 -0.591 19108 4131 1 5 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.257 0.130 19108 4132 1 5 . 1 1 113 113 PHE H H 113 8.139 8.139 7.767 0.372 19108 4133 1 5 . 1 1 114 114 LEU N N 114 120.595 120.595 120.770 -0.175 19108 4134 1 5 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.800 -0.000 19108 4135 1 5 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.949 -0.816 19108 4136 1 5 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.199 -1.290 19108 4137 1 5 . 1 1 114 114 LEU H H 114 8.639 8.639 8.211 0.428 19108 4138 1 5 . 1 1 115 115 GLN N N 115 117.666 117.666 114.939 2.727 19108 4139 1 5 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.918 0.105 19108 4140 1 5 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.568 -0.182 19108 4141 1 5 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.575 -0.037 19108 4142 1 5 . 1 1 115 115 GLN H H 115 8.167 8.167 8.503 -0.336 19108 4143 1 5 . 1 1 116 116 GLU N N 116 115.380 115.380 117.441 -2.061 19108 4144 1 5 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.355 -0.033 19108 4145 1 5 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.672 0.390 19108 4146 1 5 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.768 -0.053 19108 4147 1 5 . 1 1 116 116 GLU H H 116 7.448 7.448 7.545 -0.097 19108 4148 1 5 . 1 1 117 117 ASN N N 117 119.831 119.831 117.531 2.300 19108 4149 1 5 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.956 0.109 19108 4150 1 5 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.413 -0.228 19108 4151 1 5 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.539 -0.293 19108 4152 1 5 . 1 1 117 117 ASN H H 117 7.632 7.632 8.302 -0.670 19108 4153 1 5 . 1 1 118 118 THR N N 118 111.041 111.041 114.779 -3.738 19108 4154 1 5 . 1 1 118 118 THR HA H 118 4.317 4.317 3.937 0.380 19108 4155 1 5 . 1 1 118 118 THR CA C 118 64.081 64.081 66.366 -2.285 19108 4156 1 5 . 1 1 118 118 THR CB C 118 68.767 68.767 68.397 0.370 19108 4157 1 5 . 1 1 118 118 THR H H 118 8.054 8.054 7.897 0.157 19108 4158 1 5 . 1 1 119 119 HIS N N 119 120.403 120.403 118.185 2.218 19108 4159 1 5 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.779 -0.490 19108 4160 1 5 . 1 1 119 119 HIS CA C 119 56.601 56.601 56.284 0.317 19108 4161 1 5 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.033 1.287 19108 4162 1 5 . 1 1 119 119 HIS H H 119 9.248 9.248 8.341 0.907 19108 4163 1 5 . 1 1 120 120 VAL N N 120 120.001 120.001 120.244 -0.243 19108 4164 1 5 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.447 0.079 19108 4165 1 5 . 1 1 120 120 VAL CA C 120 61.890 61.890 61.115 0.774 19108 4166 1 5 . 1 1 120 120 VAL CB C 120 32.995 32.995 32.529 0.466 19108 4167 1 5 . 1 1 120 120 VAL H H 120 7.379 7.379 7.893 -0.514 19108 4168 1 5 . 1 1 121 121 ARG N N 121 125.312 125.312 126.701 -1.389 19108 4169 1 5 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.507 0.303 19108 4170 1 5 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.586 -1.519 19108 4171 1 5 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.537 -0.957 19108 4172 1 5 . 1 1 121 121 ARG H H 121 8.775 8.775 8.166 0.609 19108 4173 1 5 . 1 1 122 122 LEU N N 122 125.483 125.483 116.556 8.927 19108 4174 1 5 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.314 -0.154 19108 4175 1 5 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.087 0.214 19108 4176 1 5 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.984 1.688 19108 4177 1 5 . 1 1 122 122 LEU H H 122 9.345 9.345 8.249 1.096 19108 4178 1 5 . 1 1 123 123 ARG N N 123 127.748 127.748 119.959 7.789 19108 4179 1 5 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.746 -0.010 19108 4180 1 5 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.588 -0.421 19108 4181 1 5 . 1 1 123 123 ARG CB C 123 32.812 32.812 33.705 -0.893 19108 4182 1 5 . 1 1 123 123 ARG H H 123 9.053 9.053 7.978 1.075 19108 4183 1 5 . 1 1 124 124 ILE N N 124 123.665 123.665 122.565 1.100 19108 4184 1 5 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.491 -0.049 19108 4185 1 5 . 1 1 124 124 ILE CA C 124 60.759 60.759 59.637 1.122 19108 4186 1 5 . 1 1 124 124 ILE CB C 124 41.893 41.893 41.189 0.704 19108 4187 1 5 . 1 1 124 124 ILE H H 124 9.019 9.019 8.263 0.756 19108 4188 1 5 . 1 1 125 125 PHE N N 125 126.320 126.320 125.722 0.598 19108 4189 1 5 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.308 -0.143 19108 4190 1 5 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.941 -0.026 19108 4191 1 5 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.668 0.151 19108 4192 1 5 . 1 1 125 125 PHE H H 125 9.359 9.359 8.119 1.240 19108 4193 1 5 . 1 1 126 126 ALA N N 126 124.526 124.526 127.563 -3.037 19108 4194 1 5 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.915 0.901 19108 4195 1 5 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.141 -2.271 19108 4196 1 5 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.334 1.000 19108 4197 1 5 . 1 1 126 126 ALA H H 126 9.091 9.091 8.372 0.719 19108 4198 1 5 . 1 1 127 127 ALA N N 127 126.272 126.272 128.595 -2.323 19108 4199 1 5 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.609 0.142 19108 4200 1 5 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.546 1.922 19108 4201 1 5 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.960 -0.355 19108 4202 1 5 . 1 1 127 127 ALA H H 127 9.049 9.049 9.173 -0.124 19108 4203 1 5 . 1 1 128 128 ARG N N 128 108.570 108.570 117.895 -9.325 19108 4204 1 5 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.874 -0.460 19108 4205 1 5 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.455 3.751 19108 4206 1 5 . 1 1 128 128 ARG H H 128 6.741 6.741 7.855 -1.114 19108 4207 1 5 . 1 1 129 129 ILE N N 129 121.285 121.285 122.351 -1.066 19108 4208 1 5 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.191 0.100 19108 4209 1 5 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.722 0.145 19108 4210 1 5 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.006 -0.177 19108 4211 1 5 . 1 1 129 129 ILE H H 129 8.340 8.340 8.215 0.125 19108 4212 1 5 . 1 1 130 130 TYR N N 130 130.143 130.143 125.191 4.952 19108 4213 1 5 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.362 0.973 19108 4214 1 5 . 1 1 130 130 TYR CA C 130 56.926 56.926 58.001 -1.075 19108 4215 1 5 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.350 -3.187 19108 4216 1 5 . 1 1 130 130 TYR H H 130 8.870 8.870 8.222 0.648 19108 4217 1 5 . 1 1 131 131 ASP N N 131 123.662 123.662 122.963 0.699 19108 4218 1 5 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.860 -1.193 19108 4219 1 5 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.693 1.020 19108 4220 1 5 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.561 -2.660 19108 4221 1 5 . 1 1 131 131 ASP H H 131 8.123 8.123 8.335 -0.212 19108 4222 1 5 . 1 1 132 132 TYR N N 132 116.852 116.852 119.489 -2.637 19108 4223 1 5 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.520 -0.605 19108 4224 1 5 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.678 -0.210 19108 4225 1 5 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.902 0.135 19108 4226 1 5 . 1 1 132 132 TYR H H 132 6.448 6.448 8.759 -2.311 19108 4227 1 5 . 1 1 133 133 ASP N N 133 116.930 116.930 119.618 -2.688 19108 4228 1 5 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.266 -1.101 19108 4229 1 5 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.691 2.091 19108 4230 1 5 . 1 1 133 133 ASP H H 133 7.005 7.005 7.780 -0.775 19108 4231 1 5 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.366 -0.263 19108 4232 1 5 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.908 -0.207 19108 4233 1 5 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.031 0.059 19108 4234 1 5 . 1 1 135 135 LEU N N 135 120.252 120.252 117.802 2.450 19108 4235 1 5 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.895 0.803 19108 4236 1 5 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.108 -1.728 19108 4237 1 5 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.167 -1.423 19108 4238 1 5 . 1 1 135 135 LEU H H 135 8.456 8.456 7.956 0.500 19108 4239 1 5 . 1 1 136 136 TYR N N 136 117.432 117.432 119.567 -2.135 19108 4240 1 5 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.933 0.128 19108 4241 1 5 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.681 0.377 19108 4242 1 5 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.203 0.377 19108 4243 1 5 . 1 1 136 136 TYR H H 136 8.028 8.028 7.660 0.368 19108 4244 1 5 . 1 1 137 137 LYS N N 137 122.000 122.000 117.728 4.272 19108 4245 1 5 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.882 1.417 19108 4246 1 5 . 1 1 137 137 LYS CB C 137 30.798 30.798 30.961 -0.163 19108 4247 1 5 . 1 1 137 137 LYS H H 137 7.503 7.503 7.013 0.490 19108 4248 1 5 . 1 1 138 138 GLU N N 138 121.833 121.833 120.202 1.631 19108 4249 1 5 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.753 1.088 19108 4250 1 5 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.373 -1.904 19108 4251 1 5 . 1 1 138 138 GLU H H 138 8.752 8.752 7.676 1.076 19108 4252 1 5 . 1 1 139 139 ALA N N 139 119.592 119.592 122.291 -2.699 19108 4253 1 5 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.094 -0.248 19108 4254 1 5 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.020 0.120 19108 4255 1 5 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.216 2.039 19108 4256 1 5 . 1 1 139 139 ALA H H 139 7.682 7.682 7.642 0.040 19108 4257 1 5 . 1 1 140 140 LEU N N 140 116.268 116.268 119.830 -3.562 19108 4258 1 5 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.854 0.339 19108 4259 1 5 . 1 1 140 140 LEU CB C 140 41.095 41.095 40.914 0.181 19108 4260 1 5 . 1 1 140 140 LEU H H 140 7.175 7.175 8.067 -0.892 19108 4261 1 5 . 1 1 141 141 GLN N N 141 117.550 117.550 118.485 -0.935 19108 4262 1 5 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.006 -0.287 19108 4263 1 5 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.457 0.594 19108 4264 1 5 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.499 -0.905 19108 4265 1 5 . 1 1 141 141 GLN H H 141 8.322 8.322 7.671 0.651 19108 4266 1 5 . 1 1 142 142 MET N N 142 118.520 118.520 119.597 -1.077 19108 4267 1 5 . 1 1 142 142 MET HA H 142 4.135 4.135 3.975 0.160 19108 4268 1 5 . 1 1 142 142 MET CA C 142 59.051 59.051 58.971 0.080 19108 4269 1 5 . 1 1 142 142 MET CB C 142 33.170 33.170 32.394 0.776 19108 4270 1 5 . 1 1 142 142 MET H H 142 8.241 8.241 8.266 -0.025 19108 4271 1 5 . 1 1 143 143 LEU N N 143 118.659 118.659 119.633 -0.974 19108 4272 1 5 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.013 0.279 19108 4273 1 5 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.090 0.025 19108 4274 1 5 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.627 -0.250 19108 4275 1 5 . 1 1 143 143 LEU H H 143 7.932 7.932 7.780 0.152 19108 4276 1 5 . 1 1 144 144 ARG N N 144 121.294 121.294 118.784 2.510 19108 4277 1 5 . 1 1 144 144 ARG HA H 144 4.426 4.426 4.018 0.408 19108 4278 1 5 . 1 1 144 144 ARG CA C 144 58.989 58.989 58.652 0.337 19108 4279 1 5 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.771 -1.663 19108 4280 1 5 . 1 1 144 144 ARG H H 144 7.968 7.968 7.736 0.232 19108 4281 1 5 . 1 1 145 145 ASP N N 145 122.553 122.553 118.011 4.542 19108 4282 1 5 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.562 -0.133 19108 4283 1 5 . 1 1 145 145 ASP CA C 145 56.578 56.578 54.861 1.716 19108 4284 1 5 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.978 -1.388 19108 4285 1 5 . 1 1 145 145 ASP H H 145 8.868 8.868 7.856 1.012 19108 4286 1 5 . 1 1 146 146 ALA N N 146 120.102 120.102 120.060 0.042 19108 4287 1 5 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.580 -0.162 19108 4288 1 5 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.047 -0.013 19108 4289 1 5 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.926 -0.631 19108 4290 1 5 . 1 1 146 146 ALA H H 146 7.737 7.737 7.855 -0.118 19108 4291 1 5 . 1 1 147 147 GLY N N 147 105.039 105.039 106.184 -1.145 19108 4292 1 5 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.625 0.239 19108 4293 1 5 . 1 1 147 147 GLY H H 147 7.966 7.966 7.599 0.367 19108 4294 1 5 . 1 1 148 148 ALA N N 148 124.181 124.181 124.462 -0.281 19108 4295 1 5 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.230 0.459 19108 4296 1 5 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.516 -1.057 19108 4297 1 5 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.838 -1.359 19108 4298 1 5 . 1 1 148 148 ALA H H 148 8.051 8.051 7.967 0.084 19108 4299 1 5 . 1 1 149 149 GLN N N 149 122.185 122.185 118.682 3.503 19108 4300 1 5 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.687 -0.248 19108 4301 1 5 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.763 0.192 19108 4302 1 5 . 1 1 149 149 GLN CB C 149 29.421 29.421 31.067 -1.646 19108 4303 1 5 . 1 1 149 149 GLN H H 149 7.953 7.953 7.953 -0.000 19108 4304 1 5 . 1 1 150 150 VAL N N 150 127.399 127.399 122.302 5.097 19108 4305 1 5 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.251 0.501 19108 4306 1 5 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.534 -0.095 19108 4307 1 5 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.158 0.020 19108 4308 1 5 . 1 1 150 150 VAL H H 150 8.658 8.658 8.404 0.254 19108 4309 1 5 . 1 1 151 151 SER N N 151 120.616 120.616 121.862 -1.246 19108 4310 1 5 . 1 1 151 151 SER HA H 151 5.179 5.179 4.759 0.420 19108 4311 1 5 . 1 1 151 151 SER CA C 151 56.981 56.981 57.395 -0.414 19108 4312 1 5 . 1 1 151 151 SER CB C 151 66.538 66.538 65.888 0.650 19108 4313 1 5 . 1 1 151 151 SER H H 151 8.737 8.737 8.308 0.429 19108 4314 1 5 . 1 1 152 152 ILE N N 152 123.180 123.180 121.461 1.719 19108 4315 1 5 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.248 0.899 19108 4316 1 5 . 1 1 152 152 ILE CA C 152 56.518 56.518 59.842 -3.324 19108 4317 1 5 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.477 -2.397 19108 4318 1 5 . 1 1 152 152 ILE H H 152 8.672 8.672 8.522 0.150 19108 4319 1 5 . 1 1 153 153 MET N N 153 123.477 123.477 128.058 -4.581 19108 4320 1 5 . 1 1 153 153 MET HA H 153 3.886 3.886 4.847 -0.961 19108 4321 1 5 . 1 1 153 153 MET CA C 153 59.053 59.053 56.042 3.011 19108 4322 1 5 . 1 1 153 153 MET CB C 153 34.793 34.793 32.714 2.079 19108 4323 1 5 . 1 1 153 153 MET H H 153 8.314 8.314 8.287 0.027 19108 4324 1 5 . 1 1 154 154 THR N N 154 117.621 117.621 111.534 6.087 19108 4325 1 5 . 1 1 154 154 THR HA H 154 4.951 4.951 4.801 0.150 19108 4326 1 5 . 1 1 154 154 THR CA C 154 60.436 60.436 59.838 0.598 19108 4327 1 5 . 1 1 154 154 THR CB C 154 72.370 72.370 72.267 0.103 19108 4328 1 5 . 1 1 154 154 THR H H 154 9.630 9.630 8.166 1.464 19108 4329 1 5 . 1 1 155 155 TYR N N 155 121.751 121.751 127.426 -5.675 19108 4330 1 5 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.029 0.070 19108 4331 1 5 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.219 2.220 19108 4332 1 5 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.853 1.433 19108 4333 1 5 . 1 1 155 155 TYR H H 155 9.769 9.769 9.168 0.601 19108 4334 1 5 . 1 1 156 156 ASP N N 156 115.555 115.555 117.406 -1.851 19108 4335 1 5 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.761 0.347 19108 4336 1 5 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.556 0.704 19108 4337 1 5 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.816 0.802 19108 4338 1 5 . 1 1 156 156 ASP H H 156 8.230 8.230 8.443 -0.213 19108 4339 1 5 . 1 1 157 157 GLU N N 157 117.678 117.678 120.897 -3.219 19108 4340 1 5 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.009 -0.139 19108 4341 1 5 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.224 1.284 19108 4342 1 5 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.473 1.575 19108 4343 1 5 . 1 1 157 157 GLU H H 157 7.470 7.470 7.786 -0.316 19108 4344 1 5 . 1 1 158 158 PHE N N 158 119.869 119.869 118.527 1.342 19108 4345 1 5 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.097 -0.268 19108 4346 1 5 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.990 0.786 19108 4347 1 5 . 1 1 158 158 PHE CB C 158 39.907 39.907 39.055 0.852 19108 4348 1 5 . 1 1 158 158 PHE H H 158 8.077 8.077 8.661 -0.584 19108 4349 1 5 . 1 1 159 159 LYS N N 159 118.859 118.859 119.642 -0.783 19108 4350 1 5 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.943 -0.026 19108 4351 1 5 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.784 -0.553 19108 4352 1 5 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.118 -0.155 19108 4353 1 5 . 1 1 159 159 LYS H H 159 8.273 8.273 7.822 0.451 19108 4354 1 5 . 1 1 160 160 HIS N N 160 115.889 115.889 119.112 -3.223 19108 4355 1 5 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.282 -0.123 19108 4356 1 5 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.771 1.210 19108 4357 1 5 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.390 -1.460 19108 4358 1 5 . 1 1 160 160 HIS H H 160 7.695 7.695 7.716 -0.021 19108 4359 1 5 . 1 1 161 161 CYS N N 161 118.188 118.188 117.808 0.380 19108 4360 1 5 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.101 0.688 19108 4361 1 5 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.255 0.539 19108 4362 1 5 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.464 1.422 19108 4363 1 5 . 1 1 161 161 CYS H H 161 7.885 7.885 7.701 0.184 19108 4364 1 5 . 1 1 162 162 TRP N N 162 122.741 122.741 121.710 1.031 19108 4365 1 5 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.468 0.296 19108 4366 1 5 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.401 0.316 19108 4367 1 5 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.856 -0.263 19108 4368 1 5 . 1 1 162 162 TRP H H 162 8.040 8.040 7.770 0.270 19108 4369 1 5 . 1 1 163 163 ASP N N 163 113.796 113.796 118.739 -4.943 19108 4370 1 5 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.475 0.651 19108 4371 1 5 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.763 1.166 19108 4372 1 5 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.156 0.379 19108 4373 1 5 . 1 1 163 163 ASP H H 163 8.319 8.319 7.732 0.587 19108 4374 1 5 . 1 1 164 164 THR N N 164 112.008 112.008 113.301 -1.293 19108 4375 1 5 . 1 1 164 164 THR HA H 164 3.803 3.803 3.936 -0.133 19108 4376 1 5 . 1 1 164 164 THR CA C 164 65.164 65.164 64.457 0.707 19108 4377 1 5 . 1 1 164 164 THR CB C 164 70.171 70.171 69.396 0.775 19108 4378 1 5 . 1 1 164 164 THR H H 164 7.494 7.494 7.612 -0.118 19108 4379 1 5 . 1 1 165 165 PHE N N 165 115.079 115.079 118.431 -3.352 19108 4380 1 5 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.453 0.082 19108 4381 1 5 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.664 0.305 19108 4382 1 5 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.360 0.008 19108 4383 1 5 . 1 1 165 165 PHE H H 165 8.235 8.235 7.111 1.124 19108 4384 1 5 . 1 1 166 166 VAL N N 166 118.432 118.432 118.850 -0.418 19108 4385 1 5 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.329 -0.304 19108 4386 1 5 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.369 0.632 19108 4387 1 5 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.203 -3.848 19108 4388 1 5 . 1 1 166 166 VAL H H 166 6.838 6.838 6.892 -0.054 19108 4389 1 5 . 1 1 167 167 ASP N N 167 126.263 126.263 128.480 -2.217 19108 4390 1 5 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.553 -0.705 19108 4391 1 5 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.364 -2.733 19108 4392 1 5 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.351 -1.271 19108 4393 1 5 . 1 1 167 167 ASP H H 167 8.498 8.498 8.644 -0.146 19108 4394 1 5 . 1 1 168 168 HIS N N 168 119.890 119.890 117.244 2.646 19108 4395 1 5 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.323 0.023 19108 4396 1 5 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.432 -0.857 19108 4397 1 5 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.877 2.585 19108 4398 1 5 . 1 1 168 168 HIS H H 168 6.977 6.977 7.890 -0.913 19108 4399 1 5 . 1 1 169 169 GLN N N 169 119.254 119.254 114.465 4.789 19108 4400 1 5 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.966 -0.243 19108 4401 1 5 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.471 0.299 19108 4402 1 5 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.157 -0.636 19108 4403 1 5 . 1 1 169 169 GLN H H 169 9.126 9.126 8.904 0.222 19108 4404 1 5 . 1 1 170 170 GLY N N 170 111.911 111.911 102.374 9.537 19108 4405 1 5 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.227 0.597 19108 4406 1 5 . 1 1 170 170 GLY H H 170 11.556 11.556 6.134 5.422 19108 4407 1 5 . 1 1 171 171 CYS N N 171 123.390 123.390 120.669 2.721 19108 4408 1 5 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.927 -0.211 19108 4409 1 5 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.760 2.025 19108 4410 1 5 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.037 -1.133 19108 4411 1 5 . 1 1 171 171 CYS H H 171 8.044 8.044 7.405 0.639 19108 4412 1 5 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.748 -0.130 19108 4413 1 5 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.627 -0.768 19108 4414 1 5 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.008 0.521 19108 4415 1 5 . 1 1 173 173 PHE N N 173 121.101 121.101 122.656 -1.555 19108 4416 1 5 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.242 -1.586 19108 4417 1 5 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.098 1.443 19108 4418 1 5 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.966 -0.220 19108 4419 1 5 . 1 1 173 173 PHE H H 173 8.842 8.842 6.994 1.848 19108 4420 1 5 . 1 1 174 174 GLN N N 174 129.493 129.493 122.331 7.162 19108 4421 1 5 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.020 0.297 19108 4422 1 5 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.587 -0.792 19108 4423 1 5 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.218 0.879 19108 4424 1 5 . 1 1 174 174 GLN H H 174 7.250 7.250 7.833 -0.583 19108 4425 1 5 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.643 -0.729 19108 4426 1 5 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.330 0.093 19108 4427 1 5 . 1 1 176 176 TRP N N 176 118.133 118.133 122.889 -4.756 19108 4428 1 5 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.615 0.018 19108 4429 1 5 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.112 1.050 19108 4430 1 5 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.451 -0.562 19108 4431 1 5 . 1 1 176 176 TRP H H 176 5.591 5.591 6.975 -1.384 19108 4432 1 5 . 1 1 177 177 ASP N N 177 121.814 121.814 119.869 1.945 19108 4433 1 5 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.348 0.049 19108 4434 1 5 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.889 1.282 19108 4435 1 5 . 1 1 177 177 ASP CB C 177 40.675 40.675 38.847 1.828 19108 4436 1 5 . 1 1 177 177 ASP H H 177 8.848 8.848 8.582 0.266 19108 4437 1 5 . 1 1 178 178 GLY N N 178 111.875 111.875 110.066 1.809 19108 4438 1 5 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.312 0.354 19108 4439 1 5 . 1 1 178 178 GLY H H 178 8.987 8.987 8.468 0.519 19108 4440 1 5 . 1 1 179 179 LEU N N 179 121.470 121.470 123.409 -1.939 19108 4441 1 5 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.172 0.316 19108 4442 1 5 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.742 2.040 19108 4443 1 5 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.765 0.464 19108 4444 1 5 . 1 1 179 179 LEU H H 179 7.148 7.148 8.231 -1.083 19108 4445 1 5 . 1 1 180 180 ASP N N 180 119.476 119.476 119.114 0.362 19108 4446 1 5 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.289 0.203 19108 4447 1 5 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.623 -0.684 19108 4448 1 5 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.548 0.165 19108 4449 1 5 . 1 1 180 180 ASP H H 180 8.874 8.874 8.734 0.140 19108 4450 1 5 . 1 1 181 181 GLU N N 181 122.379 122.379 118.874 3.505 19108 4451 1 5 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.922 0.090 19108 4452 1 5 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.799 0.170 19108 4453 1 5 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.511 -0.585 19108 4454 1 5 . 1 1 181 181 GLU H H 181 8.712 8.712 8.535 0.177 19108 4455 1 5 . 1 1 182 182 HIS N N 182 118.572 118.572 118.834 -0.262 19108 4456 1 5 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.229 0.525 19108 4457 1 5 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.856 -0.827 19108 4458 1 5 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.907 -1.060 19108 4459 1 5 . 1 1 182 182 HIS H H 182 8.854 8.854 8.745 0.109 19108 4460 1 5 . 1 1 183 183 SER N N 183 116.329 116.329 115.076 1.253 19108 4461 1 5 . 1 1 183 183 SER HA H 183 4.554 4.554 4.179 0.375 19108 4462 1 5 . 1 1 183 183 SER CA C 183 63.604 63.604 62.327 1.277 19108 4463 1 5 . 1 1 183 183 SER CB C 183 65.216 65.216 62.882 2.334 19108 4464 1 5 . 1 1 183 183 SER H H 183 8.665 8.665 8.745 -0.080 19108 4465 1 5 . 1 1 184 184 GLN N N 184 122.215 122.215 121.097 1.118 19108 4466 1 5 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.100 0.147 19108 4467 1 5 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.596 0.364 19108 4468 1 5 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.509 0.426 19108 4469 1 5 . 1 1 184 184 GLN H H 184 8.714 8.714 7.782 0.932 19108 4470 1 5 . 1 1 185 185 ALA N N 185 124.432 124.432 123.285 1.147 19108 4471 1 5 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.080 0.204 19108 4472 1 5 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.052 0.417 19108 4473 1 5 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.188 0.186 19108 4474 1 5 . 1 1 185 185 ALA H H 185 8.258 8.258 8.217 0.041 19108 4475 1 5 . 1 1 186 186 LEU N N 186 119.941 119.941 118.817 1.124 19108 4476 1 5 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.822 0.390 19108 4477 1 5 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.378 -0.162 19108 4478 1 5 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.633 1.131 19108 4479 1 5 . 1 1 186 186 LEU H H 186 8.953 8.953 8.798 0.155 19108 4480 1 5 . 1 1 187 187 SER N N 187 116.987 116.987 114.216 2.771 19108 4481 1 5 . 1 1 187 187 SER HA H 187 4.039 4.039 4.220 -0.181 19108 4482 1 5 . 1 1 187 187 SER CA C 187 63.302 63.302 62.149 1.153 19108 4483 1 5 . 1 1 187 187 SER CB C 187 62.760 62.760 62.224 0.536 19108 4484 1 5 . 1 1 187 187 SER H H 187 8.935 8.935 8.579 0.356 19108 4485 1 5 . 1 1 188 188 GLY N N 188 110.215 110.215 110.345 -0.130 19108 4486 1 5 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.999 0.155 19108 4487 1 5 . 1 1 188 188 GLY H H 188 8.228 8.228 7.917 0.311 19108 4488 1 5 . 1 1 189 189 ARG N N 189 122.994 122.994 121.873 1.121 19108 4489 1 5 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.991 0.246 19108 4490 1 5 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.312 0.246 19108 4491 1 5 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.793 0.602 19108 4492 1 5 . 1 1 189 189 ARG H H 189 7.838 7.838 7.769 0.069 19108 4493 1 5 . 1 1 190 190 LEU N N 190 119.765 119.765 119.151 0.614 19108 4494 1 5 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.216 0.022 19108 4495 1 5 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.542 0.677 19108 4496 1 5 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.077 0.165 19108 4497 1 5 . 1 1 190 190 LEU H H 190 8.791 8.791 7.858 0.933 19108 4498 1 5 . 1 1 191 191 ARG N N 191 118.427 118.427 118.007 0.420 19108 4499 1 5 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.061 -0.018 19108 4500 1 5 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.646 1.136 19108 4501 1 5 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.303 -0.112 19108 4502 1 5 . 1 1 191 191 ARG H H 191 8.305 8.305 8.431 -0.126 19108 4503 1 5 . 1 1 192 192 ALA N N 192 119.414 119.414 122.768 -3.354 19108 4504 1 5 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.159 0.058 19108 4505 1 5 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.649 0.067 19108 4506 1 5 . 1 1 192 192 ALA CB C 192 18.165 18.165 19.026 -0.861 19108 4507 1 5 . 1 1 192 192 ALA H H 192 7.414 7.414 7.577 -0.163 19108 4508 1 5 . 1 1 193 193 ILE N N 193 118.949 118.949 119.062 -0.113 19108 4509 1 5 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.773 -0.003 19108 4510 1 5 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.283 0.555 19108 4511 1 5 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.159 1.287 19108 4512 1 5 . 1 1 193 193 ILE H H 193 7.896 7.896 7.742 0.154 19108 4513 1 5 . 1 1 194 194 LEU N N 194 116.435 116.435 117.788 -1.353 19108 4514 1 5 . 1 1 194 194 LEU HA H 194 4.273 4.273 3.933 0.340 19108 4515 1 5 . 1 1 194 194 LEU CA C 194 55.713 55.713 57.209 -1.496 19108 4516 1 5 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.228 -1.757 19108 4517 1 5 . 1 1 194 194 LEU H H 194 8.296 8.296 7.892 0.404 19108 4518 1 5 . 1 1 195 195 GLN N N 195 118.580 118.580 114.636 3.944 19108 4519 1 5 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.881 0.454 19108 4520 1 5 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.499 -2.082 19108 4521 1 5 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.704 1.894 19108 4522 1 5 . 1 1 195 195 GLN H H 195 7.921 7.921 7.942 -0.021 19108 4523 1 5 . 1 1 196 196 ASN N N 196 118.941 118.941 118.491 0.450 19108 4524 1 5 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.696 0.006 19108 4525 1 5 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.060 0.390 19108 4526 1 5 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.627 0.198 19108 4527 1 5 . 1 1 196 196 ASN H H 196 8.078 8.078 8.516 -0.438 19108 4528 1 5 . 1 1 197 197 GLN N N 197 120.984 120.984 117.410 3.574 19108 4529 1 5 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.109 0.247 19108 4530 1 5 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.590 -0.424 19108 4531 1 5 . 1 1 197 197 GLN CB C 197 29.496 29.496 27.689 1.807 19108 4532 1 5 . 1 1 197 197 GLN H H 197 8.526 8.526 8.499 0.027 19108 4533 1 5 . 1 1 198 198 GLY N N 198 109.565 109.565 105.945 3.620 19108 4534 1 5 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.771 0.613 19108 4535 1 5 . 1 1 198 198 GLY H H 198 8.467 8.467 7.892 0.575 19108 4536 1 6 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.409 -0.035 19108 4537 1 6 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.477 -0.129 19108 4538 1 6 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.818 -0.365 19108 4539 1 6 . 1 1 3 3 ALA N N 3 125.932 125.932 122.380 3.552 19108 4540 1 6 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.544 -0.194 19108 4541 1 6 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.733 0.674 19108 4542 1 6 . 1 1 3 3 ALA CB C 3 19.580 19.580 20.132 -0.552 19108 4543 1 6 . 1 1 3 3 ALA H H 3 8.526 8.526 8.254 0.272 19108 4544 1 6 . 1 1 4 4 SER N N 4 116.729 116.729 120.331 -3.602 19108 4545 1 6 . 1 1 4 4 SER HA H 4 4.766 4.766 4.725 0.041 19108 4546 1 6 . 1 1 4 4 SER CA C 4 56.283 56.283 56.449 -0.166 19108 4547 1 6 . 1 1 4 4 SER CB C 4 63.278 63.278 62.504 0.774 19108 4548 1 6 . 1 1 4 4 SER H H 4 8.397 8.397 8.053 0.344 19108 4549 1 6 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.443 0.003 19108 4550 1 6 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.539 -0.234 19108 4551 1 6 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.759 0.338 19108 4552 1 6 . 1 1 6 6 ALA N N 6 124.236 124.236 120.740 3.496 19108 4553 1 6 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.338 -0.005 19108 4554 1 6 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.622 0.941 19108 4555 1 6 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.067 -0.733 19108 4556 1 6 . 1 1 6 6 ALA H H 6 8.411 8.411 7.606 0.805 19108 4557 1 6 . 1 1 7 7 SER N N 7 114.497 114.497 117.014 -2.517 19108 4558 1 6 . 1 1 7 7 SER HA H 7 4.475 4.475 4.334 0.141 19108 4559 1 6 . 1 1 7 7 SER CA C 7 58.258 58.258 58.086 0.172 19108 4560 1 6 . 1 1 7 7 SER CB C 7 64.174 64.174 63.472 0.702 19108 4561 1 6 . 1 1 7 7 SER H H 7 8.195 8.195 8.426 -0.231 19108 4562 1 6 . 1 1 8 8 GLY N N 8 110.497 110.497 110.204 0.293 19108 4563 1 6 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.925 -0.079 19108 4564 1 6 . 1 1 8 8 GLY H H 8 8.226 8.226 8.191 0.035 19108 4565 1 6 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.308 0.141 19108 4566 1 6 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.704 0.730 19108 4567 1 6 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.908 -0.715 19108 4568 1 6 . 1 1 10 10 ARG N N 10 120.534 120.534 120.163 0.371 19108 4569 1 6 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.347 -0.006 19108 4570 1 6 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.992 1.024 19108 4571 1 6 . 1 1 10 10 ARG CB C 10 30.809 30.809 33.694 -2.885 19108 4572 1 6 . 1 1 10 10 ARG H H 10 8.469 8.469 7.986 0.483 19108 4573 1 6 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.298 0.527 19108 4574 1 6 . 1 1 11 11 HIS CA C 11 55.461 55.461 56.091 -0.630 19108 4575 1 6 . 1 1 11 11 HIS CB C 11 30.191 30.191 27.672 2.519 19108 4576 1 6 . 1 1 12 12 LEU N N 12 122.284 122.284 116.955 5.329 19108 4577 1 6 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.732 0.877 19108 4578 1 6 . 1 1 12 12 LEU CB C 12 45.030 45.030 42.957 2.073 19108 4579 1 6 . 1 1 12 12 LEU H H 12 8.250 8.250 7.546 0.704 19108 4580 1 6 . 1 1 13 13 MET N N 13 121.493 121.493 116.769 4.724 19108 4581 1 6 . 1 1 13 13 MET HA H 13 4.038 4.038 4.625 -0.587 19108 4582 1 6 . 1 1 13 13 MET CA C 13 54.449 54.449 55.866 -1.417 19108 4583 1 6 . 1 1 13 13 MET CB C 13 35.015 35.015 32.627 2.388 19108 4584 1 6 . 1 1 13 13 MET H H 13 8.955 8.955 8.750 0.205 19108 4585 1 6 . 1 1 14 14 ASP N N 14 127.113 127.113 119.923 7.190 19108 4586 1 6 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.181 -1.081 19108 4587 1 6 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.564 -0.108 19108 4588 1 6 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.432 1.078 19108 4589 1 6 . 1 1 14 14 ASP H H 14 8.514 8.514 8.497 0.017 19108 4590 1 6 . 1 1 15 15 PRO HA H 15 3.853 3.853 3.932 -0.079 19108 4591 1 6 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.116 0.538 19108 4592 1 6 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.728 -0.077 19108 4593 1 6 . 1 1 16 16 HIS N N 16 115.776 115.776 115.570 0.206 19108 4594 1 6 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.378 -0.100 19108 4595 1 6 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.106 -0.188 19108 4596 1 6 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.343 0.865 19108 4597 1 6 . 1 1 16 16 HIS H H 16 8.591 8.591 7.349 1.242 19108 4598 1 6 . 1 1 17 17 ILE N N 17 122.675 122.675 120.407 2.268 19108 4599 1 6 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.795 -0.311 19108 4600 1 6 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.731 -1.506 19108 4601 1 6 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.565 -0.468 19108 4602 1 6 . 1 1 17 17 ILE H H 17 7.558 7.558 8.315 -0.757 19108 4603 1 6 . 1 1 18 18 PHE N N 18 120.513 120.513 121.698 -1.185 19108 4604 1 6 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.383 -0.380 19108 4605 1 6 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.893 0.911 19108 4606 1 6 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.560 0.080 19108 4607 1 6 . 1 1 18 18 PHE H H 18 7.831 7.831 8.006 -0.175 19108 4608 1 6 . 1 1 19 19 THR N N 19 114.555 114.555 116.354 -1.799 19108 4609 1 6 . 1 1 19 19 THR HA H 19 3.657 3.657 4.126 -0.469 19108 4610 1 6 . 1 1 19 19 THR CA C 19 66.485 66.485 67.200 -0.715 19108 4611 1 6 . 1 1 19 19 THR CB C 19 68.345 68.345 68.526 -0.181 19108 4612 1 6 . 1 1 19 19 THR H H 19 9.036 9.036 8.918 0.118 19108 4613 1 6 . 1 1 20 20 SER N N 20 113.030 113.030 115.688 -2.658 19108 4614 1 6 . 1 1 20 20 SER HA H 20 4.062 4.062 4.226 -0.164 19108 4615 1 6 . 1 1 20 20 SER CA C 20 60.610 60.610 60.695 -0.085 19108 4616 1 6 . 1 1 20 20 SER CB C 20 63.843 63.843 63.402 0.441 19108 4617 1 6 . 1 1 20 20 SER H H 20 7.809 7.809 8.658 -0.849 19108 4618 1 6 . 1 1 21 21 ASN N N 21 115.629 115.629 121.136 -5.507 19108 4619 1 6 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.319 0.092 19108 4620 1 6 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.289 1.700 19108 4621 1 6 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.820 3.760 19108 4622 1 6 . 1 1 21 21 ASN H H 21 7.362 7.362 7.637 -0.275 19108 4623 1 6 . 1 1 22 22 PHE N N 22 117.773 117.773 116.319 1.454 19108 4624 1 6 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.599 -0.326 19108 4625 1 6 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.524 -1.064 19108 4626 1 6 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.797 -0.967 19108 4627 1 6 . 1 1 22 22 PHE H H 22 8.296 8.296 8.374 -0.078 19108 4628 1 6 . 1 1 23 23 ASN N N 23 115.026 115.026 120.214 -5.188 19108 4629 1 6 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.394 0.135 19108 4630 1 6 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.993 -0.351 19108 4631 1 6 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.915 -2.292 19108 4632 1 6 . 1 1 23 23 ASN H H 23 6.097 6.097 7.364 -1.267 19108 4633 1 6 . 1 1 24 24 ASN N N 24 122.900 122.900 125.333 -2.433 19108 4634 1 6 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.577 -0.144 19108 4635 1 6 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.564 -1.291 19108 4636 1 6 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.641 -0.749 19108 4637 1 6 . 1 1 24 24 ASN H H 24 7.083 7.083 8.397 -1.314 19108 4638 1 6 . 1 1 25 25 GLY N N 25 105.587 105.587 112.090 -6.503 19108 4639 1 6 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.412 -0.547 19108 4640 1 6 . 1 1 25 25 GLY H H 25 8.520 8.520 8.634 -0.114 19108 4641 1 6 . 1 1 26 26 ILE N N 26 120.182 120.182 119.100 1.082 19108 4642 1 6 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.510 -0.336 19108 4643 1 6 . 1 1 26 26 ILE CA C 26 60.443 60.443 57.788 2.655 19108 4644 1 6 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.891 0.624 19108 4645 1 6 . 1 1 26 26 ILE H H 26 6.944 6.944 7.668 -0.724 19108 4646 1 6 . 1 1 27 27 GLY N N 27 111.665 111.665 106.686 4.979 19108 4647 1 6 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.282 0.037 19108 4648 1 6 . 1 1 27 27 GLY H H 27 8.457 8.457 8.651 -0.194 19108 4649 1 6 . 1 1 28 28 ARG N N 28 117.565 117.565 120.667 -3.102 19108 4650 1 6 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.003 -1.438 19108 4651 1 6 . 1 1 28 28 ARG H H 28 6.741 6.741 8.153 -1.412 19108 4652 1 6 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.868 2.135 19108 4653 1 6 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.233 -0.189 19108 4654 1 6 . 1 1 29 29 HIS H H 29 8.636 8.636 8.647 -0.011 19108 4655 1 6 . 1 1 30 30 LYS N N 30 119.344 119.344 123.392 -4.048 19108 4656 1 6 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.425 -0.004 19108 4657 1 6 . 1 1 30 30 LYS CA C 30 56.864 56.864 54.754 2.110 19108 4658 1 6 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.115 2.075 19108 4659 1 6 . 1 1 30 30 LYS H H 30 7.870 7.870 7.501 0.369 19108 4660 1 6 . 1 1 31 31 THR N N 31 118.233 118.233 112.433 5.800 19108 4661 1 6 . 1 1 31 31 THR HA H 31 4.125 4.125 3.242 0.883 19108 4662 1 6 . 1 1 31 31 THR CA C 31 63.175 63.175 62.778 0.397 19108 4663 1 6 . 1 1 31 31 THR H H 31 8.436 8.436 6.954 1.482 19108 4664 1 6 . 1 1 32 32 TYR N N 32 124.026 124.026 125.617 -1.591 19108 4665 1 6 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.016 -0.080 19108 4666 1 6 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.494 0.007 19108 4667 1 6 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.178 2.226 19108 4668 1 6 . 1 1 32 32 TYR H H 32 8.244 8.244 8.300 -0.056 19108 4669 1 6 . 1 1 33 33 LEU N N 33 125.428 125.428 124.600 0.828 19108 4670 1 6 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.242 -0.163 19108 4671 1 6 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.560 1.278 19108 4672 1 6 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.433 1.551 19108 4673 1 6 . 1 1 33 33 LEU H H 33 9.232 9.232 8.356 0.876 19108 4674 1 6 . 1 1 34 34 CYS N N 34 125.975 125.975 124.569 1.406 19108 4675 1 6 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.374 -0.368 19108 4676 1 6 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.123 1.022 19108 4677 1 6 . 1 1 34 34 CYS CB C 34 28.302 28.302 29.362 -1.060 19108 4678 1 6 . 1 1 34 34 CYS H H 34 9.640 9.640 8.975 0.665 19108 4679 1 6 . 1 1 35 35 TYR N N 35 121.183 121.183 117.858 3.325 19108 4680 1 6 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.843 0.645 19108 4681 1 6 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.476 -0.694 19108 4682 1 6 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.754 1.336 19108 4683 1 6 . 1 1 35 35 TYR H H 35 9.094 9.094 8.671 0.423 19108 4684 1 6 . 1 1 36 36 GLU N N 36 115.538 115.538 121.396 -5.858 19108 4685 1 6 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.999 0.436 19108 4686 1 6 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.571 -0.180 19108 4687 1 6 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.443 0.101 19108 4688 1 6 . 1 1 36 36 GLU H H 36 8.977 8.977 8.779 0.198 19108 4689 1 6 . 1 1 37 37 VAL N N 37 121.600 121.600 124.914 -3.314 19108 4690 1 6 . 1 1 37 37 VAL HA H 37 5.159 5.159 5.005 0.154 19108 4691 1 6 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.350 1.698 19108 4692 1 6 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.954 1.116 19108 4693 1 6 . 1 1 37 37 VAL H H 37 9.271 9.271 9.257 0.014 19108 4694 1 6 . 1 1 38 38 GLU N N 38 125.227 125.227 126.239 -1.012 19108 4695 1 6 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.060 0.158 19108 4696 1 6 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.427 -0.175 19108 4697 1 6 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.373 1.554 19108 4698 1 6 . 1 1 38 38 GLU H H 38 9.114 9.114 8.500 0.614 19108 4699 1 6 . 1 1 39 39 ARG N N 39 124.872 124.872 124.744 0.128 19108 4700 1 6 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.216 1.149 19108 4701 1 6 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.911 -0.664 19108 4702 1 6 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.747 0.818 19108 4703 1 6 . 1 1 39 39 ARG H H 39 9.215 9.215 8.599 0.616 19108 4704 1 6 . 1 1 40 40 LEU N N 40 126.510 126.510 126.645 -0.135 19108 4705 1 6 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.601 0.152 19108 4706 1 6 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.479 -0.156 19108 4707 1 6 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.638 -2.795 19108 4708 1 6 . 1 1 40 40 LEU H H 40 8.659 8.659 7.711 0.948 19108 4709 1 6 . 1 1 41 41 ASP N N 41 124.410 124.410 123.912 0.498 19108 4710 1 6 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.705 0.088 19108 4711 1 6 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.685 -0.467 19108 4712 1 6 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.393 -0.660 19108 4713 1 6 . 1 1 41 41 ASP H H 41 8.575 8.575 8.205 0.370 19108 4714 1 6 . 1 1 42 42 ASN N N 42 123.319 123.319 123.992 -0.673 19108 4715 1 6 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.365 0.055 19108 4716 1 6 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.680 0.493 19108 4717 1 6 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.931 -0.083 19108 4718 1 6 . 1 1 42 42 ASN H H 42 9.048 9.048 8.874 0.174 19108 4719 1 6 . 1 1 43 43 GLY N N 43 106.044 106.044 100.808 5.236 19108 4720 1 6 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.514 -0.120 19108 4721 1 6 . 1 1 43 43 GLY H H 43 8.548 8.548 8.300 0.248 19108 4722 1 6 . 1 1 44 44 THR N N 44 115.893 115.893 117.453 -1.560 19108 4723 1 6 . 1 1 44 44 THR HA H 44 4.524 4.524 4.419 0.105 19108 4724 1 6 . 1 1 44 44 THR CA C 44 61.285 61.285 61.540 -0.255 19108 4725 1 6 . 1 1 44 44 THR CB C 44 70.572 70.572 69.424 1.148 19108 4726 1 6 . 1 1 44 44 THR H H 44 7.833 7.833 7.593 0.240 19108 4727 1 6 . 1 1 45 45 SER N N 45 119.589 119.589 123.261 -3.672 19108 4728 1 6 . 1 1 45 45 SER HA H 45 4.804 4.804 4.688 0.116 19108 4729 1 6 . 1 1 45 45 SER CA C 45 58.080 58.080 57.636 0.444 19108 4730 1 6 . 1 1 45 45 SER CB C 45 64.265 64.265 63.504 0.761 19108 4731 1 6 . 1 1 45 45 SER H H 45 8.590 8.590 8.824 -0.234 19108 4732 1 6 . 1 1 46 46 VAL N N 46 125.827 125.827 128.813 -2.986 19108 4733 1 6 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.178 0.115 19108 4734 1 6 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.420 0.423 19108 4735 1 6 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.092 1.425 19108 4736 1 6 . 1 1 46 46 VAL H H 46 9.034 9.034 8.991 0.043 19108 4737 1 6 . 1 1 47 47 LYS N N 47 126.528 126.528 127.567 -1.039 19108 4738 1 6 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.430 -0.145 19108 4739 1 6 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.739 0.926 19108 4740 1 6 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.888 -0.096 19108 4741 1 6 . 1 1 47 47 LYS H H 47 8.738 8.738 8.453 0.285 19108 4742 1 6 . 1 1 48 48 MET N N 48 122.645 122.645 124.480 -1.835 19108 4743 1 6 . 1 1 48 48 MET HA H 48 5.195 5.195 4.304 0.891 19108 4744 1 6 . 1 1 48 48 MET CA C 48 54.747 54.747 56.959 -2.212 19108 4745 1 6 . 1 1 48 48 MET CB C 48 32.379 32.379 33.204 -0.825 19108 4746 1 6 . 1 1 48 48 MET H H 48 8.334 8.334 8.235 0.099 19108 4747 1 6 . 1 1 49 49 ASP N N 49 123.713 123.713 118.912 4.801 19108 4748 1 6 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.560 -0.136 19108 4749 1 6 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.111 0.499 19108 4750 1 6 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.836 0.198 19108 4751 1 6 . 1 1 49 49 ASP H H 49 8.575 8.575 8.704 -0.129 19108 4752 1 6 . 1 1 50 50 GLN N N 50 117.540 117.540 118.427 -0.887 19108 4753 1 6 . 1 1 50 50 GLN H H 50 9.110 9.110 8.362 0.748 19108 4754 1 6 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.751 0.400 19108 4755 1 6 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.669 -1.835 19108 4756 1 6 . 1 1 51 51 HIS H H 51 8.031 8.031 8.441 -0.410 19108 4757 1 6 . 1 1 52 52 ARG N N 52 117.888 117.888 120.735 -2.847 19108 4758 1 6 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.715 0.522 19108 4759 1 6 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.362 -0.307 19108 4760 1 6 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.574 1.480 19108 4761 1 6 . 1 1 52 52 ARG H H 52 7.685 7.685 7.756 -0.071 19108 4762 1 6 . 1 1 53 53 GLY N N 53 108.573 108.573 109.842 -1.269 19108 4763 1 6 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.432 1.276 19108 4764 1 6 . 1 1 53 53 GLY H H 53 7.529 7.529 7.360 0.169 19108 4765 1 6 . 1 1 54 54 PHE N N 54 113.146 113.146 115.157 -2.011 19108 4766 1 6 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.566 0.429 19108 4767 1 6 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.625 -0.769 19108 4768 1 6 . 1 1 54 54 PHE CB C 54 44.363 44.363 40.586 3.777 19108 4769 1 6 . 1 1 54 54 PHE H H 54 8.287 8.287 7.801 0.486 19108 4770 1 6 . 1 1 55 55 LEU N N 55 119.389 119.389 120.272 -0.883 19108 4771 1 6 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.425 0.270 19108 4772 1 6 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.423 1.289 19108 4773 1 6 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.279 1.349 19108 4774 1 6 . 1 1 55 55 LEU H H 55 9.452 9.452 8.514 0.938 19108 4775 1 6 . 1 1 56 56 HIS N N 56 114.176 114.176 115.371 -1.195 19108 4776 1 6 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.911 0.528 19108 4777 1 6 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.952 0.513 19108 4778 1 6 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.426 -0.959 19108 4779 1 6 . 1 1 56 56 HIS H H 56 7.709 7.709 7.258 0.451 19108 4780 1 6 . 1 1 57 57 ASN N N 57 116.522 116.522 120.727 -4.205 19108 4781 1 6 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.450 -0.035 19108 4782 1 6 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.321 -0.137 19108 4783 1 6 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.837 -0.175 19108 4784 1 6 . 1 1 57 57 ASN H H 57 8.684 8.684 8.194 0.490 19108 4785 1 6 . 1 1 58 58 GLN N N 58 122.850 122.850 123.878 -1.028 19108 4786 1 6 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.497 -0.108 19108 4787 1 6 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.024 -0.171 19108 4788 1 6 . 1 1 58 58 GLN CB C 58 30.382 30.382 31.476 -1.093 19108 4789 1 6 . 1 1 58 58 GLN H H 58 9.099 9.099 8.276 0.823 19108 4790 1 6 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.799 -0.499 19108 4791 1 6 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.763 0.741 19108 4792 1 6 . 1 1 59 59 ALA CB C 59 19.421 19.421 20.642 -1.221 19108 4793 1 6 . 1 1 60 60 LYS N N 60 119.998 119.998 118.405 1.593 19108 4794 1 6 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.916 -0.140 19108 4795 1 6 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.906 -0.605 19108 4796 1 6 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.921 0.895 19108 4797 1 6 . 1 1 60 60 LYS H H 60 8.344 8.344 8.570 -0.226 19108 4798 1 6 . 1 1 61 61 ASN N N 61 119.688 119.688 112.670 7.018 19108 4799 1 6 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.300 0.155 19108 4800 1 6 . 1 1 61 61 ASN CA C 61 52.904 52.904 54.061 -1.157 19108 4801 1 6 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.963 1.574 19108 4802 1 6 . 1 1 61 61 ASN H H 61 8.643 8.643 8.355 0.288 19108 4803 1 6 . 1 1 62 62 LEU N N 62 124.761 124.761 117.483 7.278 19108 4804 1 6 . 1 1 62 62 LEU HA H 62 3.934 3.934 3.832 0.102 19108 4805 1 6 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.913 -0.669 19108 4806 1 6 . 1 1 62 62 LEU CB C 62 40.943 40.943 40.607 0.336 19108 4807 1 6 . 1 1 62 62 LEU H H 62 8.873 8.873 7.920 0.953 19108 4808 1 6 . 1 1 63 63 LEU N N 63 120.312 120.312 117.824 2.488 19108 4809 1 6 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.073 0.126 19108 4810 1 6 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.242 -0.165 19108 4811 1 6 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.657 -0.400 19108 4812 1 6 . 1 1 63 63 LEU H H 63 8.145 8.145 7.882 0.263 19108 4813 1 6 . 1 1 64 64 CYS N N 64 113.898 113.898 116.831 -2.933 19108 4814 1 6 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.264 -0.093 19108 4815 1 6 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.504 -1.720 19108 4816 1 6 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.178 0.540 19108 4817 1 6 . 1 1 64 64 CYS H H 64 7.376 7.376 7.978 -0.602 19108 4818 1 6 . 1 1 65 65 GLY N N 65 108.894 108.894 107.929 0.965 19108 4819 1 6 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.373 0.610 19108 4820 1 6 . 1 1 65 65 GLY H H 65 7.789 7.789 7.843 -0.054 19108 4821 1 6 . 1 1 66 66 PHE N N 66 118.711 118.711 117.568 1.143 19108 4822 1 6 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.563 -0.646 19108 4823 1 6 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.450 -0.510 19108 4824 1 6 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.300 0.968 19108 4825 1 6 . 1 1 66 66 PHE H H 66 7.699 7.699 7.510 0.189 19108 4826 1 6 . 1 1 67 67 TYR N N 67 124.623 124.623 121.661 2.962 19108 4827 1 6 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.192 0.108 19108 4828 1 6 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.869 -1.105 19108 4829 1 6 . 1 1 67 67 TYR CB C 67 38.153 38.153 37.941 0.213 19108 4830 1 6 . 1 1 67 67 TYR H H 67 8.568 8.568 7.646 0.922 19108 4831 1 6 . 1 1 69 69 ARG N N 69 121.427 121.427 121.494 -0.067 19108 4832 1 6 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.463 2.594 19108 4833 1 6 . 1 1 69 69 ARG CB C 69 32.296 32.296 31.773 0.523 19108 4834 1 6 . 1 1 69 69 ARG H H 69 8.313 8.313 7.882 0.431 19108 4835 1 6 . 1 1 70 70 HIS N N 70 128.351 128.351 123.670 4.681 19108 4836 1 6 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.453 0.329 19108 4837 1 6 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.080 0.636 19108 4838 1 6 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.839 -0.063 19108 4839 1 6 . 1 1 70 70 HIS H H 70 9.182 9.182 8.803 0.379 19108 4840 1 6 . 1 1 71 71 ALA N N 71 125.649 125.649 131.091 -5.442 19108 4841 1 6 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.932 -0.575 19108 4842 1 6 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.026 0.756 19108 4843 1 6 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.626 -0.616 19108 4844 1 6 . 1 1 71 71 ALA H H 71 8.968 8.968 9.006 -0.038 19108 4845 1 6 . 1 1 72 72 GLU N N 72 119.941 119.941 118.991 0.950 19108 4846 1 6 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.825 -0.848 19108 4847 1 6 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.219 1.737 19108 4848 1 6 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.637 -0.631 19108 4849 1 6 . 1 1 72 72 GLU H H 72 12.692 12.692 8.340 4.352 19108 4850 1 6 . 1 1 73 73 LEU N N 73 114.882 114.882 119.661 -4.779 19108 4851 1 6 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.896 -0.311 19108 4852 1 6 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.958 -1.297 19108 4853 1 6 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.441 -2.196 19108 4854 1 6 . 1 1 73 73 LEU H H 73 6.637 6.637 7.696 -1.059 19108 4855 1 6 . 1 1 74 74 ARG N N 74 117.799 117.799 118.176 -0.377 19108 4856 1 6 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.333 -0.291 19108 4857 1 6 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.176 -1.001 19108 4858 1 6 . 1 1 74 74 ARG H H 74 7.556 7.556 7.422 0.134 19108 4859 1 6 . 1 1 75 75 PHE N N 75 119.783 119.783 119.931 -0.148 19108 4860 1 6 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.091 -0.530 19108 4861 1 6 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.759 0.915 19108 4862 1 6 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.813 -0.775 19108 4863 1 6 . 1 1 75 75 PHE H H 75 8.233 8.233 7.908 0.325 19108 4864 1 6 . 1 1 76 76 LEU N N 76 119.526 119.526 119.302 0.224 19108 4865 1 6 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.578 -0.020 19108 4866 1 6 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.010 1.029 19108 4867 1 6 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.783 -2.767 19108 4868 1 6 . 1 1 76 76 LEU H H 76 7.629 7.629 8.385 -0.756 19108 4869 1 6 . 1 1 77 77 ASP N N 77 118.215 118.215 118.607 -0.392 19108 4870 1 6 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.450 -0.292 19108 4871 1 6 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.586 -0.186 19108 4872 1 6 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.282 -0.914 19108 4873 1 6 . 1 1 77 77 ASP H H 77 8.190 8.190 7.697 0.493 19108 4874 1 6 . 1 1 78 78 LEU N N 78 117.496 117.496 114.031 3.465 19108 4875 1 6 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.534 -0.244 19108 4876 1 6 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.191 -0.206 19108 4877 1 6 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.070 0.331 19108 4878 1 6 . 1 1 78 78 LEU H H 78 7.252 7.252 7.113 0.139 19108 4879 1 6 . 1 1 79 79 VAL N N 79 120.915 120.915 122.138 -1.223 19108 4880 1 6 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.476 -0.253 19108 4881 1 6 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.532 0.995 19108 4882 1 6 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.313 -0.193 19108 4883 1 6 . 1 1 79 79 VAL H H 79 7.179 7.179 7.115 0.064 19108 4884 1 6 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.357 -0.382 19108 4885 1 6 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.276 1.511 19108 4886 1 6 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.083 -1.275 19108 4887 1 6 . 1 1 81 81 SER N N 81 112.727 112.727 114.387 -1.660 19108 4888 1 6 . 1 1 81 81 SER HA H 81 4.314 4.314 4.307 0.007 19108 4889 1 6 . 1 1 81 81 SER CA C 81 60.618 60.618 60.322 0.296 19108 4890 1 6 . 1 1 81 81 SER CB C 81 63.450 63.450 62.596 0.854 19108 4891 1 6 . 1 1 81 81 SER H H 81 7.828 7.828 7.433 0.395 19108 4892 1 6 . 1 1 82 82 LEU N N 82 120.918 120.918 120.713 0.205 19108 4893 1 6 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.478 -0.604 19108 4894 1 6 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.356 1.136 19108 4895 1 6 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.233 -2.022 19108 4896 1 6 . 1 1 82 82 LEU H H 82 7.912 7.912 7.321 0.591 19108 4897 1 6 . 1 1 83 83 GLN N N 83 111.397 111.397 117.841 -6.444 19108 4898 1 6 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.920 -0.112 19108 4899 1 6 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.321 -0.155 19108 4900 1 6 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.010 -0.342 19108 4901 1 6 . 1 1 83 83 GLN H H 83 7.458 7.458 7.500 -0.042 19108 4902 1 6 . 1 1 84 84 LEU N N 84 118.520 118.520 121.242 -2.722 19108 4903 1 6 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.023 -0.304 19108 4904 1 6 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.814 -2.072 19108 4905 1 6 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.517 -3.272 19108 4906 1 6 . 1 1 84 84 LEU H H 84 8.736 8.736 8.019 0.717 19108 4907 1 6 . 1 1 85 85 ASP N N 85 126.187 126.187 123.872 2.315 19108 4908 1 6 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.038 -0.155 19108 4909 1 6 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.041 -0.695 19108 4910 1 6 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.087 0.861 19108 4911 1 6 . 1 1 85 85 ASP H H 85 8.415 8.415 8.417 -0.002 19108 4912 1 6 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.654 0.274 19108 4913 1 6 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.048 -0.410 19108 4914 1 6 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.366 -0.080 19108 4915 1 6 . 1 1 87 87 ALA N N 87 121.030 121.030 117.671 3.359 19108 4916 1 6 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.112 0.306 19108 4917 1 6 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.612 -1.440 19108 4918 1 6 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.848 0.500 19108 4919 1 6 . 1 1 87 87 ALA H H 87 8.504 8.504 7.855 0.649 19108 4920 1 6 . 1 1 88 88 GLN N N 88 119.601 119.601 113.786 5.815 19108 4921 1 6 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.513 0.009 19108 4922 1 6 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.243 -0.809 19108 4923 1 6 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.073 -3.024 19108 4924 1 6 . 1 1 88 88 GLN H H 88 8.125 8.125 7.512 0.613 19108 4925 1 6 . 1 1 89 89 ILE N N 89 118.195 118.195 118.582 -0.387 19108 4926 1 6 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.849 0.120 19108 4927 1 6 . 1 1 89 89 ILE CA C 89 59.541 59.541 58.752 0.789 19108 4928 1 6 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.076 1.176 19108 4929 1 6 . 1 1 89 89 ILE H H 89 8.099 8.099 8.471 -0.372 19108 4930 1 6 . 1 1 90 90 TYR N N 90 122.421 122.421 122.073 0.348 19108 4931 1 6 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.217 0.144 19108 4932 1 6 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.191 -1.151 19108 4933 1 6 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.690 -0.864 19108 4934 1 6 . 1 1 90 90 TYR H H 90 8.892 8.892 8.449 0.443 19108 4935 1 6 . 1 1 91 91 ARG N N 91 121.043 121.043 120.466 0.577 19108 4936 1 6 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.880 0.363 19108 4937 1 6 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.035 -1.500 19108 4938 1 6 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.975 -0.843 19108 4939 1 6 . 1 1 91 91 ARG H H 91 9.327 9.327 8.682 0.645 19108 4940 1 6 . 1 1 92 92 VAL N N 92 132.287 132.287 129.207 3.080 19108 4941 1 6 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.755 0.169 19108 4942 1 6 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.715 -0.810 19108 4943 1 6 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.589 0.264 19108 4944 1 6 . 1 1 92 92 VAL H H 92 9.668 9.668 8.921 0.747 19108 4945 1 6 . 1 1 93 93 THR N N 93 124.468 124.468 125.559 -1.091 19108 4946 1 6 . 1 1 93 93 THR HA H 93 5.264 5.264 4.637 0.627 19108 4947 1 6 . 1 1 93 93 THR CA C 93 61.616 61.616 63.197 -1.581 19108 4948 1 6 . 1 1 93 93 THR CB C 93 70.082 70.082 69.447 0.635 19108 4949 1 6 . 1 1 93 93 THR H H 93 9.381 9.381 9.273 0.108 19108 4950 1 6 . 1 1 94 94 TRP N N 94 124.491 124.491 128.201 -3.710 19108 4951 1 6 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.262 0.404 19108 4952 1 6 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.977 -2.772 19108 4953 1 6 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.201 2.466 19108 4954 1 6 . 1 1 94 94 TRP H H 94 9.071 9.071 9.149 -0.078 19108 4955 1 6 . 1 1 95 95 PHE N N 95 122.179 122.179 123.055 -0.876 19108 4956 1 6 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.029 0.641 19108 4957 1 6 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.410 -0.636 19108 4958 1 6 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.613 -1.164 19108 4959 1 6 . 1 1 95 95 PHE H H 95 9.578 9.578 8.954 0.624 19108 4960 1 6 . 1 1 96 96 ILE N N 96 125.072 125.072 121.789 3.283 19108 4961 1 6 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.128 0.845 19108 4962 1 6 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.901 -1.474 19108 4963 1 6 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.093 4.980 19108 4964 1 6 . 1 1 96 96 ILE H H 96 9.816 9.816 9.133 0.683 19108 4965 1 6 . 1 1 97 97 SER N N 97 124.020 124.020 118.534 5.486 19108 4966 1 6 . 1 1 97 97 SER HA H 97 3.623 3.623 4.855 -1.232 19108 4967 1 6 . 1 1 97 97 SER CA C 97 61.750 61.750 59.484 2.266 19108 4968 1 6 . 1 1 97 97 SER CB C 97 63.711 63.711 64.100 -0.389 19108 4969 1 6 . 1 1 97 97 SER H H 97 9.156 9.156 8.471 0.685 19108 4970 1 6 . 1 1 98 98 TRP N N 98 114.829 114.829 122.110 -7.281 19108 4971 1 6 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.194 0.145 19108 4972 1 6 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.638 -1.967 19108 4973 1 6 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.601 3.150 19108 4974 1 6 . 1 1 98 98 TRP H H 98 6.619 6.619 7.810 -1.191 19108 4975 1 6 . 1 1 99 99 SER N N 99 115.444 115.444 120.363 -4.919 19108 4976 1 6 . 1 1 99 99 SER CA C 99 58.045 58.045 57.999 0.046 19108 4977 1 6 . 1 1 99 99 SER CB C 99 61.927 61.927 62.448 -0.521 19108 4978 1 6 . 1 1 99 99 SER H H 99 8.590 8.590 8.229 0.360 19108 4979 1 6 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.093 -1.168 19108 4980 1 6 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.289 2.507 19108 4981 1 6 . 1 1 101 101 CYS N N 101 121.768 121.768 118.075 3.693 19108 4982 1 6 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.596 2.063 19108 4983 1 6 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.335 0.854 19108 4984 1 6 . 1 1 101 101 CYS H H 101 8.686 8.686 8.051 0.635 19108 4985 1 6 . 1 1 102 102 PHE N N 102 115.031 115.031 122.289 -7.258 19108 4986 1 6 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.538 1.422 19108 4987 1 6 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.294 0.863 19108 4988 1 6 . 1 1 102 102 PHE H H 102 9.318 9.318 8.689 0.629 19108 4989 1 6 . 1 1 103 103 SER N N 103 119.552 119.552 124.073 -4.521 19108 4990 1 6 . 1 1 103 103 SER HA H 103 3.713 3.713 4.128 -0.415 19108 4991 1 6 . 1 1 103 103 SER CA C 103 63.368 63.368 61.716 1.652 19108 4992 1 6 . 1 1 103 103 SER CB C 103 60.539 60.539 63.148 -2.609 19108 4993 1 6 . 1 1 103 103 SER H H 103 10.858 10.858 9.026 1.832 19108 4994 1 6 . 1 1 104 104 TRP N N 104 117.909 117.909 122.894 -4.985 19108 4995 1 6 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.742 -0.966 19108 4996 1 6 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.669 0.546 19108 4997 1 6 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.369 -1.483 19108 4998 1 6 . 1 1 104 104 TRP H H 104 7.880 7.880 8.655 -0.775 19108 4999 1 6 . 1 1 105 105 GLY N N 105 106.359 106.359 108.476 -2.117 19108 5000 1 6 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.968 -0.887 19108 5001 1 6 . 1 1 105 105 GLY H H 105 7.468 7.468 8.927 -1.459 19108 5002 1 6 . 1 1 106 106 CYS N N 106 120.359 120.359 121.223 -0.864 19108 5003 1 6 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.775 -0.916 19108 5004 1 6 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.176 4.926 19108 5005 1 6 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.098 2.620 19108 5006 1 6 . 1 1 106 106 CYS H H 106 7.366 7.366 8.046 -0.680 19108 5007 1 6 . 1 1 107 107 ALA N N 107 119.725 119.725 121.755 -2.030 19108 5008 1 6 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.168 -0.303 19108 5009 1 6 . 1 1 107 107 ALA CA C 107 56.934 56.934 54.995 1.940 19108 5010 1 6 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.143 0.300 19108 5011 1 6 . 1 1 107 107 ALA H H 107 8.719 8.719 8.419 0.300 19108 5012 1 6 . 1 1 108 108 GLY N N 108 103.829 103.829 107.187 -3.358 19108 5013 1 6 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.231 -0.337 19108 5014 1 6 . 1 1 108 108 GLY H H 108 8.555 8.555 8.697 -0.142 19108 5015 1 6 . 1 1 109 109 GLU N N 109 123.162 123.162 121.942 1.220 19108 5016 1 6 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.143 0.123 19108 5017 1 6 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.943 0.349 19108 5018 1 6 . 1 1 109 109 GLU CB C 109 30.382 30.382 28.922 1.460 19108 5019 1 6 . 1 1 109 109 GLU H H 109 8.023 8.023 7.922 0.101 19108 5020 1 6 . 1 1 110 110 VAL N N 110 121.866 121.866 120.650 1.216 19108 5021 1 6 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.771 -0.072 19108 5022 1 6 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.662 1.381 19108 5023 1 6 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.401 -0.395 19108 5024 1 6 . 1 1 110 110 VAL H H 110 8.942 8.942 7.608 1.334 19108 5025 1 6 . 1 1 111 111 ARG N N 111 120.587 120.587 121.272 -0.685 19108 5026 1 6 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.850 -0.064 19108 5027 1 6 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.815 0.266 19108 5028 1 6 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.014 -0.839 19108 5029 1 6 . 1 1 111 111 ARG H H 111 8.653 8.653 8.309 0.344 19108 5030 1 6 . 1 1 112 112 ALA N N 112 120.687 120.687 121.722 -1.035 19108 5031 1 6 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.013 0.121 19108 5032 1 6 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.084 0.334 19108 5033 1 6 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.074 -0.083 19108 5034 1 6 . 1 1 112 112 ALA H H 112 7.875 7.875 7.997 -0.122 19108 5035 1 6 . 1 1 113 113 PHE N N 113 118.950 118.950 117.768 1.182 19108 5036 1 6 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.153 0.184 19108 5037 1 6 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.494 -0.118 19108 5038 1 6 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.144 0.243 19108 5039 1 6 . 1 1 113 113 PHE H H 113 8.139 8.139 7.802 0.337 19108 5040 1 6 . 1 1 114 114 LEU N N 114 120.595 120.595 120.619 -0.024 19108 5041 1 6 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.689 0.111 19108 5042 1 6 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.527 -0.394 19108 5043 1 6 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.010 -1.101 19108 5044 1 6 . 1 1 114 114 LEU H H 114 8.639 8.639 7.786 0.853 19108 5045 1 6 . 1 1 115 115 GLN N N 115 117.666 117.666 115.919 1.747 19108 5046 1 6 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.863 0.160 19108 5047 1 6 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.450 -0.064 19108 5048 1 6 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.393 0.145 19108 5049 1 6 . 1 1 115 115 GLN H H 115 8.167 8.167 8.379 -0.212 19108 5050 1 6 . 1 1 116 116 GLU N N 116 115.380 115.380 117.123 -1.743 19108 5051 1 6 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.314 0.008 19108 5052 1 6 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.752 0.311 19108 5053 1 6 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.124 -0.409 19108 5054 1 6 . 1 1 116 116 GLU H H 116 7.448 7.448 7.521 -0.073 19108 5055 1 6 . 1 1 117 117 ASN N N 117 119.831 119.831 118.175 1.656 19108 5056 1 6 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.906 0.159 19108 5057 1 6 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.844 -0.659 19108 5058 1 6 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.190 0.056 19108 5059 1 6 . 1 1 117 117 ASN H H 117 7.632 7.632 8.234 -0.602 19108 5060 1 6 . 1 1 118 118 THR N N 118 111.041 111.041 113.749 -2.708 19108 5061 1 6 . 1 1 118 118 THR HA H 118 4.317 4.317 3.929 0.388 19108 5062 1 6 . 1 1 118 118 THR CA C 118 64.081 64.081 65.190 -1.109 19108 5063 1 6 . 1 1 118 118 THR CB C 118 68.767 68.767 68.029 0.737 19108 5064 1 6 . 1 1 118 118 THR H H 118 8.054 8.054 7.672 0.382 19108 5065 1 6 . 1 1 119 119 HIS N N 119 120.403 120.403 116.826 3.577 19108 5066 1 6 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.683 -0.394 19108 5067 1 6 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.653 0.948 19108 5068 1 6 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.003 1.317 19108 5069 1 6 . 1 1 119 119 HIS H H 119 9.248 9.248 8.310 0.938 19108 5070 1 6 . 1 1 120 120 VAL N N 120 120.001 120.001 118.639 1.362 19108 5071 1 6 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.607 -0.081 19108 5072 1 6 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.761 2.128 19108 5073 1 6 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.755 -1.760 19108 5074 1 6 . 1 1 120 120 VAL H H 120 7.379 7.379 7.524 -0.145 19108 5075 1 6 . 1 1 121 121 ARG N N 121 125.312 125.312 124.918 0.394 19108 5076 1 6 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.458 0.352 19108 5077 1 6 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.300 -1.232 19108 5078 1 6 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.043 -0.463 19108 5079 1 6 . 1 1 121 121 ARG H H 121 8.775 8.775 8.315 0.460 19108 5080 1 6 . 1 1 122 122 LEU N N 122 125.483 125.483 127.189 -1.706 19108 5081 1 6 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.669 0.491 19108 5082 1 6 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.405 -0.104 19108 5083 1 6 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.301 3.371 19108 5084 1 6 . 1 1 122 122 LEU H H 122 9.345 9.345 8.747 0.598 19108 5085 1 6 . 1 1 123 123 ARG N N 123 127.748 127.748 126.476 1.272 19108 5086 1 6 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.397 0.339 19108 5087 1 6 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.473 -0.306 19108 5088 1 6 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.358 0.453 19108 5089 1 6 . 1 1 123 123 ARG H H 123 9.053 9.053 8.180 0.873 19108 5090 1 6 . 1 1 124 124 ILE N N 124 123.665 123.665 123.652 0.013 19108 5091 1 6 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.134 0.308 19108 5092 1 6 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.377 0.382 19108 5093 1 6 . 1 1 124 124 ILE CB C 124 41.893 41.893 41.077 0.816 19108 5094 1 6 . 1 1 124 124 ILE H H 124 9.019 9.019 8.503 0.516 19108 5095 1 6 . 1 1 125 125 PHE N N 125 126.320 126.320 125.703 0.617 19108 5096 1 6 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.447 -0.282 19108 5097 1 6 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.612 0.302 19108 5098 1 6 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.399 -0.580 19108 5099 1 6 . 1 1 125 125 PHE H H 125 9.359 9.359 8.050 1.309 19108 5100 1 6 . 1 1 126 126 ALA N N 126 124.526 124.526 127.651 -3.125 19108 5101 1 6 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.065 0.751 19108 5102 1 6 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.610 -1.740 19108 5103 1 6 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.609 0.725 19108 5104 1 6 . 1 1 126 126 ALA H H 126 9.091 9.091 8.494 0.597 19108 5105 1 6 . 1 1 127 127 ALA N N 127 126.272 126.272 128.622 -2.350 19108 5106 1 6 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.482 0.269 19108 5107 1 6 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.588 1.880 19108 5108 1 6 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.807 -0.202 19108 5109 1 6 . 1 1 127 127 ALA H H 127 9.049 9.049 9.094 -0.045 19108 5110 1 6 . 1 1 128 128 ARG N N 128 108.570 108.570 118.065 -9.495 19108 5111 1 6 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.864 -0.450 19108 5112 1 6 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.289 3.917 19108 5113 1 6 . 1 1 128 128 ARG H H 128 6.741 6.741 7.425 -0.684 19108 5114 1 6 . 1 1 129 129 ILE N N 129 121.285 121.285 123.750 -2.465 19108 5115 1 6 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.267 0.024 19108 5116 1 6 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.889 -0.022 19108 5117 1 6 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.745 1.084 19108 5118 1 6 . 1 1 129 129 ILE H H 129 8.340 8.340 8.355 -0.015 19108 5119 1 6 . 1 1 130 130 TYR N N 130 130.143 130.143 128.772 1.371 19108 5120 1 6 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.487 0.848 19108 5121 1 6 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.587 -0.661 19108 5122 1 6 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.663 -2.500 19108 5123 1 6 . 1 1 130 130 TYR H H 130 8.870 8.870 8.751 0.119 19108 5124 1 6 . 1 1 131 131 ASP N N 131 123.662 123.662 123.064 0.598 19108 5125 1 6 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.971 -1.304 19108 5126 1 6 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.421 1.292 19108 5127 1 6 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.895 -2.994 19108 5128 1 6 . 1 1 131 131 ASP H H 131 8.123 8.123 7.781 0.342 19108 5129 1 6 . 1 1 132 132 TYR N N 132 116.852 116.852 118.627 -1.775 19108 5130 1 6 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.642 -0.727 19108 5131 1 6 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.255 0.212 19108 5132 1 6 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.697 -0.660 19108 5133 1 6 . 1 1 132 132 TYR H H 132 6.448 6.448 8.912 -2.464 19108 5134 1 6 . 1 1 133 133 ASP N N 133 116.930 116.930 117.259 -0.329 19108 5135 1 6 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.025 -1.860 19108 5136 1 6 . 1 1 133 133 ASP CB C 133 42.782 42.782 43.418 -0.636 19108 5137 1 6 . 1 1 133 133 ASP H H 133 7.005 7.005 7.646 -0.641 19108 5138 1 6 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.598 -0.495 19108 5139 1 6 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.525 0.176 19108 5140 1 6 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.393 0.697 19108 5141 1 6 . 1 1 135 135 LEU N N 135 120.252 120.252 121.960 -1.708 19108 5142 1 6 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.098 0.600 19108 5143 1 6 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.212 -2.831 19108 5144 1 6 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.864 -2.119 19108 5145 1 6 . 1 1 135 135 LEU H H 135 8.456 8.456 7.537 0.919 19108 5146 1 6 . 1 1 136 136 TYR N N 136 117.432 117.432 117.812 -0.380 19108 5147 1 6 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.105 -0.044 19108 5148 1 6 . 1 1 136 136 TYR CA C 136 61.058 61.058 58.968 2.091 19108 5149 1 6 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.880 0.700 19108 5150 1 6 . 1 1 136 136 TYR H H 136 8.028 8.028 8.000 0.028 19108 5151 1 6 . 1 1 137 137 LYS N N 137 122.000 122.000 119.896 2.104 19108 5152 1 6 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.627 0.672 19108 5153 1 6 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.697 -0.899 19108 5154 1 6 . 1 1 137 137 LYS H H 137 7.503 7.503 7.581 -0.078 19108 5155 1 6 . 1 1 138 138 GLU N N 138 121.833 121.833 119.060 2.773 19108 5156 1 6 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.205 0.636 19108 5157 1 6 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.383 -1.914 19108 5158 1 6 . 1 1 138 138 GLU H H 138 8.752 8.752 7.853 0.899 19108 5159 1 6 . 1 1 139 139 ALA N N 139 119.592 119.592 122.737 -3.145 19108 5160 1 6 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.047 -0.201 19108 5161 1 6 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.244 -0.104 19108 5162 1 6 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.247 2.008 19108 5163 1 6 . 1 1 139 139 ALA H H 139 7.682 7.682 7.667 0.015 19108 5164 1 6 . 1 1 140 140 LEU N N 140 116.268 116.268 119.702 -3.434 19108 5165 1 6 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.067 0.126 19108 5166 1 6 . 1 1 140 140 LEU CB C 140 41.095 41.095 40.678 0.417 19108 5167 1 6 . 1 1 140 140 LEU H H 140 7.175 7.175 7.986 -0.811 19108 5168 1 6 . 1 1 141 141 GLN N N 141 117.550 117.550 117.609 -0.059 19108 5169 1 6 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.997 -0.278 19108 5170 1 6 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.441 0.610 19108 5171 1 6 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.486 -0.892 19108 5172 1 6 . 1 1 141 141 GLN H H 141 8.322 8.322 7.683 0.639 19108 5173 1 6 . 1 1 142 142 MET N N 142 118.520 118.520 120.360 -1.840 19108 5174 1 6 . 1 1 142 142 MET HA H 142 4.135 4.135 4.042 0.093 19108 5175 1 6 . 1 1 142 142 MET CA C 142 59.051 59.051 58.550 0.501 19108 5176 1 6 . 1 1 142 142 MET CB C 142 33.170 33.170 32.360 0.810 19108 5177 1 6 . 1 1 142 142 MET H H 142 8.241 8.241 8.026 0.215 19108 5178 1 6 . 1 1 143 143 LEU N N 143 118.659 118.659 119.216 -0.557 19108 5179 1 6 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.907 0.385 19108 5180 1 6 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.671 0.444 19108 5181 1 6 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.513 -0.136 19108 5182 1 6 . 1 1 143 143 LEU H H 143 7.932 7.932 8.280 -0.348 19108 5183 1 6 . 1 1 144 144 ARG N N 144 121.294 121.294 120.014 1.280 19108 5184 1 6 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.829 0.597 19108 5185 1 6 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.449 -0.460 19108 5186 1 6 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.988 -1.879 19108 5187 1 6 . 1 1 144 144 ARG H H 144 7.968 7.968 7.783 0.185 19108 5188 1 6 . 1 1 145 145 ASP N N 145 122.553 122.553 117.655 4.898 19108 5189 1 6 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.476 -0.047 19108 5190 1 6 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.631 -0.053 19108 5191 1 6 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.711 -1.121 19108 5192 1 6 . 1 1 145 145 ASP H H 145 8.868 8.868 7.786 1.082 19108 5193 1 6 . 1 1 146 146 ALA N N 146 120.102 120.102 119.063 1.039 19108 5194 1 6 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.311 0.107 19108 5195 1 6 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.115 -0.081 19108 5196 1 6 . 1 1 146 146 ALA CB C 146 19.295 19.295 18.884 0.411 19108 5197 1 6 . 1 1 146 146 ALA H H 146 7.737 7.737 7.737 -0.000 19108 5198 1 6 . 1 1 147 147 GLY N N 147 105.039 105.039 106.955 -1.916 19108 5199 1 6 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.570 -0.706 19108 5200 1 6 . 1 1 147 147 GLY H H 147 7.966 7.966 7.471 0.495 19108 5201 1 6 . 1 1 148 148 ALA N N 148 124.181 124.181 121.928 2.253 19108 5202 1 6 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.194 0.495 19108 5203 1 6 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.752 -0.292 19108 5204 1 6 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.075 -1.596 19108 5205 1 6 . 1 1 148 148 ALA H H 148 8.051 8.051 7.175 0.876 19108 5206 1 6 . 1 1 149 149 GLN N N 149 122.185 122.185 120.982 1.203 19108 5207 1 6 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.334 0.105 19108 5208 1 6 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.631 -0.676 19108 5209 1 6 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.044 -0.623 19108 5210 1 6 . 1 1 149 149 GLN H H 149 7.953 7.953 8.040 -0.087 19108 5211 1 6 . 1 1 150 150 VAL N N 150 127.399 127.399 125.616 1.783 19108 5212 1 6 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.579 0.173 19108 5213 1 6 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.573 -0.134 19108 5214 1 6 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.684 -0.506 19108 5215 1 6 . 1 1 150 150 VAL H H 150 8.658 8.658 8.387 0.271 19108 5216 1 6 . 1 1 151 151 SER N N 151 120.616 120.616 122.000 -1.384 19108 5217 1 6 . 1 1 151 151 SER HA H 151 5.179 5.179 4.858 0.321 19108 5218 1 6 . 1 1 151 151 SER CA C 151 56.981 56.981 57.362 -0.381 19108 5219 1 6 . 1 1 151 151 SER CB C 151 66.538 66.538 66.314 0.225 19108 5220 1 6 . 1 1 151 151 SER H H 151 8.737 8.737 8.257 0.480 19108 5221 1 6 . 1 1 152 152 ILE N N 152 123.180 123.180 122.879 0.301 19108 5222 1 6 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.495 0.652 19108 5223 1 6 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.395 -3.877 19108 5224 1 6 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.282 -2.202 19108 5225 1 6 . 1 1 152 152 ILE H H 152 8.672 8.672 8.555 0.117 19108 5226 1 6 . 1 1 153 153 MET N N 153 123.477 123.477 129.354 -5.877 19108 5227 1 6 . 1 1 153 153 MET HA H 153 3.886 3.886 4.268 -0.382 19108 5228 1 6 . 1 1 153 153 MET CA C 153 59.053 59.053 56.647 2.406 19108 5229 1 6 . 1 1 153 153 MET CB C 153 34.793 34.793 33.089 1.704 19108 5230 1 6 . 1 1 153 153 MET H H 153 8.314 8.314 8.400 -0.086 19108 5231 1 6 . 1 1 154 154 THR N N 154 117.621 117.621 116.872 0.749 19108 5232 1 6 . 1 1 154 154 THR HA H 154 4.951 4.951 4.698 0.253 19108 5233 1 6 . 1 1 154 154 THR CA C 154 60.436 60.436 59.713 0.723 19108 5234 1 6 . 1 1 154 154 THR CB C 154 72.370 72.370 71.087 1.283 19108 5235 1 6 . 1 1 154 154 THR H H 154 9.630 9.630 7.964 1.666 19108 5236 1 6 . 1 1 155 155 TYR N N 155 121.751 121.751 121.709 0.042 19108 5237 1 6 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.193 -0.094 19108 5238 1 6 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.640 2.799 19108 5239 1 6 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.321 0.965 19108 5240 1 6 . 1 1 155 155 TYR H H 155 9.769 9.769 8.821 0.948 19108 5241 1 6 . 1 1 156 156 ASP N N 156 115.555 115.555 118.794 -3.239 19108 5242 1 6 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.651 0.457 19108 5243 1 6 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.359 0.901 19108 5244 1 6 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.344 0.274 19108 5245 1 6 . 1 1 156 156 ASP H H 156 8.230 8.230 8.134 0.096 19108 5246 1 6 . 1 1 157 157 GLU N N 157 117.678 117.678 119.486 -1.808 19108 5247 1 6 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.974 -0.104 19108 5248 1 6 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.246 1.261 19108 5249 1 6 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.064 1.984 19108 5250 1 6 . 1 1 157 157 GLU H H 157 7.470 7.470 7.500 -0.030 19108 5251 1 6 . 1 1 158 158 PHE N N 158 119.869 119.869 120.014 -0.145 19108 5252 1 6 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.782 0.047 19108 5253 1 6 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.442 1.334 19108 5254 1 6 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.280 1.627 19108 5255 1 6 . 1 1 158 158 PHE H H 158 8.077 8.077 7.755 0.322 19108 5256 1 6 . 1 1 159 159 LYS N N 159 118.859 118.859 119.436 -0.577 19108 5257 1 6 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.762 0.155 19108 5258 1 6 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.942 -0.711 19108 5259 1 6 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.275 -0.312 19108 5260 1 6 . 1 1 159 159 LYS H H 159 8.273 8.273 7.850 0.423 19108 5261 1 6 . 1 1 160 160 HIS N N 160 115.889 115.889 118.238 -2.349 19108 5262 1 6 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.282 -0.123 19108 5263 1 6 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.058 0.923 19108 5264 1 6 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.420 -1.490 19108 5265 1 6 . 1 1 160 160 HIS H H 160 7.695 7.695 7.641 0.054 19108 5266 1 6 . 1 1 161 161 CYS N N 161 118.188 118.188 119.062 -0.874 19108 5267 1 6 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.188 0.601 19108 5268 1 6 . 1 1 161 161 CYS CA C 161 63.794 63.794 64.513 -0.719 19108 5269 1 6 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.724 1.162 19108 5270 1 6 . 1 1 161 161 CYS H H 161 7.885 7.885 8.064 -0.179 19108 5271 1 6 . 1 1 162 162 TRP N N 162 122.741 122.741 121.188 1.553 19108 5272 1 6 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.302 0.462 19108 5273 1 6 . 1 1 162 162 TRP CA C 162 59.717 59.717 60.362 -0.645 19108 5274 1 6 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.578 0.014 19108 5275 1 6 . 1 1 162 162 TRP H H 162 8.040 8.040 8.449 -0.409 19108 5276 1 6 . 1 1 163 163 ASP N N 163 113.796 113.796 118.252 -4.456 19108 5277 1 6 . 1 1 163 163 ASP HA H 163 4.126 4.126 4.503 -0.377 19108 5278 1 6 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.165 0.764 19108 5279 1 6 . 1 1 163 163 ASP CB C 163 40.535 40.535 41.648 -1.113 19108 5280 1 6 . 1 1 163 163 ASP H H 163 8.319 8.319 7.492 0.827 19108 5281 1 6 . 1 1 164 164 THR N N 164 112.008 112.008 114.451 -2.443 19108 5282 1 6 . 1 1 164 164 THR HA H 164 3.803 3.803 4.027 -0.224 19108 5283 1 6 . 1 1 164 164 THR CA C 164 65.164 65.164 64.120 1.044 19108 5284 1 6 . 1 1 164 164 THR CB C 164 70.171 70.171 69.248 0.923 19108 5285 1 6 . 1 1 164 164 THR H H 164 7.494 7.494 7.812 -0.318 19108 5286 1 6 . 1 1 165 165 PHE N N 165 115.079 115.079 118.767 -3.688 19108 5287 1 6 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.586 -0.051 19108 5288 1 6 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.459 0.510 19108 5289 1 6 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.823 0.545 19108 5290 1 6 . 1 1 165 165 PHE H H 165 8.235 8.235 7.836 0.399 19108 5291 1 6 . 1 1 166 166 VAL N N 166 118.432 118.432 119.667 -1.235 19108 5292 1 6 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.384 -0.359 19108 5293 1 6 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.100 0.901 19108 5294 1 6 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.056 -2.701 19108 5295 1 6 . 1 1 166 166 VAL H H 166 6.838 6.838 6.886 -0.048 19108 5296 1 6 . 1 1 167 167 ASP N N 167 126.263 126.263 127.635 -1.372 19108 5297 1 6 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.398 -0.550 19108 5298 1 6 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.870 -2.240 19108 5299 1 6 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.035 -0.955 19108 5300 1 6 . 1 1 167 167 ASP H H 167 8.498 8.498 8.329 0.169 19108 5301 1 6 . 1 1 168 168 HIS N N 168 119.890 119.890 116.127 3.763 19108 5302 1 6 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.470 -0.124 19108 5303 1 6 . 1 1 168 168 HIS CA C 168 56.575 56.575 56.088 0.487 19108 5304 1 6 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.300 2.162 19108 5305 1 6 . 1 1 168 168 HIS H H 168 6.977 6.977 7.252 -0.275 19108 5306 1 6 . 1 1 169 169 GLN N N 169 119.254 119.254 119.110 0.144 19108 5307 1 6 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.060 -0.337 19108 5308 1 6 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.984 -0.214 19108 5309 1 6 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.673 -0.152 19108 5310 1 6 . 1 1 169 169 GLN H H 169 9.126 9.126 7.746 1.380 19108 5311 1 6 . 1 1 170 170 GLY N N 170 111.911 111.911 106.248 5.663 19108 5312 1 6 . 1 1 170 170 GLY CA C 170 44.824 44.824 45.237 -0.413 19108 5313 1 6 . 1 1 170 170 GLY H H 170 11.556 11.556 8.935 2.621 19108 5314 1 6 . 1 1 171 171 CYS N N 171 123.390 123.390 123.001 0.389 19108 5315 1 6 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.976 -0.260 19108 5316 1 6 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.168 2.617 19108 5317 1 6 . 1 1 171 171 CYS CB C 171 27.904 27.904 27.410 0.494 19108 5318 1 6 . 1 1 171 171 CYS H H 171 8.044 8.044 8.198 -0.154 19108 5319 1 6 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.867 -0.249 19108 5320 1 6 . 1 1 172 172 PRO CA C 172 61.858 61.858 61.790 0.068 19108 5321 1 6 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.573 -0.044 19108 5322 1 6 . 1 1 173 173 PHE N N 173 121.101 121.101 120.414 0.687 19108 5323 1 6 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.030 -0.374 19108 5324 1 6 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.559 -2.018 19108 5325 1 6 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.337 -0.591 19108 5326 1 6 . 1 1 173 173 PHE H H 173 8.842 8.842 8.694 0.148 19108 5327 1 6 . 1 1 174 174 GLN N N 174 129.493 129.493 126.560 2.933 19108 5328 1 6 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.278 0.039 19108 5329 1 6 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.064 -1.269 19108 5330 1 6 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.022 0.075 19108 5331 1 6 . 1 1 174 174 GLN H H 174 7.250 7.250 7.296 -0.046 19108 5332 1 6 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.559 -0.645 19108 5333 1 6 . 1 1 175 175 PRO CA C 175 62.423 62.423 63.129 -0.706 19108 5334 1 6 . 1 1 176 176 TRP N N 176 118.133 118.133 124.039 -5.906 19108 5335 1 6 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.812 -0.179 19108 5336 1 6 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.761 0.401 19108 5337 1 6 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.833 -0.944 19108 5338 1 6 . 1 1 176 176 TRP H H 176 5.591 5.591 7.130 -1.540 19108 5339 1 6 . 1 1 177 177 ASP N N 177 121.814 121.814 121.924 -0.110 19108 5340 1 6 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.427 -0.030 19108 5341 1 6 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.826 0.346 19108 5342 1 6 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.877 0.798 19108 5343 1 6 . 1 1 177 177 ASP H H 177 8.848 8.848 8.536 0.312 19108 5344 1 6 . 1 1 178 178 GLY N N 178 111.875 111.875 112.047 -0.172 19108 5345 1 6 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.300 0.366 19108 5346 1 6 . 1 1 178 178 GLY H H 178 8.987 8.987 8.543 0.444 19108 5347 1 6 . 1 1 179 179 LEU N N 179 121.470 121.470 123.377 -1.907 19108 5348 1 6 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.108 0.380 19108 5349 1 6 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.095 2.687 19108 5350 1 6 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.672 0.557 19108 5351 1 6 . 1 1 179 179 LEU H H 179 7.148 7.148 7.870 -0.722 19108 5352 1 6 . 1 1 180 180 ASP N N 180 119.476 119.476 119.584 -0.108 19108 5353 1 6 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.381 0.111 19108 5354 1 6 . 1 1 180 180 ASP CA C 180 57.939 57.939 56.684 1.255 19108 5355 1 6 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.391 1.322 19108 5356 1 6 . 1 1 180 180 ASP H H 180 8.874 8.874 8.494 0.380 19108 5357 1 6 . 1 1 181 181 GLU N N 181 122.379 122.379 120.268 2.111 19108 5358 1 6 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.975 0.037 19108 5359 1 6 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.625 0.344 19108 5360 1 6 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.474 -0.548 19108 5361 1 6 . 1 1 181 181 GLU H H 181 8.712 8.712 8.518 0.194 19108 5362 1 6 . 1 1 182 182 HIS N N 182 118.572 118.572 117.671 0.901 19108 5363 1 6 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.312 0.442 19108 5364 1 6 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.789 -0.760 19108 5365 1 6 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.796 -0.948 19108 5366 1 6 . 1 1 182 182 HIS H H 182 8.854 8.854 8.580 0.274 19108 5367 1 6 . 1 1 183 183 SER N N 183 116.329 116.329 114.443 1.886 19108 5368 1 6 . 1 1 183 183 SER HA H 183 4.554 4.554 4.133 0.421 19108 5369 1 6 . 1 1 183 183 SER CA C 183 63.604 63.604 62.026 1.577 19108 5370 1 6 . 1 1 183 183 SER CB C 183 65.216 65.216 62.696 2.520 19108 5371 1 6 . 1 1 183 183 SER H H 183 8.665 8.665 7.974 0.691 19108 5372 1 6 . 1 1 184 184 GLN N N 184 122.215 122.215 122.327 -0.112 19108 5373 1 6 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.147 0.100 19108 5374 1 6 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.728 0.232 19108 5375 1 6 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.672 0.263 19108 5376 1 6 . 1 1 184 184 GLN H H 184 8.714 8.714 8.207 0.507 19108 5377 1 6 . 1 1 185 185 ALA N N 185 124.432 124.432 122.921 1.511 19108 5378 1 6 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.085 0.199 19108 5379 1 6 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.991 0.478 19108 5380 1 6 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.091 0.283 19108 5381 1 6 . 1 1 185 185 ALA H H 185 8.258 8.258 7.623 0.635 19108 5382 1 6 . 1 1 186 186 LEU N N 186 119.941 119.941 118.454 1.487 19108 5383 1 6 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.856 0.356 19108 5384 1 6 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.861 0.354 19108 5385 1 6 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.492 1.272 19108 5386 1 6 . 1 1 186 186 LEU H H 186 8.953 8.953 7.918 1.035 19108 5387 1 6 . 1 1 187 187 SER N N 187 116.987 116.987 114.196 2.791 19108 5388 1 6 . 1 1 187 187 SER HA H 187 4.039 4.039 4.166 -0.127 19108 5389 1 6 . 1 1 187 187 SER CA C 187 63.302 63.302 61.734 1.567 19108 5390 1 6 . 1 1 187 187 SER CB C 187 62.760 62.760 62.216 0.544 19108 5391 1 6 . 1 1 187 187 SER H H 187 8.935 8.935 8.570 0.365 19108 5392 1 6 . 1 1 188 188 GLY N N 188 110.215 110.215 109.771 0.444 19108 5393 1 6 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.438 0.716 19108 5394 1 6 . 1 1 188 188 GLY H H 188 8.228 8.228 7.981 0.247 19108 5395 1 6 . 1 1 189 189 ARG N N 189 122.994 122.994 122.110 0.884 19108 5396 1 6 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.032 0.205 19108 5397 1 6 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.227 0.332 19108 5398 1 6 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.023 0.373 19108 5399 1 6 . 1 1 189 189 ARG H H 189 7.838 7.838 7.531 0.307 19108 5400 1 6 . 1 1 190 190 LEU N N 190 119.765 119.765 119.412 0.353 19108 5401 1 6 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.148 0.090 19108 5402 1 6 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.031 0.188 19108 5403 1 6 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.285 -0.043 19108 5404 1 6 . 1 1 190 190 LEU H H 190 8.791 8.791 7.903 0.888 19108 5405 1 6 . 1 1 191 191 ARG N N 191 118.427 118.427 118.106 0.321 19108 5406 1 6 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.923 0.120 19108 5407 1 6 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.943 0.839 19108 5408 1 6 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.186 0.005 19108 5409 1 6 . 1 1 191 191 ARG H H 191 8.305 8.305 7.992 0.313 19108 5410 1 6 . 1 1 192 192 ALA N N 192 119.414 119.414 121.615 -2.201 19108 5411 1 6 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.253 -0.036 19108 5412 1 6 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.260 0.456 19108 5413 1 6 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.803 -0.638 19108 5414 1 6 . 1 1 192 192 ALA H H 192 7.414 7.414 7.647 -0.233 19108 5415 1 6 . 1 1 193 193 ILE N N 193 118.949 118.949 118.386 0.563 19108 5416 1 6 . 1 1 193 193 ILE HA H 193 3.770 3.770 4.114 -0.344 19108 5417 1 6 . 1 1 193 193 ILE CA C 193 64.838 64.838 62.701 2.137 19108 5418 1 6 . 1 1 193 193 ILE CB C 193 39.446 39.446 39.140 0.306 19108 5419 1 6 . 1 1 193 193 ILE H H 193 7.896 7.896 7.726 0.170 19108 5420 1 6 . 1 1 194 194 LEU N N 194 116.435 116.435 119.962 -3.527 19108 5421 1 6 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.441 -0.168 19108 5422 1 6 . 1 1 194 194 LEU CA C 194 55.713 55.713 53.688 2.025 19108 5423 1 6 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.512 -1.041 19108 5424 1 6 . 1 1 194 194 LEU H H 194 8.296 8.296 8.097 0.199 19108 5425 1 6 . 1 1 195 195 GLN N N 195 118.580 118.580 118.396 0.184 19108 5426 1 6 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.977 0.358 19108 5427 1 6 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.256 -1.839 19108 5428 1 6 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.677 -0.079 19108 5429 1 6 . 1 1 195 195 GLN H H 195 7.921 7.921 7.968 -0.047 19108 5430 1 6 . 1 1 196 196 ASN N N 196 118.941 118.941 118.097 0.844 19108 5431 1 6 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.462 0.240 19108 5432 1 6 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.828 -0.378 19108 5433 1 6 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.598 0.227 19108 5434 1 6 . 1 1 196 196 ASN H H 196 8.078 8.078 8.439 -0.361 19108 5435 1 6 . 1 1 197 197 GLN N N 197 120.984 120.984 122.442 -1.458 19108 5436 1 6 . 1 1 197 197 GLN HA H 197 4.356 4.356 3.999 0.357 19108 5437 1 6 . 1 1 197 197 GLN CA C 197 56.166 56.166 57.247 -1.081 19108 5438 1 6 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.244 1.252 19108 5439 1 6 . 1 1 197 197 GLN H H 197 8.526 8.526 8.249 0.277 19108 5440 1 6 . 1 1 198 198 GLY N N 198 109.565 109.565 105.249 4.316 19108 5441 1 6 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.497 -0.113 19108 5442 1 6 . 1 1 198 198 GLY H H 198 8.467 8.467 8.693 -0.226 19108 5443 1 7 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.056 0.318 19108 5444 1 7 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.607 -0.259 19108 5445 1 7 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.221 0.232 19108 5446 1 7 . 1 1 3 3 ALA N N 3 125.932 125.932 126.742 -0.810 19108 5447 1 7 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.392 -0.042 19108 5448 1 7 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.599 -0.192 19108 5449 1 7 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.746 -0.166 19108 5450 1 7 . 1 1 3 3 ALA H H 3 8.526 8.526 8.377 0.149 19108 5451 1 7 . 1 1 4 4 SER N N 4 116.729 116.729 113.559 3.170 19108 5452 1 7 . 1 1 4 4 SER HA H 4 4.766 4.766 4.690 0.076 19108 5453 1 7 . 1 1 4 4 SER CA C 4 56.283 56.283 57.028 -0.745 19108 5454 1 7 . 1 1 4 4 SER CB C 4 63.278 63.278 63.078 0.200 19108 5455 1 7 . 1 1 4 4 SER H H 4 8.397 8.397 7.949 0.448 19108 5456 1 7 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.212 0.234 19108 5457 1 7 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.629 -0.323 19108 5458 1 7 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.753 0.344 19108 5459 1 7 . 1 1 6 6 ALA N N 6 124.236 124.236 120.510 3.726 19108 5460 1 7 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.062 0.271 19108 5461 1 7 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.120 0.443 19108 5462 1 7 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.413 0.921 19108 5463 1 7 . 1 1 6 6 ALA H H 6 8.411 8.411 8.306 0.105 19108 5464 1 7 . 1 1 7 7 SER N N 7 114.497 114.497 118.228 -3.731 19108 5465 1 7 . 1 1 7 7 SER HA H 7 4.475 4.475 4.337 0.138 19108 5466 1 7 . 1 1 7 7 SER CA C 7 58.258 58.258 59.184 -0.926 19108 5467 1 7 . 1 1 7 7 SER CB C 7 64.174 64.174 63.838 0.336 19108 5468 1 7 . 1 1 7 7 SER H H 7 8.195 8.195 8.276 -0.081 19108 5469 1 7 . 1 1 8 8 GLY N N 8 110.497 110.497 108.839 1.658 19108 5470 1 7 . 1 1 8 8 GLY CA C 8 44.846 44.846 43.865 0.981 19108 5471 1 7 . 1 1 8 8 GLY H H 8 8.226 8.226 7.866 0.360 19108 5472 1 7 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.485 -0.036 19108 5473 1 7 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.568 0.866 19108 5474 1 7 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.500 -0.307 19108 5475 1 7 . 1 1 10 10 ARG N N 10 120.534 120.534 125.780 -5.246 19108 5476 1 7 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.402 -0.061 19108 5477 1 7 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.465 0.550 19108 5478 1 7 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.387 0.422 19108 5479 1 7 . 1 1 10 10 ARG H H 10 8.469 8.469 8.404 0.065 19108 5480 1 7 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.290 0.535 19108 5481 1 7 . 1 1 11 11 HIS CA C 11 55.461 55.461 56.544 -1.083 19108 5482 1 7 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.217 -0.026 19108 5483 1 7 . 1 1 12 12 LEU N N 12 122.284 122.284 123.325 -1.041 19108 5484 1 7 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.117 0.492 19108 5485 1 7 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.038 1.992 19108 5486 1 7 . 1 1 12 12 LEU H H 12 8.250 8.250 7.959 0.291 19108 5487 1 7 . 1 1 13 13 MET N N 13 121.493 121.493 117.040 4.453 19108 5488 1 7 . 1 1 13 13 MET HA H 13 4.038 4.038 4.546 -0.508 19108 5489 1 7 . 1 1 13 13 MET CA C 13 54.449 54.449 55.185 -0.736 19108 5490 1 7 . 1 1 13 13 MET CB C 13 35.015 35.015 33.013 2.002 19108 5491 1 7 . 1 1 13 13 MET H H 13 8.955 8.955 7.942 1.012 19108 5492 1 7 . 1 1 14 14 ASP N N 14 127.113 127.113 119.005 8.108 19108 5493 1 7 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.822 -0.722 19108 5494 1 7 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.362 0.094 19108 5495 1 7 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.315 2.195 19108 5496 1 7 . 1 1 14 14 ASP H H 14 8.514 8.514 8.698 -0.184 19108 5497 1 7 . 1 1 15 15 PRO HA H 15 3.853 3.853 3.943 -0.090 19108 5498 1 7 . 1 1 15 15 PRO CA C 15 66.654 66.654 65.394 1.260 19108 5499 1 7 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.964 -0.313 19108 5500 1 7 . 1 1 16 16 HIS N N 16 115.776 115.776 116.440 -0.664 19108 5501 1 7 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.392 -0.114 19108 5502 1 7 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.926 -1.008 19108 5503 1 7 . 1 1 16 16 HIS CB C 16 29.208 29.208 30.164 -0.956 19108 5504 1 7 . 1 1 16 16 HIS H H 16 8.591 8.591 8.090 0.501 19108 5505 1 7 . 1 1 17 17 ILE N N 17 122.675 122.675 118.563 4.112 19108 5506 1 7 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.707 -0.223 19108 5507 1 7 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.116 -0.890 19108 5508 1 7 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.093 -0.996 19108 5509 1 7 . 1 1 17 17 ILE H H 17 7.558 7.558 7.885 -0.327 19108 5510 1 7 . 1 1 18 18 PHE N N 18 120.513 120.513 121.693 -1.180 19108 5511 1 7 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.224 -0.221 19108 5512 1 7 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.310 0.494 19108 5513 1 7 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.776 -0.136 19108 5514 1 7 . 1 1 18 18 PHE H H 18 7.831 7.831 7.673 0.158 19108 5515 1 7 . 1 1 19 19 THR N N 19 114.555 114.555 115.140 -0.585 19108 5516 1 7 . 1 1 19 19 THR HA H 19 3.657 3.657 3.977 -0.320 19108 5517 1 7 . 1 1 19 19 THR CA C 19 66.485 66.485 66.035 0.450 19108 5518 1 7 . 1 1 19 19 THR CB C 19 68.345 68.345 68.745 -0.399 19108 5519 1 7 . 1 1 19 19 THR H H 19 9.036 9.036 8.025 1.011 19108 5520 1 7 . 1 1 20 20 SER N N 20 113.030 113.030 116.403 -3.373 19108 5521 1 7 . 1 1 20 20 SER HA H 20 4.062 4.062 4.469 -0.407 19108 5522 1 7 . 1 1 20 20 SER CA C 20 60.610 60.610 60.745 -0.135 19108 5523 1 7 . 1 1 20 20 SER CB C 20 63.843 63.843 62.995 0.848 19108 5524 1 7 . 1 1 20 20 SER H H 20 7.809 7.809 7.974 -0.165 19108 5525 1 7 . 1 1 21 21 ASN N N 21 115.629 115.629 120.391 -4.762 19108 5526 1 7 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.379 0.032 19108 5527 1 7 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.453 1.536 19108 5528 1 7 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.456 3.124 19108 5529 1 7 . 1 1 21 21 ASN H H 21 7.362 7.362 8.047 -0.685 19108 5530 1 7 . 1 1 22 22 PHE N N 22 117.773 117.773 113.495 4.278 19108 5531 1 7 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.707 -0.434 19108 5532 1 7 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.215 -0.756 19108 5533 1 7 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.332 -1.502 19108 5534 1 7 . 1 1 22 22 PHE H H 22 8.296 8.296 7.582 0.714 19108 5535 1 7 . 1 1 23 23 ASN N N 23 115.026 115.026 118.918 -3.892 19108 5536 1 7 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.502 0.027 19108 5537 1 7 . 1 1 23 23 ASN CA C 23 53.642 53.642 54.003 -0.361 19108 5538 1 7 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.903 -2.280 19108 5539 1 7 . 1 1 23 23 ASN H H 23 6.097 6.097 7.801 -1.704 19108 5540 1 7 . 1 1 24 24 ASN N N 24 122.900 122.900 115.974 6.926 19108 5541 1 7 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.467 -0.034 19108 5542 1 7 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.045 -0.772 19108 5543 1 7 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.358 -0.466 19108 5544 1 7 . 1 1 24 24 ASN H H 24 7.083 7.083 7.646 -0.563 19108 5545 1 7 . 1 1 25 25 GLY N N 25 105.587 105.587 108.082 -2.495 19108 5546 1 7 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.647 -0.782 19108 5547 1 7 . 1 1 25 25 GLY H H 25 8.520 8.520 8.330 0.190 19108 5548 1 7 . 1 1 26 26 ILE N N 26 120.182 120.182 120.033 0.149 19108 5549 1 7 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.179 -0.005 19108 5550 1 7 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.467 1.976 19108 5551 1 7 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.794 -0.279 19108 5552 1 7 . 1 1 26 26 ILE H H 26 6.944 6.944 7.698 -0.754 19108 5553 1 7 . 1 1 27 27 GLY N N 27 111.665 111.665 106.529 5.136 19108 5554 1 7 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.034 0.285 19108 5555 1 7 . 1 1 27 27 GLY H H 27 8.457 8.457 8.320 0.137 19108 5556 1 7 . 1 1 28 28 ARG N N 28 117.565 117.565 119.042 -1.477 19108 5557 1 7 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.586 -1.021 19108 5558 1 7 . 1 1 28 28 ARG H H 28 6.741 6.741 7.799 -1.058 19108 5559 1 7 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.785 1.218 19108 5560 1 7 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.324 -0.280 19108 5561 1 7 . 1 1 29 29 HIS H H 29 8.636 8.636 8.407 0.229 19108 5562 1 7 . 1 1 30 30 LYS N N 30 119.344 119.344 124.157 -4.813 19108 5563 1 7 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.328 0.093 19108 5564 1 7 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.180 0.684 19108 5565 1 7 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.316 1.875 19108 5566 1 7 . 1 1 30 30 LYS H H 30 7.870 7.870 7.729 0.141 19108 5567 1 7 . 1 1 31 31 THR N N 31 118.233 118.233 112.613 5.620 19108 5568 1 7 . 1 1 31 31 THR HA H 31 4.125 4.125 3.694 0.431 19108 5569 1 7 . 1 1 31 31 THR CA C 31 63.175 63.175 62.656 0.519 19108 5570 1 7 . 1 1 31 31 THR H H 31 8.436 8.436 7.106 1.330 19108 5571 1 7 . 1 1 32 32 TYR N N 32 124.026 124.026 120.133 3.893 19108 5572 1 7 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.724 0.212 19108 5573 1 7 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.625 -0.124 19108 5574 1 7 . 1 1 32 32 TYR CB C 32 44.404 44.404 43.506 0.898 19108 5575 1 7 . 1 1 32 32 TYR H H 32 8.244 8.244 8.506 -0.262 19108 5576 1 7 . 1 1 33 33 LEU N N 33 125.428 125.428 123.297 2.131 19108 5577 1 7 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.518 -0.439 19108 5578 1 7 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.330 1.508 19108 5579 1 7 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.885 1.099 19108 5580 1 7 . 1 1 33 33 LEU H H 33 9.232 9.232 8.307 0.925 19108 5581 1 7 . 1 1 34 34 CYS N N 34 125.975 125.975 125.126 0.849 19108 5582 1 7 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.016 -0.010 19108 5583 1 7 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.193 0.952 19108 5584 1 7 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.317 0.985 19108 5585 1 7 . 1 1 34 34 CYS H H 34 9.640 9.640 9.033 0.607 19108 5586 1 7 . 1 1 35 35 TYR N N 35 121.183 121.183 123.034 -1.851 19108 5587 1 7 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.639 0.849 19108 5588 1 7 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.005 -0.223 19108 5589 1 7 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.757 2.333 19108 5590 1 7 . 1 1 35 35 TYR H H 35 9.094 9.094 8.702 0.392 19108 5591 1 7 . 1 1 36 36 GLU N N 36 115.538 115.538 121.718 -6.180 19108 5592 1 7 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.797 0.638 19108 5593 1 7 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.983 0.408 19108 5594 1 7 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.582 -0.038 19108 5595 1 7 . 1 1 36 36 GLU H H 36 8.977 8.977 8.536 0.441 19108 5596 1 7 . 1 1 37 37 VAL N N 37 121.600 121.600 121.484 0.116 19108 5597 1 7 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.879 0.280 19108 5598 1 7 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.554 0.494 19108 5599 1 7 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.664 0.406 19108 5600 1 7 . 1 1 37 37 VAL H H 37 9.271 9.271 9.048 0.223 19108 5601 1 7 . 1 1 38 38 GLU N N 38 125.227 125.227 125.386 -0.159 19108 5602 1 7 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.155 0.063 19108 5603 1 7 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.464 -0.212 19108 5604 1 7 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.421 1.506 19108 5605 1 7 . 1 1 38 38 GLU H H 38 9.114 9.114 8.513 0.601 19108 5606 1 7 . 1 1 39 39 ARG N N 39 124.872 124.872 125.075 -0.203 19108 5607 1 7 . 1 1 39 39 ARG HA H 39 5.365 5.365 3.983 1.381 19108 5608 1 7 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.669 -0.422 19108 5609 1 7 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.323 1.242 19108 5610 1 7 . 1 1 39 39 ARG H H 39 9.215 9.215 8.210 1.005 19108 5611 1 7 . 1 1 40 40 LEU N N 40 126.510 126.510 128.049 -1.539 19108 5612 1 7 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.297 0.456 19108 5613 1 7 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.980 -0.657 19108 5614 1 7 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.810 -1.967 19108 5615 1 7 . 1 1 40 40 LEU H H 40 8.659 8.659 7.618 1.041 19108 5616 1 7 . 1 1 41 41 ASP N N 41 124.410 124.410 124.361 0.049 19108 5617 1 7 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.799 -0.006 19108 5618 1 7 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.667 -0.449 19108 5619 1 7 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.964 -1.231 19108 5620 1 7 . 1 1 41 41 ASP H H 41 8.575 8.575 8.099 0.476 19108 5621 1 7 . 1 1 42 42 ASN N N 42 123.319 123.319 122.911 0.408 19108 5622 1 7 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.343 0.077 19108 5623 1 7 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.196 0.977 19108 5624 1 7 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.062 -0.215 19108 5625 1 7 . 1 1 42 42 ASN H H 42 9.048 9.048 8.918 0.130 19108 5626 1 7 . 1 1 43 43 GLY N N 43 106.044 106.044 102.811 3.233 19108 5627 1 7 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.675 -0.280 19108 5628 1 7 . 1 1 43 43 GLY H H 43 8.548 8.548 8.190 0.358 19108 5629 1 7 . 1 1 44 44 THR N N 44 115.893 115.893 120.724 -4.831 19108 5630 1 7 . 1 1 44 44 THR HA H 44 4.524 4.524 4.224 0.300 19108 5631 1 7 . 1 1 44 44 THR CA C 44 61.285 61.285 63.190 -1.905 19108 5632 1 7 . 1 1 44 44 THR CB C 44 70.572 70.572 69.014 1.558 19108 5633 1 7 . 1 1 44 44 THR H H 44 7.833 7.833 7.673 0.160 19108 5634 1 7 . 1 1 45 45 SER N N 45 119.589 119.589 123.863 -4.274 19108 5635 1 7 . 1 1 45 45 SER HA H 45 4.804 4.804 4.956 -0.152 19108 5636 1 7 . 1 1 45 45 SER CA C 45 58.080 58.080 57.085 0.995 19108 5637 1 7 . 1 1 45 45 SER CB C 45 64.265 64.265 63.721 0.544 19108 5638 1 7 . 1 1 45 45 SER H H 45 8.590 8.590 8.629 -0.039 19108 5639 1 7 . 1 1 46 46 VAL N N 46 125.827 125.827 122.063 3.764 19108 5640 1 7 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.389 -0.096 19108 5641 1 7 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.664 1.179 19108 5642 1 7 . 1 1 46 46 VAL CB C 46 33.517 33.517 31.912 1.605 19108 5643 1 7 . 1 1 46 46 VAL H H 46 9.034 9.034 8.124 0.910 19108 5644 1 7 . 1 1 47 47 LYS N N 47 126.528 126.528 129.195 -2.667 19108 5645 1 7 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.604 -0.319 19108 5646 1 7 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.040 1.625 19108 5647 1 7 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.147 -0.355 19108 5648 1 7 . 1 1 47 47 LYS H H 47 8.738 8.738 8.445 0.293 19108 5649 1 7 . 1 1 48 48 MET N N 48 122.645 122.645 125.987 -3.342 19108 5650 1 7 . 1 1 48 48 MET HA H 48 5.195 5.195 4.583 0.612 19108 5651 1 7 . 1 1 48 48 MET CA C 48 54.747 54.747 55.850 -1.103 19108 5652 1 7 . 1 1 48 48 MET CB C 48 32.379 32.379 33.454 -1.075 19108 5653 1 7 . 1 1 48 48 MET H H 48 8.334 8.334 8.252 0.082 19108 5654 1 7 . 1 1 49 49 ASP N N 49 123.713 123.713 122.571 1.142 19108 5655 1 7 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.488 -0.064 19108 5656 1 7 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.755 -0.145 19108 5657 1 7 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.494 -0.460 19108 5658 1 7 . 1 1 49 49 ASP H H 49 8.575 8.575 8.566 0.009 19108 5659 1 7 . 1 1 50 50 GLN N N 50 117.540 117.540 119.149 -1.609 19108 5660 1 7 . 1 1 50 50 GLN H H 50 9.110 9.110 8.508 0.602 19108 5661 1 7 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.793 0.358 19108 5662 1 7 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.188 -1.353 19108 5663 1 7 . 1 1 51 51 HIS H H 51 8.031 8.031 8.402 -0.371 19108 5664 1 7 . 1 1 52 52 ARG N N 52 117.888 117.888 117.614 0.274 19108 5665 1 7 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.334 0.903 19108 5666 1 7 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.298 0.757 19108 5667 1 7 . 1 1 52 52 ARG CB C 52 33.054 33.054 33.014 0.041 19108 5668 1 7 . 1 1 52 52 ARG H H 52 7.685 7.685 7.381 0.304 19108 5669 1 7 . 1 1 53 53 GLY N N 53 108.573 108.573 106.298 2.275 19108 5670 1 7 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.681 0.027 19108 5671 1 7 . 1 1 53 53 GLY H H 53 7.529 7.529 7.369 0.160 19108 5672 1 7 . 1 1 54 54 PHE N N 54 113.146 113.146 116.717 -3.571 19108 5673 1 7 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.545 0.450 19108 5674 1 7 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.280 -0.424 19108 5675 1 7 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.420 1.943 19108 5676 1 7 . 1 1 54 54 PHE H H 54 8.287 8.287 7.706 0.581 19108 5677 1 7 . 1 1 55 55 LEU N N 55 119.389 119.389 124.118 -4.729 19108 5678 1 7 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.519 0.176 19108 5679 1 7 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.304 0.408 19108 5680 1 7 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.357 1.271 19108 5681 1 7 . 1 1 55 55 LEU H H 55 9.452 9.452 8.958 0.494 19108 5682 1 7 . 1 1 56 56 HIS N N 56 114.176 114.176 119.817 -5.641 19108 5683 1 7 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.550 0.889 19108 5684 1 7 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.765 0.700 19108 5685 1 7 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.756 0.711 19108 5686 1 7 . 1 1 56 56 HIS H H 56 7.709 7.709 7.602 0.107 19108 5687 1 7 . 1 1 57 57 ASN N N 57 116.522 116.522 118.564 -2.042 19108 5688 1 7 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.422 -0.007 19108 5689 1 7 . 1 1 57 57 ASN CA C 57 54.184 54.184 55.046 -0.862 19108 5690 1 7 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.133 -0.471 19108 5691 1 7 . 1 1 57 57 ASN H H 57 8.684 8.684 8.002 0.682 19108 5692 1 7 . 1 1 58 58 GLN N N 58 122.850 122.850 122.775 0.075 19108 5693 1 7 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.379 0.010 19108 5694 1 7 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.663 -0.810 19108 5695 1 7 . 1 1 58 58 GLN CB C 58 30.382 30.382 30.089 0.293 19108 5696 1 7 . 1 1 58 58 GLN H H 58 9.099 9.099 8.547 0.552 19108 5697 1 7 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.521 -0.221 19108 5698 1 7 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.117 0.387 19108 5699 1 7 . 1 1 59 59 ALA CB C 59 19.421 19.421 18.542 0.879 19108 5700 1 7 . 1 1 60 60 LYS N N 60 119.998 119.998 120.436 -0.438 19108 5701 1 7 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.183 -0.407 19108 5702 1 7 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.298 -0.997 19108 5703 1 7 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.345 0.471 19108 5704 1 7 . 1 1 60 60 LYS H H 60 8.344 8.344 8.500 -0.156 19108 5705 1 7 . 1 1 61 61 ASN N N 61 119.688 119.688 115.033 4.655 19108 5706 1 7 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.532 -0.077 19108 5707 1 7 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.958 -1.054 19108 5708 1 7 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.774 1.763 19108 5709 1 7 . 1 1 61 61 ASN H H 61 8.643 8.643 8.477 0.166 19108 5710 1 7 . 1 1 62 62 LEU N N 62 124.761 124.761 119.510 5.251 19108 5711 1 7 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.286 -0.352 19108 5712 1 7 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.443 -0.198 19108 5713 1 7 . 1 1 62 62 LEU CB C 62 40.943 40.943 42.157 -1.214 19108 5714 1 7 . 1 1 62 62 LEU H H 62 8.873 8.873 7.882 0.991 19108 5715 1 7 . 1 1 63 63 LEU N N 63 120.312 120.312 116.868 3.444 19108 5716 1 7 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.437 -0.238 19108 5717 1 7 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.759 0.318 19108 5718 1 7 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.350 -0.093 19108 5719 1 7 . 1 1 63 63 LEU H H 63 8.145 8.145 8.200 -0.055 19108 5720 1 7 . 1 1 64 64 CYS N N 64 113.898 113.898 119.465 -5.567 19108 5721 1 7 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.545 -0.374 19108 5722 1 7 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.492 -2.708 19108 5723 1 7 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.517 1.201 19108 5724 1 7 . 1 1 64 64 CYS H H 64 7.376 7.376 8.395 -1.019 19108 5725 1 7 . 1 1 65 65 GLY N N 65 108.894 108.894 106.977 1.917 19108 5726 1 7 . 1 1 65 65 GLY CA C 65 45.983 45.983 46.169 -0.186 19108 5727 1 7 . 1 1 65 65 GLY H H 65 7.789 7.789 8.203 -0.414 19108 5728 1 7 . 1 1 66 66 PHE N N 66 118.711 118.711 117.001 1.710 19108 5729 1 7 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.757 -0.840 19108 5730 1 7 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.088 -1.148 19108 5731 1 7 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.515 0.753 19108 5732 1 7 . 1 1 66 66 PHE H H 66 7.699 7.699 7.416 0.283 19108 5733 1 7 . 1 1 67 67 TYR N N 67 124.623 124.623 122.286 2.337 19108 5734 1 7 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.212 0.088 19108 5735 1 7 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.939 -0.175 19108 5736 1 7 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.912 -0.759 19108 5737 1 7 . 1 1 67 67 TYR H H 67 8.568 8.568 7.783 0.785 19108 5738 1 7 . 1 1 69 69 ARG N N 69 121.427 121.427 123.254 -1.827 19108 5739 1 7 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.797 2.260 19108 5740 1 7 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.267 -0.971 19108 5741 1 7 . 1 1 69 69 ARG H H 69 8.313 8.313 7.745 0.568 19108 5742 1 7 . 1 1 70 70 HIS N N 70 128.351 128.351 121.477 6.874 19108 5743 1 7 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.598 0.184 19108 5744 1 7 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.766 0.950 19108 5745 1 7 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.262 1.514 19108 5746 1 7 . 1 1 70 70 HIS H H 70 9.182 9.182 7.975 1.207 19108 5747 1 7 . 1 1 71 71 ALA N N 71 125.649 125.649 125.055 0.594 19108 5748 1 7 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.935 -0.578 19108 5749 1 7 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.205 0.577 19108 5750 1 7 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.803 -0.793 19108 5751 1 7 . 1 1 71 71 ALA H H 71 8.968 8.968 8.753 0.215 19108 5752 1 7 . 1 1 72 72 GLU N N 72 119.941 119.941 119.420 0.521 19108 5753 1 7 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.706 -0.729 19108 5754 1 7 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.453 1.503 19108 5755 1 7 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.994 -0.987 19108 5756 1 7 . 1 1 72 72 GLU H H 72 12.692 12.692 8.424 4.268 19108 5757 1 7 . 1 1 73 73 LEU N N 73 114.882 114.882 119.686 -4.804 19108 5758 1 7 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.913 -0.328 19108 5759 1 7 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.559 -1.898 19108 5760 1 7 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.298 -2.053 19108 5761 1 7 . 1 1 73 73 LEU H H 73 6.637 6.637 8.321 -1.684 19108 5762 1 7 . 1 1 74 74 ARG N N 74 117.799 117.799 118.334 -0.535 19108 5763 1 7 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.862 0.180 19108 5764 1 7 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.559 -0.384 19108 5765 1 7 . 1 1 74 74 ARG H H 74 7.556 7.556 7.451 0.105 19108 5766 1 7 . 1 1 75 75 PHE N N 75 119.783 119.783 120.304 -0.521 19108 5767 1 7 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.028 -0.467 19108 5768 1 7 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.656 1.018 19108 5769 1 7 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.653 -0.615 19108 5770 1 7 . 1 1 75 75 PHE H H 75 8.233 8.233 8.102 0.131 19108 5771 1 7 . 1 1 76 76 LEU N N 76 119.526 119.526 118.938 0.588 19108 5772 1 7 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.426 0.132 19108 5773 1 7 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.177 0.862 19108 5774 1 7 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.560 -2.544 19108 5775 1 7 . 1 1 76 76 LEU H H 76 7.629 7.629 8.303 -0.674 19108 5776 1 7 . 1 1 77 77 ASP N N 77 118.215 118.215 119.109 -0.894 19108 5777 1 7 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.382 -0.224 19108 5778 1 7 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.662 -0.262 19108 5779 1 7 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.295 -0.927 19108 5780 1 7 . 1 1 77 77 ASP H H 77 8.190 8.190 7.905 0.285 19108 5781 1 7 . 1 1 78 78 LEU N N 78 117.496 117.496 114.864 2.632 19108 5782 1 7 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.522 -0.232 19108 5783 1 7 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.308 -0.323 19108 5784 1 7 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.988 0.413 19108 5785 1 7 . 1 1 78 78 LEU H H 78 7.252 7.252 7.264 -0.012 19108 5786 1 7 . 1 1 79 79 VAL N N 79 120.915 120.915 121.648 -0.733 19108 5787 1 7 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.365 -0.142 19108 5788 1 7 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.511 1.017 19108 5789 1 7 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.830 0.290 19108 5790 1 7 . 1 1 79 79 VAL H H 79 7.179 7.179 7.199 -0.020 19108 5791 1 7 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.449 -0.474 19108 5792 1 7 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.302 1.485 19108 5793 1 7 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.056 -1.248 19108 5794 1 7 . 1 1 81 81 SER N N 81 112.727 112.727 114.035 -1.308 19108 5795 1 7 . 1 1 81 81 SER HA H 81 4.314 4.314 4.306 0.008 19108 5796 1 7 . 1 1 81 81 SER CA C 81 60.618 60.618 59.705 0.913 19108 5797 1 7 . 1 1 81 81 SER CB C 81 63.450 63.450 62.614 0.836 19108 5798 1 7 . 1 1 81 81 SER H H 81 7.828 7.828 7.381 0.447 19108 5799 1 7 . 1 1 82 82 LEU N N 82 120.918 120.918 121.857 -0.939 19108 5800 1 7 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.304 -0.430 19108 5801 1 7 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.569 0.923 19108 5802 1 7 . 1 1 82 82 LEU CB C 82 40.211 40.211 41.512 -1.301 19108 5803 1 7 . 1 1 82 82 LEU H H 82 7.912 7.912 7.304 0.608 19108 5804 1 7 . 1 1 83 83 GLN N N 83 111.397 111.397 117.020 -5.623 19108 5805 1 7 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.911 -0.103 19108 5806 1 7 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.094 0.072 19108 5807 1 7 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.679 -0.011 19108 5808 1 7 . 1 1 83 83 GLN H H 83 7.458 7.458 7.402 0.056 19108 5809 1 7 . 1 1 84 84 LEU N N 84 118.520 118.520 119.734 -1.214 19108 5810 1 7 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.066 -0.347 19108 5811 1 7 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.432 -1.690 19108 5812 1 7 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.383 -3.138 19108 5813 1 7 . 1 1 84 84 LEU H H 84 8.736 8.736 8.043 0.693 19108 5814 1 7 . 1 1 85 85 ASP N N 85 126.187 126.187 121.538 4.649 19108 5815 1 7 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.095 -0.212 19108 5816 1 7 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.959 -0.613 19108 5817 1 7 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.709 1.239 19108 5818 1 7 . 1 1 85 85 ASP H H 85 8.415 8.415 8.294 0.121 19108 5819 1 7 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.215 -0.287 19108 5820 1 7 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.089 -0.451 19108 5821 1 7 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.561 -0.275 19108 5822 1 7 . 1 1 87 87 ALA N N 87 121.030 121.030 120.240 0.790 19108 5823 1 7 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.177 0.241 19108 5824 1 7 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.039 -1.867 19108 5825 1 7 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.834 0.514 19108 5826 1 7 . 1 1 87 87 ALA H H 87 8.504 8.504 8.044 0.460 19108 5827 1 7 . 1 1 88 88 GLN N N 88 119.601 119.601 114.969 4.632 19108 5828 1 7 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.626 -0.104 19108 5829 1 7 . 1 1 88 88 GLN CA C 88 53.434 53.434 53.449 -0.015 19108 5830 1 7 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.489 -0.440 19108 5831 1 7 . 1 1 88 88 GLN H H 88 8.125 8.125 7.805 0.320 19108 5832 1 7 . 1 1 89 89 ILE N N 89 118.195 118.195 117.766 0.429 19108 5833 1 7 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.581 0.388 19108 5834 1 7 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.691 -1.151 19108 5835 1 7 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.944 0.308 19108 5836 1 7 . 1 1 89 89 ILE H H 89 8.099 8.099 8.331 -0.232 19108 5837 1 7 . 1 1 90 90 TYR N N 90 122.421 122.421 120.894 1.527 19108 5838 1 7 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.074 0.287 19108 5839 1 7 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.117 -1.077 19108 5840 1 7 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.809 -0.983 19108 5841 1 7 . 1 1 90 90 TYR H H 90 8.892 8.892 8.101 0.791 19108 5842 1 7 . 1 1 91 91 ARG N N 91 121.043 121.043 120.846 0.197 19108 5843 1 7 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.901 0.342 19108 5844 1 7 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.111 -1.576 19108 5845 1 7 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.352 -0.220 19108 5846 1 7 . 1 1 91 91 ARG H H 91 9.327 9.327 8.717 0.610 19108 5847 1 7 . 1 1 92 92 VAL N N 92 132.287 132.287 129.853 2.434 19108 5848 1 7 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.040 -0.116 19108 5849 1 7 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.672 -0.767 19108 5850 1 7 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.461 -0.608 19108 5851 1 7 . 1 1 92 92 VAL H H 92 9.668 9.668 8.972 0.696 19108 5852 1 7 . 1 1 93 93 THR N N 93 124.468 124.468 125.331 -0.863 19108 5853 1 7 . 1 1 93 93 THR HA H 93 5.264 5.264 4.668 0.596 19108 5854 1 7 . 1 1 93 93 THR CA C 93 61.616 61.616 62.863 -1.247 19108 5855 1 7 . 1 1 93 93 THR CB C 93 70.082 70.082 69.678 0.404 19108 5856 1 7 . 1 1 93 93 THR H H 93 9.381 9.381 8.411 0.970 19108 5857 1 7 . 1 1 94 94 TRP N N 94 124.491 124.491 128.840 -4.349 19108 5858 1 7 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.913 0.753 19108 5859 1 7 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.167 -2.962 19108 5860 1 7 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.989 2.679 19108 5861 1 7 . 1 1 94 94 TRP H H 94 9.071 9.071 9.254 -0.183 19108 5862 1 7 . 1 1 95 95 PHE N N 95 122.179 122.179 123.036 -0.857 19108 5863 1 7 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.991 0.679 19108 5864 1 7 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.223 -0.449 19108 5865 1 7 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.492 -1.043 19108 5866 1 7 . 1 1 95 95 PHE H H 95 9.578 9.578 8.717 0.861 19108 5867 1 7 . 1 1 96 96 ILE N N 96 125.072 125.072 121.623 3.449 19108 5868 1 7 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.133 0.840 19108 5869 1 7 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.834 -1.407 19108 5870 1 7 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.493 4.580 19108 5871 1 7 . 1 1 96 96 ILE H H 96 9.816 9.816 9.233 0.583 19108 5872 1 7 . 1 1 97 97 SER N N 97 124.020 124.020 117.995 6.025 19108 5873 1 7 . 1 1 97 97 SER HA H 97 3.623 3.623 4.838 -1.215 19108 5874 1 7 . 1 1 97 97 SER CA C 97 61.750 61.750 59.404 2.346 19108 5875 1 7 . 1 1 97 97 SER CB C 97 63.711 63.711 64.023 -0.312 19108 5876 1 7 . 1 1 97 97 SER H H 97 9.156 9.156 8.502 0.654 19108 5877 1 7 . 1 1 98 98 TRP N N 98 114.829 114.829 121.304 -6.475 19108 5878 1 7 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.236 0.103 19108 5879 1 7 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.119 -2.448 19108 5880 1 7 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.145 3.606 19108 5881 1 7 . 1 1 98 98 TRP H H 98 6.619 6.619 7.852 -1.233 19108 5882 1 7 . 1 1 99 99 SER N N 99 115.444 115.444 119.254 -3.810 19108 5883 1 7 . 1 1 99 99 SER CA C 99 58.045 58.045 57.981 0.064 19108 5884 1 7 . 1 1 99 99 SER CB C 99 61.927 61.927 63.274 -1.347 19108 5885 1 7 . 1 1 99 99 SER H H 99 8.590 8.590 8.163 0.427 19108 5886 1 7 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.602 -0.677 19108 5887 1 7 . 1 1 100 100 PRO CB C 100 34.796 34.796 33.336 1.460 19108 5888 1 7 . 1 1 101 101 CYS N N 101 121.768 121.768 116.101 5.667 19108 5889 1 7 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.745 1.915 19108 5890 1 7 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.741 1.448 19108 5891 1 7 . 1 1 101 101 CYS H H 101 8.686 8.686 8.203 0.483 19108 5892 1 7 . 1 1 102 102 PHE N N 102 115.031 115.031 123.197 -8.166 19108 5893 1 7 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.636 1.324 19108 5894 1 7 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.131 1.026 19108 5895 1 7 . 1 1 102 102 PHE H H 102 9.318 9.318 8.649 0.669 19108 5896 1 7 . 1 1 103 103 SER N N 103 119.552 119.552 124.329 -4.777 19108 5897 1 7 . 1 1 103 103 SER HA H 103 3.713 3.713 4.199 -0.486 19108 5898 1 7 . 1 1 103 103 SER CA C 103 63.368 63.368 61.544 1.824 19108 5899 1 7 . 1 1 103 103 SER CB C 103 60.539 60.539 62.638 -2.099 19108 5900 1 7 . 1 1 103 103 SER H H 103 10.858 10.858 8.746 2.112 19108 5901 1 7 . 1 1 104 104 TRP N N 104 117.909 117.909 122.041 -4.132 19108 5902 1 7 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.788 -1.012 19108 5903 1 7 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.510 0.704 19108 5904 1 7 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.501 -1.615 19108 5905 1 7 . 1 1 104 104 TRP H H 104 7.880 7.880 8.646 -0.766 19108 5906 1 7 . 1 1 105 105 GLY N N 105 106.359 106.359 108.603 -2.244 19108 5907 1 7 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.091 -1.010 19108 5908 1 7 . 1 1 105 105 GLY H H 105 7.468 7.468 8.901 -1.433 19108 5909 1 7 . 1 1 106 106 CYS N N 106 120.359 120.359 120.846 -0.487 19108 5910 1 7 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.599 -0.740 19108 5911 1 7 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.346 4.756 19108 5912 1 7 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.190 2.528 19108 5913 1 7 . 1 1 106 106 CYS H H 106 7.366 7.366 8.146 -0.780 19108 5914 1 7 . 1 1 107 107 ALA N N 107 119.725 119.725 122.505 -2.780 19108 5915 1 7 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.068 -0.203 19108 5916 1 7 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.325 1.609 19108 5917 1 7 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.189 0.255 19108 5918 1 7 . 1 1 107 107 ALA H H 107 8.719 8.719 8.681 0.038 19108 5919 1 7 . 1 1 108 108 GLY N N 108 103.829 103.829 107.016 -3.187 19108 5920 1 7 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.310 -0.416 19108 5921 1 7 . 1 1 108 108 GLY H H 108 8.555 8.555 8.767 -0.212 19108 5922 1 7 . 1 1 109 109 GLU N N 109 123.162 123.162 122.238 0.924 19108 5923 1 7 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.094 0.172 19108 5924 1 7 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.095 0.197 19108 5925 1 7 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.622 0.760 19108 5926 1 7 . 1 1 109 109 GLU H H 109 8.023 8.023 7.801 0.222 19108 5927 1 7 . 1 1 110 110 VAL N N 110 121.866 121.866 119.350 2.516 19108 5928 1 7 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.898 -0.199 19108 5929 1 7 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.817 1.226 19108 5930 1 7 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.412 -0.406 19108 5931 1 7 . 1 1 110 110 VAL H H 110 8.942 8.942 7.876 1.066 19108 5932 1 7 . 1 1 111 111 ARG N N 111 120.587 120.587 121.005 -0.418 19108 5933 1 7 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.803 -0.017 19108 5934 1 7 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.908 0.173 19108 5935 1 7 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.044 -0.869 19108 5936 1 7 . 1 1 111 111 ARG H H 111 8.653 8.653 8.496 0.157 19108 5937 1 7 . 1 1 112 112 ALA N N 112 120.687 120.687 121.736 -1.049 19108 5938 1 7 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.012 0.122 19108 5939 1 7 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.078 0.340 19108 5940 1 7 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.041 -0.050 19108 5941 1 7 . 1 1 112 112 ALA H H 112 7.875 7.875 7.923 -0.048 19108 5942 1 7 . 1 1 113 113 PHE N N 113 118.950 118.950 117.387 1.563 19108 5943 1 7 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.451 -0.114 19108 5944 1 7 . 1 1 113 113 PHE CA C 113 61.376 61.376 60.412 0.964 19108 5945 1 7 . 1 1 113 113 PHE CB C 113 39.387 39.387 38.921 0.466 19108 5946 1 7 . 1 1 113 113 PHE H H 113 8.139 8.139 7.807 0.332 19108 5947 1 7 . 1 1 114 114 LEU N N 114 120.595 120.595 117.553 3.042 19108 5948 1 7 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.830 -0.030 19108 5949 1 7 . 1 1 114 114 LEU CA C 114 57.133 57.133 56.851 0.282 19108 5950 1 7 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.752 -1.843 19108 5951 1 7 . 1 1 114 114 LEU H H 114 8.639 8.639 7.415 1.224 19108 5952 1 7 . 1 1 115 115 GLN N N 115 117.666 117.666 118.459 -0.793 19108 5953 1 7 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.976 0.047 19108 5954 1 7 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.731 -0.345 19108 5955 1 7 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.813 -0.275 19108 5956 1 7 . 1 1 115 115 GLN H H 115 8.167 8.167 8.478 -0.311 19108 5957 1 7 . 1 1 116 116 GLU N N 116 115.380 115.380 114.438 0.942 19108 5958 1 7 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.444 -0.122 19108 5959 1 7 . 1 1 116 116 GLU CA C 116 57.062 57.062 55.828 1.234 19108 5960 1 7 . 1 1 116 116 GLU CB C 116 30.715 30.715 29.923 0.792 19108 5961 1 7 . 1 1 116 116 GLU H H 116 7.448 7.448 7.772 -0.324 19108 5962 1 7 . 1 1 117 117 ASN N N 117 119.831 119.831 117.611 2.220 19108 5963 1 7 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.738 0.327 19108 5964 1 7 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.597 -0.412 19108 5965 1 7 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.831 -0.585 19108 5966 1 7 . 1 1 117 117 ASN H H 117 7.632 7.632 7.998 -0.366 19108 5967 1 7 . 1 1 118 118 THR N N 118 111.041 111.041 116.082 -5.041 19108 5968 1 7 . 1 1 118 118 THR HA H 118 4.317 4.317 4.015 0.302 19108 5969 1 7 . 1 1 118 118 THR CA C 118 64.081 64.081 62.666 1.415 19108 5970 1 7 . 1 1 118 118 THR CB C 118 68.767 68.767 68.528 0.239 19108 5971 1 7 . 1 1 118 118 THR H H 118 8.054 8.054 7.663 0.391 19108 5972 1 7 . 1 1 119 119 HIS N N 119 120.403 120.403 115.125 5.278 19108 5973 1 7 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.606 -0.317 19108 5974 1 7 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.289 1.312 19108 5975 1 7 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.298 1.022 19108 5976 1 7 . 1 1 119 119 HIS H H 119 9.248 9.248 8.217 1.031 19108 5977 1 7 . 1 1 120 120 VAL N N 120 120.001 120.001 117.835 2.166 19108 5978 1 7 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.550 -0.024 19108 5979 1 7 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.359 2.530 19108 5980 1 7 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.073 -2.078 19108 5981 1 7 . 1 1 120 120 VAL H H 120 7.379 7.379 7.210 0.169 19108 5982 1 7 . 1 1 121 121 ARG N N 121 125.312 125.312 125.555 -0.243 19108 5983 1 7 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.486 0.324 19108 5984 1 7 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.367 -1.300 19108 5985 1 7 . 1 1 121 121 ARG CB C 121 30.580 30.580 30.971 -0.391 19108 5986 1 7 . 1 1 121 121 ARG H H 121 8.775 8.775 8.112 0.663 19108 5987 1 7 . 1 1 122 122 LEU N N 122 125.483 125.483 126.654 -1.171 19108 5988 1 7 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.861 0.299 19108 5989 1 7 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.417 -0.116 19108 5990 1 7 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.502 3.170 19108 5991 1 7 . 1 1 122 122 LEU H H 122 9.345 9.345 8.712 0.633 19108 5992 1 7 . 1 1 123 123 ARG N N 123 127.748 127.748 126.962 0.786 19108 5993 1 7 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.474 0.262 19108 5994 1 7 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.054 0.113 19108 5995 1 7 . 1 1 123 123 ARG CB C 123 32.812 32.812 31.974 0.838 19108 5996 1 7 . 1 1 123 123 ARG H H 123 9.053 9.053 8.277 0.776 19108 5997 1 7 . 1 1 124 124 ILE N N 124 123.665 123.665 124.352 -0.687 19108 5998 1 7 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.157 0.285 19108 5999 1 7 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.713 0.046 19108 6000 1 7 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.460 1.433 19108 6001 1 7 . 1 1 124 124 ILE H H 124 9.019 9.019 8.535 0.484 19108 6002 1 7 . 1 1 125 125 PHE N N 125 126.320 126.320 126.533 -0.213 19108 6003 1 7 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.528 -0.363 19108 6004 1 7 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.444 0.470 19108 6005 1 7 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.637 -0.818 19108 6006 1 7 . 1 1 125 125 PHE H H 125 9.359 9.359 8.099 1.260 19108 6007 1 7 . 1 1 126 126 ALA N N 126 124.526 124.526 127.727 -3.201 19108 6008 1 7 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.101 0.715 19108 6009 1 7 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.383 -1.513 19108 6010 1 7 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.665 0.669 19108 6011 1 7 . 1 1 126 126 ALA H H 126 9.091 9.091 8.535 0.556 19108 6012 1 7 . 1 1 127 127 ALA N N 127 126.272 126.272 128.352 -2.080 19108 6013 1 7 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.553 0.198 19108 6014 1 7 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.828 1.640 19108 6015 1 7 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.947 -0.342 19108 6016 1 7 . 1 1 127 127 ALA H H 127 9.049 9.049 9.200 -0.151 19108 6017 1 7 . 1 1 128 128 ARG N N 128 108.570 108.570 118.314 -9.744 19108 6018 1 7 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.491 -0.077 19108 6019 1 7 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.022 4.184 19108 6020 1 7 . 1 1 128 128 ARG H H 128 6.741 6.741 7.538 -0.797 19108 6021 1 7 . 1 1 129 129 ILE N N 129 121.285 121.285 124.072 -2.787 19108 6022 1 7 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.222 0.069 19108 6023 1 7 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.650 0.217 19108 6024 1 7 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.392 0.437 19108 6025 1 7 . 1 1 129 129 ILE H H 129 8.340 8.340 8.328 0.012 19108 6026 1 7 . 1 1 130 130 TYR N N 130 130.143 130.143 126.046 4.097 19108 6027 1 7 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.358 0.977 19108 6028 1 7 . 1 1 130 130 TYR CA C 130 56.926 56.926 58.291 -1.365 19108 6029 1 7 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.948 -2.785 19108 6030 1 7 . 1 1 130 130 TYR H H 130 8.870 8.870 8.196 0.674 19108 6031 1 7 . 1 1 131 131 ASP N N 131 123.662 123.662 121.970 1.692 19108 6032 1 7 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.040 -1.373 19108 6033 1 7 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.126 0.587 19108 6034 1 7 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.654 -3.753 19108 6035 1 7 . 1 1 131 131 ASP H H 131 8.123 8.123 8.030 0.093 19108 6036 1 7 . 1 1 132 132 TYR N N 132 116.852 116.852 119.588 -2.736 19108 6037 1 7 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.658 -0.743 19108 6038 1 7 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.801 0.667 19108 6039 1 7 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.396 -0.359 19108 6040 1 7 . 1 1 132 132 TYR H H 132 6.448 6.448 8.806 -2.358 19108 6041 1 7 . 1 1 133 133 ASP N N 133 116.930 116.930 120.221 -3.291 19108 6042 1 7 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.576 -1.411 19108 6043 1 7 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.963 1.819 19108 6044 1 7 . 1 1 133 133 ASP H H 133 7.005 7.005 7.810 -0.805 19108 6045 1 7 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.356 -0.253 19108 6046 1 7 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.322 -0.621 19108 6047 1 7 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.864 0.226 19108 6048 1 7 . 1 1 135 135 LEU N N 135 120.252 120.252 118.163 2.089 19108 6049 1 7 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.959 0.739 19108 6050 1 7 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.529 -2.148 19108 6051 1 7 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.088 -1.344 19108 6052 1 7 . 1 1 135 135 LEU H H 135 8.456 8.456 7.889 0.567 19108 6053 1 7 . 1 1 136 136 TYR N N 136 117.432 117.432 119.290 -1.858 19108 6054 1 7 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.027 0.034 19108 6055 1 7 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.232 0.826 19108 6056 1 7 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.231 0.349 19108 6057 1 7 . 1 1 136 136 TYR H H 136 8.028 8.028 7.817 0.211 19108 6058 1 7 . 1 1 137 137 LYS N N 137 122.000 122.000 118.056 3.944 19108 6059 1 7 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.788 1.511 19108 6060 1 7 . 1 1 137 137 LYS CB C 137 30.798 30.798 30.960 -0.162 19108 6061 1 7 . 1 1 137 137 LYS H H 137 7.503 7.503 6.754 0.749 19108 6062 1 7 . 1 1 138 138 GLU N N 138 121.833 121.833 119.875 1.958 19108 6063 1 7 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.124 0.717 19108 6064 1 7 . 1 1 138 138 GLU CB C 138 27.469 27.469 28.993 -1.524 19108 6065 1 7 . 1 1 138 138 GLU H H 138 8.752 8.752 7.862 0.890 19108 6066 1 7 . 1 1 139 139 ALA N N 139 119.592 119.592 121.390 -1.798 19108 6067 1 7 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.217 -0.371 19108 6068 1 7 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.671 0.469 19108 6069 1 7 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.467 1.788 19108 6070 1 7 . 1 1 139 139 ALA H H 139 7.682 7.682 7.789 -0.107 19108 6071 1 7 . 1 1 140 140 LEU N N 140 116.268 116.268 119.879 -3.611 19108 6072 1 7 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.784 0.409 19108 6073 1 7 . 1 1 140 140 LEU CB C 140 41.095 41.095 42.120 -1.024 19108 6074 1 7 . 1 1 140 140 LEU H H 140 7.175 7.175 8.146 -0.971 19108 6075 1 7 . 1 1 141 141 GLN N N 141 117.550 117.550 117.847 -0.297 19108 6076 1 7 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.058 -0.339 19108 6077 1 7 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.709 0.342 19108 6078 1 7 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.899 -1.305 19108 6079 1 7 . 1 1 141 141 GLN H H 141 8.322 8.322 7.690 0.632 19108 6080 1 7 . 1 1 142 142 MET N N 142 118.520 118.520 120.022 -1.502 19108 6081 1 7 . 1 1 142 142 MET HA H 142 4.135 4.135 4.092 0.043 19108 6082 1 7 . 1 1 142 142 MET CA C 142 59.051 59.051 58.697 0.354 19108 6083 1 7 . 1 1 142 142 MET CB C 142 33.170 33.170 32.697 0.473 19108 6084 1 7 . 1 1 142 142 MET H H 142 8.241 8.241 7.960 0.281 19108 6085 1 7 . 1 1 143 143 LEU N N 143 118.659 118.659 119.988 -1.329 19108 6086 1 7 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.000 0.292 19108 6087 1 7 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.312 -0.197 19108 6088 1 7 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.787 -0.410 19108 6089 1 7 . 1 1 143 143 LEU H H 143 7.932 7.932 7.912 0.020 19108 6090 1 7 . 1 1 144 144 ARG N N 144 121.294 121.294 120.398 0.896 19108 6091 1 7 . 1 1 144 144 ARG HA H 144 4.426 4.426 4.147 0.279 19108 6092 1 7 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.038 -0.050 19108 6093 1 7 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.196 -1.088 19108 6094 1 7 . 1 1 144 144 ARG H H 144 7.968 7.968 7.697 0.271 19108 6095 1 7 . 1 1 145 145 ASP N N 145 122.553 122.553 119.093 3.460 19108 6096 1 7 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.469 -0.040 19108 6097 1 7 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.985 0.593 19108 6098 1 7 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.511 -0.921 19108 6099 1 7 . 1 1 145 145 ASP H H 145 8.868 8.868 7.748 1.120 19108 6100 1 7 . 1 1 146 146 ALA N N 146 120.102 120.102 119.940 0.162 19108 6101 1 7 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.372 0.046 19108 6102 1 7 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.236 -0.202 19108 6103 1 7 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.702 -1.407 19108 6104 1 7 . 1 1 146 146 ALA H H 146 7.737 7.737 8.026 -0.289 19108 6105 1 7 . 1 1 147 147 GLY N N 147 105.039 105.039 106.346 -1.307 19108 6106 1 7 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.675 0.189 19108 6107 1 7 . 1 1 147 147 GLY H H 147 7.966 7.966 7.949 0.017 19108 6108 1 7 . 1 1 148 148 ALA N N 148 124.181 124.181 125.669 -1.488 19108 6109 1 7 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.140 0.549 19108 6110 1 7 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.774 -1.315 19108 6111 1 7 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.556 -1.077 19108 6112 1 7 . 1 1 148 148 ALA H H 148 8.051 8.051 8.074 -0.023 19108 6113 1 7 . 1 1 149 149 GLN N N 149 122.185 122.185 120.384 1.801 19108 6114 1 7 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.624 -0.185 19108 6115 1 7 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.007 -0.052 19108 6116 1 7 . 1 1 149 149 GLN CB C 149 29.421 29.421 31.665 -2.244 19108 6117 1 7 . 1 1 149 149 GLN H H 149 7.953 7.953 7.915 0.038 19108 6118 1 7 . 1 1 150 150 VAL N N 150 127.399 127.399 123.479 3.920 19108 6119 1 7 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.920 -0.168 19108 6120 1 7 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.297 0.142 19108 6121 1 7 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.868 -0.690 19108 6122 1 7 . 1 1 150 150 VAL H H 150 8.658 8.658 8.323 0.335 19108 6123 1 7 . 1 1 151 151 SER N N 151 120.616 120.616 121.189 -0.573 19108 6124 1 7 . 1 1 151 151 SER HA H 151 5.179 5.179 4.865 0.314 19108 6125 1 7 . 1 1 151 151 SER CA C 151 56.981 56.981 57.523 -0.542 19108 6126 1 7 . 1 1 151 151 SER CB C 151 66.538 66.538 65.872 0.666 19108 6127 1 7 . 1 1 151 151 SER H H 151 8.737 8.737 8.351 0.386 19108 6128 1 7 . 1 1 152 152 ILE N N 152 123.180 123.180 123.336 -0.156 19108 6129 1 7 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.419 0.728 19108 6130 1 7 . 1 1 152 152 ILE CA C 152 56.518 56.518 61.038 -4.520 19108 6131 1 7 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.302 -2.222 19108 6132 1 7 . 1 1 152 152 ILE H H 152 8.672 8.672 8.613 0.059 19108 6133 1 7 . 1 1 153 153 MET N N 153 123.477 123.477 129.389 -5.912 19108 6134 1 7 . 1 1 153 153 MET HA H 153 3.886 3.886 4.563 -0.677 19108 6135 1 7 . 1 1 153 153 MET CA C 153 59.053 59.053 56.824 2.229 19108 6136 1 7 . 1 1 153 153 MET CB C 153 34.793 34.793 33.040 1.753 19108 6137 1 7 . 1 1 153 153 MET H H 153 8.314 8.314 8.055 0.259 19108 6138 1 7 . 1 1 154 154 THR N N 154 117.621 117.621 119.583 -1.962 19108 6139 1 7 . 1 1 154 154 THR HA H 154 4.951 4.951 4.742 0.209 19108 6140 1 7 . 1 1 154 154 THR CA C 154 60.436 60.436 60.256 0.180 19108 6141 1 7 . 1 1 154 154 THR CB C 154 72.370 72.370 71.117 1.253 19108 6142 1 7 . 1 1 154 154 THR H H 154 9.630 9.630 7.879 1.751 19108 6143 1 7 . 1 1 155 155 TYR N N 155 121.751 121.751 126.373 -4.622 19108 6144 1 7 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.248 -0.149 19108 6145 1 7 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.625 2.814 19108 6146 1 7 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.587 1.698 19108 6147 1 7 . 1 1 155 155 TYR H H 155 9.769 9.769 9.175 0.594 19108 6148 1 7 . 1 1 156 156 ASP N N 156 115.555 115.555 117.391 -1.836 19108 6149 1 7 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.850 0.258 19108 6150 1 7 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.181 0.079 19108 6151 1 7 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.913 0.705 19108 6152 1 7 . 1 1 156 156 ASP H H 156 8.230 8.230 8.717 -0.487 19108 6153 1 7 . 1 1 157 157 GLU N N 157 117.678 117.678 120.601 -2.923 19108 6154 1 7 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.955 -0.085 19108 6155 1 7 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.976 1.531 19108 6156 1 7 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.456 1.592 19108 6157 1 7 . 1 1 157 157 GLU H H 157 7.470 7.470 7.388 0.082 19108 6158 1 7 . 1 1 158 158 PHE N N 158 119.869 119.869 120.338 -0.469 19108 6159 1 7 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.091 -0.262 19108 6160 1 7 . 1 1 158 158 PHE CA C 158 62.776 62.776 62.442 0.334 19108 6161 1 7 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.891 1.016 19108 6162 1 7 . 1 1 158 158 PHE H H 158 8.077 8.077 8.420 -0.343 19108 6163 1 7 . 1 1 159 159 LYS N N 159 118.859 118.859 119.737 -0.878 19108 6164 1 7 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.894 0.023 19108 6165 1 7 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.205 -0.974 19108 6166 1 7 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.268 -0.305 19108 6167 1 7 . 1 1 159 159 LYS H H 159 8.273 8.273 7.648 0.625 19108 6168 1 7 . 1 1 160 160 HIS N N 160 115.889 115.889 119.565 -3.676 19108 6169 1 7 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.166 -0.007 19108 6170 1 7 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.769 0.212 19108 6171 1 7 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.346 -1.416 19108 6172 1 7 . 1 1 160 160 HIS H H 160 7.695 7.695 7.639 0.056 19108 6173 1 7 . 1 1 161 161 CYS N N 161 118.188 118.188 118.353 -0.165 19108 6174 1 7 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.735 0.054 19108 6175 1 7 . 1 1 161 161 CYS CA C 161 63.794 63.794 64.199 -0.405 19108 6176 1 7 . 1 1 161 161 CYS CB C 161 27.886 27.886 27.485 0.401 19108 6177 1 7 . 1 1 161 161 CYS H H 161 7.885 7.885 8.505 -0.620 19108 6178 1 7 . 1 1 162 162 TRP N N 162 122.741 122.741 121.862 0.879 19108 6179 1 7 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.367 0.397 19108 6180 1 7 . 1 1 162 162 TRP CA C 162 59.717 59.717 60.170 -0.453 19108 6181 1 7 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.716 -0.123 19108 6182 1 7 . 1 1 162 162 TRP H H 162 8.040 8.040 8.673 -0.633 19108 6183 1 7 . 1 1 163 163 ASP N N 163 113.796 113.796 118.345 -4.549 19108 6184 1 7 . 1 1 163 163 ASP HA H 163 4.126 4.126 4.087 0.039 19108 6185 1 7 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.762 0.167 19108 6186 1 7 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.358 0.177 19108 6187 1 7 . 1 1 163 163 ASP H H 163 8.319 8.319 8.012 0.307 19108 6188 1 7 . 1 1 164 164 THR N N 164 112.008 112.008 113.351 -1.343 19108 6189 1 7 . 1 1 164 164 THR HA H 164 3.803 3.803 3.990 -0.187 19108 6190 1 7 . 1 1 164 164 THR CA C 164 65.164 65.164 64.363 0.801 19108 6191 1 7 . 1 1 164 164 THR CB C 164 70.171 70.171 69.204 0.967 19108 6192 1 7 . 1 1 164 164 THR H H 164 7.494 7.494 7.247 0.247 19108 6193 1 7 . 1 1 165 165 PHE N N 165 115.079 115.079 118.806 -3.727 19108 6194 1 7 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.572 -0.037 19108 6195 1 7 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.561 0.408 19108 6196 1 7 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.794 0.574 19108 6197 1 7 . 1 1 165 165 PHE H H 165 8.235 8.235 8.106 0.129 19108 6198 1 7 . 1 1 166 166 VAL N N 166 118.432 118.432 118.241 0.191 19108 6199 1 7 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.012 0.013 19108 6200 1 7 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.957 1.044 19108 6201 1 7 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.172 -3.817 19108 6202 1 7 . 1 1 166 166 VAL H H 166 6.838 6.838 7.238 -0.400 19108 6203 1 7 . 1 1 167 167 ASP N N 167 126.263 126.263 123.203 3.060 19108 6204 1 7 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.362 -0.514 19108 6205 1 7 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.821 -2.191 19108 6206 1 7 . 1 1 167 167 ASP CB C 167 38.080 38.080 40.307 -2.227 19108 6207 1 7 . 1 1 167 167 ASP H H 167 8.498 8.498 8.241 0.257 19108 6208 1 7 . 1 1 168 168 HIS N N 168 119.890 119.890 119.195 0.695 19108 6209 1 7 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.101 0.245 19108 6210 1 7 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.925 -2.350 19108 6211 1 7 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.056 2.406 19108 6212 1 7 . 1 1 168 168 HIS H H 168 6.977 6.977 7.941 -0.964 19108 6213 1 7 . 1 1 169 169 GLN N N 169 119.254 119.254 114.992 4.262 19108 6214 1 7 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.929 -0.206 19108 6215 1 7 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.653 0.117 19108 6216 1 7 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.429 -0.908 19108 6217 1 7 . 1 1 169 169 GLN H H 169 9.126 9.126 8.871 0.255 19108 6218 1 7 . 1 1 170 170 GLY N N 170 111.911 111.911 101.245 10.666 19108 6219 1 7 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.362 0.462 19108 6220 1 7 . 1 1 170 170 GLY H H 170 11.556 11.556 5.284 6.272 19108 6221 1 7 . 1 1 171 171 CYS N N 171 123.390 123.390 121.200 2.190 19108 6222 1 7 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.986 -0.270 19108 6223 1 7 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.773 2.013 19108 6224 1 7 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.932 -1.028 19108 6225 1 7 . 1 1 171 171 CYS H H 171 8.044 8.044 6.875 1.169 19108 6226 1 7 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.607 0.011 19108 6227 1 7 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.613 -0.755 19108 6228 1 7 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.550 -0.021 19108 6229 1 7 . 1 1 173 173 PHE N N 173 121.101 121.101 120.822 0.279 19108 6230 1 7 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.369 -1.713 19108 6231 1 7 . 1 1 173 173 PHE CA C 173 57.541 57.541 55.690 1.851 19108 6232 1 7 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.575 -0.829 19108 6233 1 7 . 1 1 173 173 PHE H H 173 8.842 8.842 7.131 1.711 19108 6234 1 7 . 1 1 174 174 GLN N N 174 129.493 129.493 125.709 3.784 19108 6235 1 7 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.087 0.230 19108 6236 1 7 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.761 -0.966 19108 6237 1 7 . 1 1 174 174 GLN CB C 174 29.097 29.097 27.781 1.316 19108 6238 1 7 . 1 1 174 174 GLN H H 174 7.250 7.250 8.046 -0.796 19108 6239 1 7 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.779 -0.865 19108 6240 1 7 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.421 0.002 19108 6241 1 7 . 1 1 176 176 TRP N N 176 118.133 118.133 123.875 -5.742 19108 6242 1 7 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.711 -0.078 19108 6243 1 7 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.023 0.139 19108 6244 1 7 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.152 -0.264 19108 6245 1 7 . 1 1 176 176 TRP H H 176 5.591 5.591 6.968 -1.377 19108 6246 1 7 . 1 1 177 177 ASP N N 177 121.814 121.814 119.936 1.878 19108 6247 1 7 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.611 -0.214 19108 6248 1 7 . 1 1 177 177 ASP CA C 177 56.172 56.172 53.923 2.249 19108 6249 1 7 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.415 1.260 19108 6250 1 7 . 1 1 177 177 ASP H H 177 8.848 8.848 8.502 0.346 19108 6251 1 7 . 1 1 178 178 GLY N N 178 111.875 111.875 111.024 0.851 19108 6252 1 7 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.533 0.133 19108 6253 1 7 . 1 1 178 178 GLY H H 178 8.987 8.987 7.962 1.025 19108 6254 1 7 . 1 1 179 179 LEU N N 179 121.470 121.470 123.563 -2.093 19108 6255 1 7 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.120 0.368 19108 6256 1 7 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.214 2.568 19108 6257 1 7 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.126 1.103 19108 6258 1 7 . 1 1 179 179 LEU H H 179 7.148 7.148 7.813 -0.665 19108 6259 1 7 . 1 1 180 180 ASP N N 180 119.476 119.476 118.453 1.023 19108 6260 1 7 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.203 0.289 19108 6261 1 7 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.212 -0.273 19108 6262 1 7 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.303 0.410 19108 6263 1 7 . 1 1 180 180 ASP H H 180 8.874 8.874 8.640 0.234 19108 6264 1 7 . 1 1 181 181 GLU N N 181 122.379 122.379 119.715 2.664 19108 6265 1 7 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.007 0.005 19108 6266 1 7 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.595 0.374 19108 6267 1 7 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.483 -0.557 19108 6268 1 7 . 1 1 181 181 GLU H H 181 8.712 8.712 7.592 1.120 19108 6269 1 7 . 1 1 182 182 HIS N N 182 118.572 118.572 117.453 1.119 19108 6270 1 7 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.266 0.488 19108 6271 1 7 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.925 0.104 19108 6272 1 7 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.174 -0.326 19108 6273 1 7 . 1 1 182 182 HIS H H 182 8.854 8.854 8.368 0.486 19108 6274 1 7 . 1 1 183 183 SER N N 183 116.329 116.329 115.627 0.702 19108 6275 1 7 . 1 1 183 183 SER HA H 183 4.554 4.554 4.125 0.429 19108 6276 1 7 . 1 1 183 183 SER CA C 183 63.604 63.604 62.935 0.669 19108 6277 1 7 . 1 1 183 183 SER CB C 183 65.216 65.216 63.056 2.160 19108 6278 1 7 . 1 1 183 183 SER H H 183 8.665 8.665 8.735 -0.070 19108 6279 1 7 . 1 1 184 184 GLN N N 184 122.215 122.215 120.191 2.024 19108 6280 1 7 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.004 0.243 19108 6281 1 7 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.776 0.184 19108 6282 1 7 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.714 0.221 19108 6283 1 7 . 1 1 184 184 GLN H H 184 8.714 8.714 7.672 1.042 19108 6284 1 7 . 1 1 185 185 ALA N N 185 124.432 124.432 122.328 2.104 19108 6285 1 7 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.108 0.176 19108 6286 1 7 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.995 0.474 19108 6287 1 7 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.366 0.008 19108 6288 1 7 . 1 1 185 185 ALA H H 185 8.258 8.258 7.753 0.505 19108 6289 1 7 . 1 1 186 186 LEU N N 186 119.941 119.941 118.667 1.274 19108 6290 1 7 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.924 0.288 19108 6291 1 7 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.029 0.187 19108 6292 1 7 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.305 1.459 19108 6293 1 7 . 1 1 186 186 LEU H H 186 8.953 8.953 8.566 0.387 19108 6294 1 7 . 1 1 187 187 SER N N 187 116.987 116.987 114.528 2.459 19108 6295 1 7 . 1 1 187 187 SER HA H 187 4.039 4.039 4.173 -0.134 19108 6296 1 7 . 1 1 187 187 SER CA C 187 63.302 63.302 62.032 1.270 19108 6297 1 7 . 1 1 187 187 SER CB C 187 62.760 62.760 62.085 0.675 19108 6298 1 7 . 1 1 187 187 SER H H 187 8.935 8.935 8.604 0.331 19108 6299 1 7 . 1 1 188 188 GLY N N 188 110.215 110.215 109.819 0.396 19108 6300 1 7 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.654 0.500 19108 6301 1 7 . 1 1 188 188 GLY H H 188 8.228 8.228 7.837 0.391 19108 6302 1 7 . 1 1 189 189 ARG N N 189 122.994 122.994 122.532 0.462 19108 6303 1 7 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.207 0.030 19108 6304 1 7 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.115 0.444 19108 6305 1 7 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.051 0.344 19108 6306 1 7 . 1 1 189 189 ARG H H 189 7.838 7.838 7.735 0.103 19108 6307 1 7 . 1 1 190 190 LEU N N 190 119.765 119.765 119.859 -0.094 19108 6308 1 7 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.114 0.124 19108 6309 1 7 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.434 -0.215 19108 6310 1 7 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.289 -0.047 19108 6311 1 7 . 1 1 190 190 LEU H H 190 8.791 8.791 8.515 0.276 19108 6312 1 7 . 1 1 191 191 ARG N N 191 118.427 118.427 119.129 -0.702 19108 6313 1 7 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.986 0.057 19108 6314 1 7 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.702 0.080 19108 6315 1 7 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.949 0.242 19108 6316 1 7 . 1 1 191 191 ARG H H 191 8.305 8.305 7.913 0.392 19108 6317 1 7 . 1 1 192 192 ALA N N 192 119.414 119.414 122.148 -2.734 19108 6318 1 7 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.051 0.166 19108 6319 1 7 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.887 -0.171 19108 6320 1 7 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.254 -0.089 19108 6321 1 7 . 1 1 192 192 ALA H H 192 7.414 7.414 7.377 0.037 19108 6322 1 7 . 1 1 193 193 ILE N N 193 118.949 118.949 117.299 1.650 19108 6323 1 7 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.788 -0.018 19108 6324 1 7 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.934 0.904 19108 6325 1 7 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.838 1.608 19108 6326 1 7 . 1 1 193 193 ILE H H 193 7.896 7.896 7.769 0.127 19108 6327 1 7 . 1 1 194 194 LEU N N 194 116.435 116.435 118.256 -1.821 19108 6328 1 7 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.177 0.096 19108 6329 1 7 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.723 -1.010 19108 6330 1 7 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.749 -2.278 19108 6331 1 7 . 1 1 194 194 LEU H H 194 8.296 8.296 7.355 0.941 19108 6332 1 7 . 1 1 195 195 GLN N N 195 118.580 118.580 118.271 0.309 19108 6333 1 7 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.428 -0.093 19108 6334 1 7 . 1 1 195 195 GLN CA C 195 56.417 56.417 54.819 1.598 19108 6335 1 7 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.550 0.048 19108 6336 1 7 . 1 1 195 195 GLN H H 195 7.921 7.921 8.205 -0.284 19108 6337 1 7 . 1 1 196 196 ASN N N 196 118.941 118.941 123.081 -4.140 19108 6338 1 7 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.553 0.149 19108 6339 1 7 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.310 0.140 19108 6340 1 7 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.897 -0.072 19108 6341 1 7 . 1 1 196 196 ASN H H 196 8.078 8.078 8.341 -0.263 19108 6342 1 7 . 1 1 197 197 GLN N N 197 120.984 120.984 119.600 1.384 19108 6343 1 7 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.071 0.285 19108 6344 1 7 . 1 1 197 197 GLN CA C 197 56.166 56.166 57.255 -1.089 19108 6345 1 7 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.647 0.849 19108 6346 1 7 . 1 1 197 197 GLN H H 197 8.526 8.526 8.437 0.089 19108 6347 1 7 . 1 1 198 198 GLY N N 198 109.565 109.565 112.826 -3.261 19108 6348 1 7 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.913 0.471 19108 6349 1 7 . 1 1 198 198 GLY H H 198 8.467 8.467 8.556 -0.089 19108 6350 1 8 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.494 -0.120 19108 6351 1 8 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.579 -0.231 19108 6352 1 8 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.944 0.509 19108 6353 1 8 . 1 1 3 3 ALA N N 3 125.932 125.932 125.292 0.640 19108 6354 1 8 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.422 -0.072 19108 6355 1 8 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.840 0.567 19108 6356 1 8 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.477 0.103 19108 6357 1 8 . 1 1 3 3 ALA H H 3 8.526 8.526 8.004 0.522 19108 6358 1 8 . 1 1 4 4 SER N N 4 116.729 116.729 119.236 -2.507 19108 6359 1 8 . 1 1 4 4 SER HA H 4 4.766 4.766 4.596 0.170 19108 6360 1 8 . 1 1 4 4 SER CA C 4 56.283 56.283 57.320 -1.037 19108 6361 1 8 . 1 1 4 4 SER CB C 4 63.278 63.278 62.757 0.521 19108 6362 1 8 . 1 1 4 4 SER H H 4 8.397 8.397 8.556 -0.159 19108 6363 1 8 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.367 0.079 19108 6364 1 8 . 1 1 5 5 PRO CA C 5 63.306 63.306 64.034 -0.728 19108 6365 1 8 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.801 0.296 19108 6366 1 8 . 1 1 6 6 ALA N N 6 124.236 124.236 121.675 2.561 19108 6367 1 8 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.202 0.131 19108 6368 1 8 . 1 1 6 6 ALA CA C 6 52.563 52.563 53.181 -0.618 19108 6369 1 8 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.938 0.396 19108 6370 1 8 . 1 1 6 6 ALA H H 6 8.411 8.411 7.795 0.616 19108 6371 1 8 . 1 1 7 7 SER N N 7 114.497 114.497 111.373 3.124 19108 6372 1 8 . 1 1 7 7 SER HA H 7 4.475 4.475 4.141 0.334 19108 6373 1 8 . 1 1 7 7 SER CA C 7 58.258 58.258 58.399 -0.141 19108 6374 1 8 . 1 1 7 7 SER CB C 7 64.174 64.174 62.927 1.247 19108 6375 1 8 . 1 1 7 7 SER H H 7 8.195 8.195 8.434 -0.239 19108 6376 1 8 . 1 1 8 8 GLY N N 8 110.497 110.497 107.751 2.746 19108 6377 1 8 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.178 -0.332 19108 6378 1 8 . 1 1 8 8 GLY H H 8 8.226 8.226 8.294 -0.068 19108 6379 1 8 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.521 -0.072 19108 6380 1 8 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.366 0.068 19108 6381 1 8 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.937 0.256 19108 6382 1 8 . 1 1 10 10 ARG N N 10 120.534 120.534 115.966 4.568 19108 6383 1 8 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.078 0.263 19108 6384 1 8 . 1 1 10 10 ARG CA C 10 56.016 56.016 57.829 -1.813 19108 6385 1 8 . 1 1 10 10 ARG CB C 10 30.809 30.809 29.502 1.307 19108 6386 1 8 . 1 1 10 10 ARG H H 10 8.469 8.469 7.852 0.617 19108 6387 1 8 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.827 -0.002 19108 6388 1 8 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.577 -0.116 19108 6389 1 8 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.765 0.426 19108 6390 1 8 . 1 1 12 12 LEU N N 12 122.284 122.284 122.292 -0.008 19108 6391 1 8 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.201 0.408 19108 6392 1 8 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.350 1.680 19108 6393 1 8 . 1 1 12 12 LEU H H 12 8.250 8.250 8.045 0.205 19108 6394 1 8 . 1 1 13 13 MET N N 13 121.493 121.493 117.188 4.305 19108 6395 1 8 . 1 1 13 13 MET HA H 13 4.038 4.038 4.477 -0.439 19108 6396 1 8 . 1 1 13 13 MET CA C 13 54.449 54.449 54.839 -0.390 19108 6397 1 8 . 1 1 13 13 MET CB C 13 35.015 35.015 32.213 2.802 19108 6398 1 8 . 1 1 13 13 MET H H 13 8.955 8.955 8.510 0.445 19108 6399 1 8 . 1 1 14 14 ASP N N 14 127.113 127.113 122.263 4.850 19108 6400 1 8 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.856 -0.756 19108 6401 1 8 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.188 -0.732 19108 6402 1 8 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.655 1.855 19108 6403 1 8 . 1 1 14 14 ASP H H 14 8.514 8.514 8.597 -0.083 19108 6404 1 8 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.152 -0.299 19108 6405 1 8 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.576 0.078 19108 6406 1 8 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.206 -0.555 19108 6407 1 8 . 1 1 16 16 HIS N N 16 115.776 115.776 116.652 -0.876 19108 6408 1 8 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.398 -0.120 19108 6409 1 8 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.681 -0.763 19108 6410 1 8 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.866 -0.658 19108 6411 1 8 . 1 1 16 16 HIS H H 16 8.591 8.591 8.514 0.077 19108 6412 1 8 . 1 1 17 17 ILE N N 17 122.675 122.675 119.275 3.400 19108 6413 1 8 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.810 -0.326 19108 6414 1 8 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.786 -1.560 19108 6415 1 8 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.219 -1.122 19108 6416 1 8 . 1 1 17 17 ILE H H 17 7.558 7.558 7.601 -0.043 19108 6417 1 8 . 1 1 18 18 PHE N N 18 120.513 120.513 121.155 -0.642 19108 6418 1 8 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.210 -0.207 19108 6419 1 8 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.296 0.508 19108 6420 1 8 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.330 0.310 19108 6421 1 8 . 1 1 18 18 PHE H H 18 7.831 7.831 8.028 -0.197 19108 6422 1 8 . 1 1 19 19 THR N N 19 114.555 114.555 114.727 -0.172 19108 6423 1 8 . 1 1 19 19 THR HA H 19 3.657 3.657 4.016 -0.359 19108 6424 1 8 . 1 1 19 19 THR CA C 19 66.485 66.485 65.916 0.569 19108 6425 1 8 . 1 1 19 19 THR CB C 19 68.345 68.345 68.692 -0.347 19108 6426 1 8 . 1 1 19 19 THR H H 19 9.036 9.036 8.188 0.848 19108 6427 1 8 . 1 1 20 20 SER N N 20 113.030 113.030 116.326 -3.296 19108 6428 1 8 . 1 1 20 20 SER HA H 20 4.062 4.062 4.104 -0.042 19108 6429 1 8 . 1 1 20 20 SER CA C 20 60.610 60.610 60.673 -0.063 19108 6430 1 8 . 1 1 20 20 SER CB C 20 63.843 63.843 63.465 0.378 19108 6431 1 8 . 1 1 20 20 SER H H 20 7.809 7.809 8.301 -0.492 19108 6432 1 8 . 1 1 21 21 ASN N N 21 115.629 115.629 118.300 -2.671 19108 6433 1 8 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.344 0.067 19108 6434 1 8 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.243 2.746 19108 6435 1 8 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.369 3.211 19108 6436 1 8 . 1 1 21 21 ASN H H 21 7.362 7.362 7.706 -0.344 19108 6437 1 8 . 1 1 22 22 PHE N N 22 117.773 117.773 114.858 2.915 19108 6438 1 8 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.421 -0.148 19108 6439 1 8 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.445 -0.985 19108 6440 1 8 . 1 1 22 22 PHE CB C 22 37.830 37.830 40.783 -2.954 19108 6441 1 8 . 1 1 22 22 PHE H H 22 8.296 8.296 7.225 1.071 19108 6442 1 8 . 1 1 23 23 ASN N N 23 115.026 115.026 120.347 -5.321 19108 6443 1 8 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.057 0.472 19108 6444 1 8 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.028 0.614 19108 6445 1 8 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.866 -2.243 19108 6446 1 8 . 1 1 23 23 ASN H H 23 6.097 6.097 7.201 -1.104 19108 6447 1 8 . 1 1 24 24 ASN N N 24 122.900 122.900 120.785 2.115 19108 6448 1 8 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.213 0.220 19108 6449 1 8 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.705 -0.431 19108 6450 1 8 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.886 0.006 19108 6451 1 8 . 1 1 24 24 ASN H H 24 7.083 7.083 7.708 -0.625 19108 6452 1 8 . 1 1 25 25 GLY N N 25 105.587 105.587 109.398 -3.811 19108 6453 1 8 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.659 0.206 19108 6454 1 8 . 1 1 25 25 GLY H H 25 8.520 8.520 8.487 0.033 19108 6455 1 8 . 1 1 26 26 ILE N N 26 120.182 120.182 119.681 0.501 19108 6456 1 8 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.121 0.053 19108 6457 1 8 . 1 1 26 26 ILE CA C 26 60.443 60.443 61.213 -0.770 19108 6458 1 8 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.708 1.807 19108 6459 1 8 . 1 1 26 26 ILE H H 26 6.944 6.944 7.739 -0.795 19108 6460 1 8 . 1 1 27 27 GLY N N 27 111.665 111.665 108.175 3.490 19108 6461 1 8 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.344 -0.026 19108 6462 1 8 . 1 1 27 27 GLY H H 27 8.457 8.457 8.630 -0.173 19108 6463 1 8 . 1 1 28 28 ARG N N 28 117.565 117.565 119.068 -1.503 19108 6464 1 8 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.543 -1.978 19108 6465 1 8 . 1 1 28 28 ARG H H 28 6.741 6.741 8.016 -1.275 19108 6466 1 8 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.961 1.042 19108 6467 1 8 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.908 0.136 19108 6468 1 8 . 1 1 29 29 HIS H H 29 8.636 8.636 8.134 0.502 19108 6469 1 8 . 1 1 30 30 LYS N N 30 119.344 119.344 117.119 2.225 19108 6470 1 8 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.297 0.124 19108 6471 1 8 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.415 1.449 19108 6472 1 8 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.377 1.814 19108 6473 1 8 . 1 1 30 30 LYS H H 30 7.870 7.870 7.176 0.694 19108 6474 1 8 . 1 1 31 31 THR N N 31 118.233 118.233 114.356 3.877 19108 6475 1 8 . 1 1 31 31 THR HA H 31 4.125 4.125 3.644 0.481 19108 6476 1 8 . 1 1 31 31 THR CA C 31 63.175 63.175 63.260 -0.085 19108 6477 1 8 . 1 1 31 31 THR H H 31 8.436 8.436 7.212 1.224 19108 6478 1 8 . 1 1 32 32 TYR N N 32 124.026 124.026 127.556 -3.530 19108 6479 1 8 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.044 -0.108 19108 6480 1 8 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.423 0.078 19108 6481 1 8 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.515 2.889 19108 6482 1 8 . 1 1 32 32 TYR H H 32 8.244 8.244 9.196 -0.952 19108 6483 1 8 . 1 1 33 33 LEU N N 33 125.428 125.428 124.420 1.008 19108 6484 1 8 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.338 -0.259 19108 6485 1 8 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.161 1.677 19108 6486 1 8 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.325 1.659 19108 6487 1 8 . 1 1 33 33 LEU H H 33 9.232 9.232 9.009 0.223 19108 6488 1 8 . 1 1 34 34 CYS N N 34 125.975 125.975 125.493 0.482 19108 6489 1 8 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.005 0.001 19108 6490 1 8 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.724 0.422 19108 6491 1 8 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.735 0.567 19108 6492 1 8 . 1 1 34 34 CYS H H 34 9.640 9.640 8.821 0.819 19108 6493 1 8 . 1 1 35 35 TYR N N 35 121.183 121.183 123.037 -1.854 19108 6494 1 8 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.344 1.144 19108 6495 1 8 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.090 -0.308 19108 6496 1 8 . 1 1 35 35 TYR CB C 35 43.090 43.090 39.644 3.446 19108 6497 1 8 . 1 1 35 35 TYR H H 35 9.094 9.094 8.315 0.779 19108 6498 1 8 . 1 1 36 36 GLU N N 36 115.538 115.538 122.065 -6.527 19108 6499 1 8 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.834 0.601 19108 6500 1 8 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.615 0.776 19108 6501 1 8 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.884 -0.340 19108 6502 1 8 . 1 1 36 36 GLU H H 36 8.977 8.977 8.621 0.356 19108 6503 1 8 . 1 1 37 37 VAL N N 37 121.600 121.600 122.341 -0.741 19108 6504 1 8 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.631 0.528 19108 6505 1 8 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.842 0.206 19108 6506 1 8 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.708 0.362 19108 6507 1 8 . 1 1 37 37 VAL H H 37 9.271 9.271 8.850 0.421 19108 6508 1 8 . 1 1 38 38 GLU N N 38 125.227 125.227 126.847 -1.620 19108 6509 1 8 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.055 0.163 19108 6510 1 8 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.295 -1.043 19108 6511 1 8 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.134 1.793 19108 6512 1 8 . 1 1 38 38 GLU H H 38 9.114 9.114 8.534 0.580 19108 6513 1 8 . 1 1 39 39 ARG N N 39 124.872 124.872 125.909 -1.037 19108 6514 1 8 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.191 1.174 19108 6515 1 8 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.934 0.313 19108 6516 1 8 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.810 0.755 19108 6517 1 8 . 1 1 39 39 ARG H H 39 9.215 9.215 8.139 1.076 19108 6518 1 8 . 1 1 40 40 LEU N N 40 126.510 126.510 125.272 1.238 19108 6519 1 8 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.885 -0.132 19108 6520 1 8 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.185 0.138 19108 6521 1 8 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.356 -2.514 19108 6522 1 8 . 1 1 40 40 LEU H H 40 8.659 8.659 7.753 0.906 19108 6523 1 8 . 1 1 41 41 ASP N N 41 124.410 124.410 121.576 2.834 19108 6524 1 8 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.727 0.066 19108 6525 1 8 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.686 -0.468 19108 6526 1 8 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.181 -0.448 19108 6527 1 8 . 1 1 41 41 ASP H H 41 8.575 8.575 8.793 -0.218 19108 6528 1 8 . 1 1 42 42 ASN N N 42 123.319 123.319 123.750 -0.431 19108 6529 1 8 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.403 0.017 19108 6530 1 8 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.206 0.966 19108 6531 1 8 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.057 -0.210 19108 6532 1 8 . 1 1 42 42 ASN H H 42 9.048 9.048 8.588 0.460 19108 6533 1 8 . 1 1 43 43 GLY N N 43 106.044 106.044 104.564 1.480 19108 6534 1 8 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.398 -0.004 19108 6535 1 8 . 1 1 43 43 GLY H H 43 8.548 8.548 8.414 0.134 19108 6536 1 8 . 1 1 44 44 THR N N 44 115.893 115.893 117.586 -1.693 19108 6537 1 8 . 1 1 44 44 THR HA H 44 4.524 4.524 4.323 0.201 19108 6538 1 8 . 1 1 44 44 THR CA C 44 61.285 61.285 62.831 -1.546 19108 6539 1 8 . 1 1 44 44 THR CB C 44 70.572 70.572 69.683 0.889 19108 6540 1 8 . 1 1 44 44 THR H H 44 7.833 7.833 7.448 0.385 19108 6541 1 8 . 1 1 45 45 SER N N 45 119.589 119.589 119.152 0.437 19108 6542 1 8 . 1 1 45 45 SER HA H 45 4.804 4.804 4.625 0.179 19108 6543 1 8 . 1 1 45 45 SER CA C 45 58.080 58.080 57.330 0.750 19108 6544 1 8 . 1 1 45 45 SER CB C 45 64.265 64.265 64.582 -0.317 19108 6545 1 8 . 1 1 45 45 SER H H 45 8.590 8.590 8.366 0.224 19108 6546 1 8 . 1 1 46 46 VAL N N 46 125.827 125.827 124.919 0.908 19108 6547 1 8 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.229 0.064 19108 6548 1 8 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.803 0.040 19108 6549 1 8 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.451 0.066 19108 6550 1 8 . 1 1 46 46 VAL H H 46 9.034 9.034 8.341 0.693 19108 6551 1 8 . 1 1 47 47 LYS N N 47 126.528 126.528 127.651 -1.123 19108 6552 1 8 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.347 -0.062 19108 6553 1 8 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.182 1.483 19108 6554 1 8 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.325 -0.533 19108 6555 1 8 . 1 1 47 47 LYS H H 47 8.738 8.738 8.424 0.315 19108 6556 1 8 . 1 1 48 48 MET N N 48 122.645 122.645 125.472 -2.827 19108 6557 1 8 . 1 1 48 48 MET HA H 48 5.195 5.195 4.572 0.623 19108 6558 1 8 . 1 1 48 48 MET CA C 48 54.747 54.747 56.038 -1.291 19108 6559 1 8 . 1 1 48 48 MET CB C 48 32.379 32.379 33.670 -1.291 19108 6560 1 8 . 1 1 48 48 MET H H 48 8.334 8.334 8.273 0.061 19108 6561 1 8 . 1 1 49 49 ASP N N 49 123.713 123.713 120.094 3.619 19108 6562 1 8 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.587 -0.163 19108 6563 1 8 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.281 0.329 19108 6564 1 8 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.539 -0.505 19108 6565 1 8 . 1 1 49 49 ASP H H 49 8.575 8.575 8.792 -0.217 19108 6566 1 8 . 1 1 50 50 GLN N N 50 117.540 117.540 118.102 -0.562 19108 6567 1 8 . 1 1 50 50 GLN H H 50 9.110 9.110 8.322 0.788 19108 6568 1 8 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.797 0.354 19108 6569 1 8 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.140 -1.306 19108 6570 1 8 . 1 1 51 51 HIS H H 51 8.031 8.031 8.012 0.019 19108 6571 1 8 . 1 1 52 52 ARG N N 52 117.888 117.888 119.157 -1.269 19108 6572 1 8 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.458 0.779 19108 6573 1 8 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.665 0.390 19108 6574 1 8 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.297 0.756 19108 6575 1 8 . 1 1 52 52 ARG H H 52 7.685 7.685 7.448 0.237 19108 6576 1 8 . 1 1 53 53 GLY N N 53 108.573 108.573 105.471 3.102 19108 6577 1 8 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.117 0.591 19108 6578 1 8 . 1 1 53 53 GLY H H 53 7.529 7.529 7.252 0.277 19108 6579 1 8 . 1 1 54 54 PHE N N 54 113.146 113.146 115.409 -2.263 19108 6580 1 8 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.586 0.409 19108 6581 1 8 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.995 -0.139 19108 6582 1 8 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.051 2.312 19108 6583 1 8 . 1 1 54 54 PHE H H 54 8.287 8.287 7.889 0.398 19108 6584 1 8 . 1 1 55 55 LEU N N 55 119.389 119.389 119.823 -0.434 19108 6585 1 8 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.212 0.483 19108 6586 1 8 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.984 0.728 19108 6587 1 8 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.596 1.032 19108 6588 1 8 . 1 1 55 55 LEU H H 55 9.452 9.452 8.563 0.889 19108 6589 1 8 . 1 1 56 56 HIS N N 56 114.176 114.176 113.736 0.440 19108 6590 1 8 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.364 0.075 19108 6591 1 8 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.838 0.627 19108 6592 1 8 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.286 0.181 19108 6593 1 8 . 1 1 56 56 HIS H H 56 7.709 7.709 7.349 0.360 19108 6594 1 8 . 1 1 57 57 ASN N N 57 116.522 116.522 117.237 -0.715 19108 6595 1 8 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.317 0.098 19108 6596 1 8 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.110 0.074 19108 6597 1 8 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.590 0.072 19108 6598 1 8 . 1 1 57 57 ASN H H 57 8.684 8.684 8.394 0.290 19108 6599 1 8 . 1 1 58 58 GLN N N 58 122.850 122.850 123.405 -0.555 19108 6600 1 8 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.152 0.237 19108 6601 1 8 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.237 -1.384 19108 6602 1 8 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.786 0.596 19108 6603 1 8 . 1 1 58 58 GLN H H 58 9.099 9.099 8.053 1.046 19108 6604 1 8 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.068 0.232 19108 6605 1 8 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.860 -0.356 19108 6606 1 8 . 1 1 59 59 ALA CB C 59 19.421 19.421 17.754 1.667 19108 6607 1 8 . 1 1 60 60 LYS N N 60 119.998 119.998 123.072 -3.074 19108 6608 1 8 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.194 -0.418 19108 6609 1 8 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.573 -0.272 19108 6610 1 8 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.627 -0.811 19108 6611 1 8 . 1 1 60 60 LYS H H 60 8.344 8.344 8.170 0.174 19108 6612 1 8 . 1 1 61 61 ASN N N 61 119.688 119.688 121.535 -1.847 19108 6613 1 8 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.700 -0.245 19108 6614 1 8 . 1 1 61 61 ASN CA C 61 52.904 52.904 54.250 -1.346 19108 6615 1 8 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.671 -0.134 19108 6616 1 8 . 1 1 61 61 ASN H H 61 8.643 8.643 7.955 0.688 19108 6617 1 8 . 1 1 62 62 LEU N N 62 124.761 124.761 120.349 4.412 19108 6618 1 8 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.449 -0.515 19108 6619 1 8 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.465 0.780 19108 6620 1 8 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.842 -0.899 19108 6621 1 8 . 1 1 62 62 LEU H H 62 8.873 8.873 8.346 0.527 19108 6622 1 8 . 1 1 63 63 LEU N N 63 120.312 120.312 120.382 -0.070 19108 6623 1 8 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.456 -0.257 19108 6624 1 8 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.427 -0.350 19108 6625 1 8 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.952 -0.695 19108 6626 1 8 . 1 1 63 63 LEU H H 63 8.145 8.145 8.157 -0.012 19108 6627 1 8 . 1 1 64 64 CYS N N 64 113.898 113.898 116.001 -2.103 19108 6628 1 8 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.701 -0.530 19108 6629 1 8 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.720 -0.936 19108 6630 1 8 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.556 -0.838 19108 6631 1 8 . 1 1 64 64 CYS H H 64 7.376 7.376 8.061 -0.685 19108 6632 1 8 . 1 1 65 65 GLY N N 65 108.894 108.894 108.876 0.018 19108 6633 1 8 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.567 0.416 19108 6634 1 8 . 1 1 65 65 GLY H H 65 7.789 7.789 8.000 -0.211 19108 6635 1 8 . 1 1 66 66 PHE N N 66 118.711 118.711 118.034 0.677 19108 6636 1 8 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.672 -0.755 19108 6637 1 8 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.609 -2.670 19108 6638 1 8 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.528 -0.260 19108 6639 1 8 . 1 1 66 66 PHE H H 66 7.699 7.699 7.795 -0.096 19108 6640 1 8 . 1 1 67 67 TYR N N 67 124.623 124.623 122.174 2.449 19108 6641 1 8 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.402 -0.102 19108 6642 1 8 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.748 0.016 19108 6643 1 8 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.639 -0.486 19108 6644 1 8 . 1 1 67 67 TYR H H 67 8.568 8.568 8.473 0.095 19108 6645 1 8 . 1 1 69 69 ARG N N 69 121.427 121.427 120.645 0.782 19108 6646 1 8 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.349 2.708 19108 6647 1 8 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.833 -1.536 19108 6648 1 8 . 1 1 69 69 ARG H H 69 8.313 8.313 8.142 0.171 19108 6649 1 8 . 1 1 70 70 HIS N N 70 128.351 128.351 119.861 8.490 19108 6650 1 8 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.428 0.354 19108 6651 1 8 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.866 0.850 19108 6652 1 8 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.138 1.638 19108 6653 1 8 . 1 1 70 70 HIS H H 70 9.182 9.182 8.017 1.165 19108 6654 1 8 . 1 1 71 71 ALA N N 71 125.649 125.649 123.457 2.192 19108 6655 1 8 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.025 -0.668 19108 6656 1 8 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.116 0.666 19108 6657 1 8 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.896 -0.886 19108 6658 1 8 . 1 1 71 71 ALA H H 71 8.968 8.968 8.922 0.046 19108 6659 1 8 . 1 1 72 72 GLU N N 72 119.941 119.941 118.972 0.969 19108 6660 1 8 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.739 -0.762 19108 6661 1 8 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.227 1.729 19108 6662 1 8 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.881 -0.875 19108 6663 1 8 . 1 1 72 72 GLU H H 72 12.692 12.692 8.188 4.504 19108 6664 1 8 . 1 1 73 73 LEU N N 73 114.882 114.882 119.997 -5.115 19108 6665 1 8 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.869 -0.284 19108 6666 1 8 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.603 -1.942 19108 6667 1 8 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.377 -2.132 19108 6668 1 8 . 1 1 73 73 LEU H H 73 6.637 6.637 8.230 -1.593 19108 6669 1 8 . 1 1 74 74 ARG N N 74 117.799 117.799 118.605 -0.806 19108 6670 1 8 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.997 0.045 19108 6671 1 8 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.795 -0.620 19108 6672 1 8 . 1 1 74 74 ARG H H 74 7.556 7.556 7.440 0.116 19108 6673 1 8 . 1 1 75 75 PHE N N 75 119.783 119.783 120.269 -0.486 19108 6674 1 8 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.002 -0.441 19108 6675 1 8 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.696 0.978 19108 6676 1 8 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.767 -0.729 19108 6677 1 8 . 1 1 75 75 PHE H H 75 8.233 8.233 7.526 0.707 19108 6678 1 8 . 1 1 76 76 LEU N N 76 119.526 119.526 118.623 0.903 19108 6679 1 8 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.409 0.149 19108 6680 1 8 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.141 0.899 19108 6681 1 8 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.901 -2.885 19108 6682 1 8 . 1 1 76 76 LEU H H 76 7.629 7.629 8.324 -0.695 19108 6683 1 8 . 1 1 77 77 ASP N N 77 118.215 118.215 118.752 -0.537 19108 6684 1 8 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.355 -0.197 19108 6685 1 8 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.910 -0.510 19108 6686 1 8 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.422 -1.054 19108 6687 1 8 . 1 1 77 77 ASP H H 77 8.190 8.190 7.648 0.542 19108 6688 1 8 . 1 1 78 78 LEU N N 78 117.496 117.496 114.918 2.578 19108 6689 1 8 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.616 -0.326 19108 6690 1 8 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.035 -0.050 19108 6691 1 8 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.606 0.795 19108 6692 1 8 . 1 1 78 78 LEU H H 78 7.252 7.252 7.354 -0.102 19108 6693 1 8 . 1 1 79 79 VAL N N 79 120.915 120.915 123.342 -2.427 19108 6694 1 8 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.459 -0.236 19108 6695 1 8 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.017 0.511 19108 6696 1 8 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.262 -0.142 19108 6697 1 8 . 1 1 79 79 VAL H H 79 7.179 7.179 7.211 -0.032 19108 6698 1 8 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.346 -0.371 19108 6699 1 8 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.630 1.157 19108 6700 1 8 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.911 -1.103 19108 6701 1 8 . 1 1 81 81 SER N N 81 112.727 112.727 114.490 -1.763 19108 6702 1 8 . 1 1 81 81 SER HA H 81 4.314 4.314 4.195 0.119 19108 6703 1 8 . 1 1 81 81 SER CA C 81 60.618 60.618 60.932 -0.314 19108 6704 1 8 . 1 1 81 81 SER CB C 81 63.450 63.450 62.410 1.040 19108 6705 1 8 . 1 1 81 81 SER H H 81 7.828 7.828 7.594 0.234 19108 6706 1 8 . 1 1 82 82 LEU N N 82 120.918 120.918 119.098 1.820 19108 6707 1 8 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.420 -0.546 19108 6708 1 8 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.475 0.017 19108 6709 1 8 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.749 -2.538 19108 6710 1 8 . 1 1 82 82 LEU H H 82 7.912 7.912 7.475 0.437 19108 6711 1 8 . 1 1 83 83 GLN N N 83 111.397 111.397 116.676 -5.279 19108 6712 1 8 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.980 -0.172 19108 6713 1 8 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.667 0.499 19108 6714 1 8 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.965 -0.297 19108 6715 1 8 . 1 1 83 83 GLN H H 83 7.458 7.458 7.682 -0.224 19108 6716 1 8 . 1 1 84 84 LEU N N 84 118.520 118.520 121.196 -2.676 19108 6717 1 8 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.160 -0.441 19108 6718 1 8 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.994 -1.252 19108 6719 1 8 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.771 -2.526 19108 6720 1 8 . 1 1 84 84 LEU H H 84 8.736 8.736 8.164 0.572 19108 6721 1 8 . 1 1 85 85 ASP N N 85 126.187 126.187 125.572 0.615 19108 6722 1 8 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.825 0.058 19108 6723 1 8 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.951 -0.605 19108 6724 1 8 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.791 1.157 19108 6725 1 8 . 1 1 85 85 ASP H H 85 8.415 8.415 8.219 0.196 19108 6726 1 8 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.178 -0.251 19108 6727 1 8 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.279 0.359 19108 6728 1 8 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.727 -0.441 19108 6729 1 8 . 1 1 87 87 ALA N N 87 121.030 121.030 122.960 -1.930 19108 6730 1 8 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.035 0.383 19108 6731 1 8 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.322 -2.150 19108 6732 1 8 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.772 0.576 19108 6733 1 8 . 1 1 87 87 ALA H H 87 8.504 8.504 8.138 0.366 19108 6734 1 8 . 1 1 88 88 GLN N N 88 119.601 119.601 116.191 3.410 19108 6735 1 8 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.471 0.051 19108 6736 1 8 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.391 -0.957 19108 6737 1 8 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.502 -0.453 19108 6738 1 8 . 1 1 88 88 GLN H H 88 8.125 8.125 8.196 -0.071 19108 6739 1 8 . 1 1 89 89 ILE N N 89 118.195 118.195 119.700 -1.505 19108 6740 1 8 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.227 0.742 19108 6741 1 8 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.724 -1.183 19108 6742 1 8 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.788 0.465 19108 6743 1 8 . 1 1 89 89 ILE H H 89 8.099 8.099 8.338 -0.239 19108 6744 1 8 . 1 1 90 90 TYR N N 90 122.421 122.421 123.344 -0.923 19108 6745 1 8 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.899 0.462 19108 6746 1 8 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.149 -1.109 19108 6747 1 8 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.642 -0.816 19108 6748 1 8 . 1 1 90 90 TYR H H 90 8.892 8.892 8.042 0.850 19108 6749 1 8 . 1 1 91 91 ARG N N 91 121.043 121.043 121.547 -0.504 19108 6750 1 8 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.045 0.198 19108 6751 1 8 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.099 -1.564 19108 6752 1 8 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.554 -0.422 19108 6753 1 8 . 1 1 91 91 ARG H H 91 9.327 9.327 8.581 0.746 19108 6754 1 8 . 1 1 92 92 VAL N N 92 132.287 132.287 128.971 3.316 19108 6755 1 8 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.960 -0.036 19108 6756 1 8 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.849 -0.945 19108 6757 1 8 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.517 -0.664 19108 6758 1 8 . 1 1 92 92 VAL H H 92 9.668 9.668 9.017 0.651 19108 6759 1 8 . 1 1 93 93 THR N N 93 124.468 124.468 124.161 0.307 19108 6760 1 8 . 1 1 93 93 THR HA H 93 5.264 5.264 4.701 0.563 19108 6761 1 8 . 1 1 93 93 THR CA C 93 61.616 61.616 62.764 -1.148 19108 6762 1 8 . 1 1 93 93 THR CB C 93 70.082 70.082 70.089 -0.007 19108 6763 1 8 . 1 1 93 93 THR H H 93 9.381 9.381 8.387 0.994 19108 6764 1 8 . 1 1 94 94 TRP N N 94 124.491 124.491 128.800 -4.309 19108 6765 1 8 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.814 0.852 19108 6766 1 8 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.962 -2.757 19108 6767 1 8 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.584 3.084 19108 6768 1 8 . 1 1 94 94 TRP H H 94 9.071 9.071 9.234 -0.163 19108 6769 1 8 . 1 1 95 95 PHE N N 95 122.179 122.179 122.920 -0.741 19108 6770 1 8 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.949 0.721 19108 6771 1 8 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.157 -0.383 19108 6772 1 8 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.099 -0.650 19108 6773 1 8 . 1 1 95 95 PHE H H 95 9.578 9.578 8.334 1.244 19108 6774 1 8 . 1 1 96 96 ILE N N 96 125.072 125.072 121.972 3.100 19108 6775 1 8 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.314 0.659 19108 6776 1 8 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.687 -1.260 19108 6777 1 8 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.211 4.862 19108 6778 1 8 . 1 1 96 96 ILE H H 96 9.816 9.816 9.230 0.586 19108 6779 1 8 . 1 1 97 97 SER N N 97 124.020 124.020 118.879 5.141 19108 6780 1 8 . 1 1 97 97 SER HA H 97 3.623 3.623 4.743 -1.120 19108 6781 1 8 . 1 1 97 97 SER CA C 97 61.750 61.750 59.890 1.860 19108 6782 1 8 . 1 1 97 97 SER CB C 97 63.711 63.711 63.921 -0.210 19108 6783 1 8 . 1 1 97 97 SER H H 97 9.156 9.156 8.539 0.617 19108 6784 1 8 . 1 1 98 98 TRP N N 98 114.829 114.829 121.736 -6.907 19108 6785 1 8 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.226 0.113 19108 6786 1 8 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.361 -2.690 19108 6787 1 8 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.558 3.193 19108 6788 1 8 . 1 1 98 98 TRP H H 98 6.619 6.619 7.801 -1.182 19108 6789 1 8 . 1 1 99 99 SER N N 99 115.444 115.444 119.308 -3.864 19108 6790 1 8 . 1 1 99 99 SER CA C 99 58.045 58.045 57.865 0.180 19108 6791 1 8 . 1 1 99 99 SER CB C 99 61.927 61.927 63.315 -1.388 19108 6792 1 8 . 1 1 99 99 SER H H 99 8.590 8.590 8.028 0.562 19108 6793 1 8 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.828 -0.903 19108 6794 1 8 . 1 1 100 100 PRO CB C 100 34.796 34.796 33.144 1.652 19108 6795 1 8 . 1 1 101 101 CYS N N 101 121.768 121.768 115.618 6.150 19108 6796 1 8 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.019 1.640 19108 6797 1 8 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.977 1.212 19108 6798 1 8 . 1 1 101 101 CYS H H 101 8.686 8.686 7.818 0.868 19108 6799 1 8 . 1 1 102 102 PHE N N 102 115.031 115.031 121.928 -6.897 19108 6800 1 8 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.158 1.802 19108 6801 1 8 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.814 1.343 19108 6802 1 8 . 1 1 102 102 PHE H H 102 9.318 9.318 8.719 0.599 19108 6803 1 8 . 1 1 103 103 SER N N 103 119.552 119.552 120.481 -0.929 19108 6804 1 8 . 1 1 103 103 SER HA H 103 3.713 3.713 4.254 -0.541 19108 6805 1 8 . 1 1 103 103 SER CA C 103 63.368 63.368 62.199 1.169 19108 6806 1 8 . 1 1 103 103 SER CB C 103 60.539 60.539 63.240 -2.701 19108 6807 1 8 . 1 1 103 103 SER H H 103 10.858 10.858 8.830 2.028 19108 6808 1 8 . 1 1 104 104 TRP N N 104 117.909 117.909 121.211 -3.302 19108 6809 1 8 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.771 -0.995 19108 6810 1 8 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.629 -0.415 19108 6811 1 8 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.049 -1.163 19108 6812 1 8 . 1 1 104 104 TRP H H 104 7.880 7.880 8.428 -0.548 19108 6813 1 8 . 1 1 105 105 GLY N N 105 106.359 106.359 108.055 -1.696 19108 6814 1 8 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.166 -1.085 19108 6815 1 8 . 1 1 105 105 GLY H H 105 7.468 7.468 8.914 -1.446 19108 6816 1 8 . 1 1 106 106 CYS N N 106 120.359 120.359 120.408 -0.049 19108 6817 1 8 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.494 -0.635 19108 6818 1 8 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.479 5.623 19108 6819 1 8 . 1 1 106 106 CYS CB C 106 28.718 28.718 25.952 2.766 19108 6820 1 8 . 1 1 106 106 CYS H H 106 7.366 7.366 7.872 -0.506 19108 6821 1 8 . 1 1 107 107 ALA N N 107 119.725 119.725 124.524 -4.799 19108 6822 1 8 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.002 -0.137 19108 6823 1 8 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.345 1.589 19108 6824 1 8 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.249 0.194 19108 6825 1 8 . 1 1 107 107 ALA H H 107 8.719 8.719 8.562 0.157 19108 6826 1 8 . 1 1 108 108 GLY N N 108 103.829 103.829 106.619 -2.790 19108 6827 1 8 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.227 -0.333 19108 6828 1 8 . 1 1 108 108 GLY H H 108 8.555 8.555 8.447 0.108 19108 6829 1 8 . 1 1 109 109 GLU N N 109 123.162 123.162 122.057 1.105 19108 6830 1 8 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.862 0.404 19108 6831 1 8 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.225 0.067 19108 6832 1 8 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.233 1.149 19108 6833 1 8 . 1 1 109 109 GLU H H 109 8.023 8.023 7.503 0.520 19108 6834 1 8 . 1 1 110 110 VAL N N 110 121.866 121.866 119.849 2.017 19108 6835 1 8 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.709 -0.010 19108 6836 1 8 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.920 1.123 19108 6837 1 8 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.358 -0.352 19108 6838 1 8 . 1 1 110 110 VAL H H 110 8.942 8.942 8.238 0.704 19108 6839 1 8 . 1 1 111 111 ARG N N 111 120.587 120.587 120.662 -0.075 19108 6840 1 8 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.743 0.043 19108 6841 1 8 . 1 1 111 111 ARG CA C 111 60.081 60.081 60.095 -0.014 19108 6842 1 8 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.082 -0.907 19108 6843 1 8 . 1 1 111 111 ARG H H 111 8.653 8.653 8.534 0.119 19108 6844 1 8 . 1 1 112 112 ALA N N 112 120.687 120.687 121.229 -0.542 19108 6845 1 8 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.969 0.165 19108 6846 1 8 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.176 0.242 19108 6847 1 8 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.312 -0.321 19108 6848 1 8 . 1 1 112 112 ALA H H 112 7.875 7.875 7.814 0.061 19108 6849 1 8 . 1 1 113 113 PHE N N 113 118.950 118.950 118.898 0.052 19108 6850 1 8 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.073 0.264 19108 6851 1 8 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.460 -0.084 19108 6852 1 8 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.185 0.202 19108 6853 1 8 . 1 1 113 113 PHE H H 113 8.139 8.139 7.610 0.529 19108 6854 1 8 . 1 1 114 114 LEU N N 114 120.595 120.595 119.736 0.859 19108 6855 1 8 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.911 -0.111 19108 6856 1 8 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.985 -0.852 19108 6857 1 8 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.776 -0.867 19108 6858 1 8 . 1 1 114 114 LEU H H 114 8.639 8.639 8.247 0.392 19108 6859 1 8 . 1 1 115 115 GLN N N 115 117.666 117.666 118.152 -0.486 19108 6860 1 8 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.927 0.096 19108 6861 1 8 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.579 -0.193 19108 6862 1 8 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.391 0.147 19108 6863 1 8 . 1 1 115 115 GLN H H 115 8.167 8.167 8.513 -0.346 19108 6864 1 8 . 1 1 116 116 GLU N N 116 115.380 115.380 117.496 -2.116 19108 6865 1 8 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.288 0.034 19108 6866 1 8 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.254 0.808 19108 6867 1 8 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.952 -0.237 19108 6868 1 8 . 1 1 116 116 GLU H H 116 7.448 7.448 7.699 -0.251 19108 6869 1 8 . 1 1 117 117 ASN N N 117 119.831 119.831 117.381 2.450 19108 6870 1 8 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.768 0.297 19108 6871 1 8 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.409 -0.224 19108 6872 1 8 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.343 -1.097 19108 6873 1 8 . 1 1 117 117 ASN H H 117 7.632 7.632 7.976 -0.344 19108 6874 1 8 . 1 1 118 118 THR N N 118 111.041 111.041 115.109 -4.068 19108 6875 1 8 . 1 1 118 118 THR HA H 118 4.317 4.317 4.186 0.131 19108 6876 1 8 . 1 1 118 118 THR CA C 118 64.081 64.081 63.732 0.349 19108 6877 1 8 . 1 1 118 118 THR CB C 118 68.767 68.767 68.208 0.559 19108 6878 1 8 . 1 1 118 118 THR H H 118 8.054 8.054 7.954 0.100 19108 6879 1 8 . 1 1 119 119 HIS N N 119 120.403 120.403 116.395 4.008 19108 6880 1 8 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.599 -0.310 19108 6881 1 8 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.853 0.748 19108 6882 1 8 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.486 0.834 19108 6883 1 8 . 1 1 119 119 HIS H H 119 9.248 9.248 8.062 1.186 19108 6884 1 8 . 1 1 120 120 VAL N N 120 120.001 120.001 118.400 1.601 19108 6885 1 8 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.629 -0.103 19108 6886 1 8 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.653 2.237 19108 6887 1 8 . 1 1 120 120 VAL CB C 120 32.995 32.995 33.884 -0.889 19108 6888 1 8 . 1 1 120 120 VAL H H 120 7.379 7.379 7.379 -0.000 19108 6889 1 8 . 1 1 121 121 ARG N N 121 125.312 125.312 127.225 -1.913 19108 6890 1 8 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.501 0.309 19108 6891 1 8 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.451 -2.384 19108 6892 1 8 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.468 -1.888 19108 6893 1 8 . 1 1 121 121 ARG H H 121 8.775 8.775 8.508 0.267 19108 6894 1 8 . 1 1 122 122 LEU N N 122 125.483 125.483 123.001 2.482 19108 6895 1 8 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.306 -0.146 19108 6896 1 8 . 1 1 122 122 LEU CA C 122 53.301 53.301 52.979 0.322 19108 6897 1 8 . 1 1 122 122 LEU CB C 122 46.672 46.672 45.335 1.337 19108 6898 1 8 . 1 1 122 122 LEU H H 122 9.345 9.345 8.714 0.631 19108 6899 1 8 . 1 1 123 123 ARG N N 123 127.748 127.748 123.884 3.864 19108 6900 1 8 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.372 0.364 19108 6901 1 8 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.319 -0.152 19108 6902 1 8 . 1 1 123 123 ARG CB C 123 32.812 32.812 31.746 1.066 19108 6903 1 8 . 1 1 123 123 ARG H H 123 9.053 9.053 8.515 0.537 19108 6904 1 8 . 1 1 124 124 ILE N N 124 123.665 123.665 123.535 0.130 19108 6905 1 8 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.186 0.256 19108 6906 1 8 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.524 2.235 19108 6907 1 8 . 1 1 124 124 ILE CB C 124 41.893 41.893 38.363 3.530 19108 6908 1 8 . 1 1 124 124 ILE H H 124 9.019 9.019 8.537 0.482 19108 6909 1 8 . 1 1 125 125 PHE N N 125 126.320 126.320 126.302 0.018 19108 6910 1 8 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.433 -0.268 19108 6911 1 8 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.563 0.351 19108 6912 1 8 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.389 -0.570 19108 6913 1 8 . 1 1 125 125 PHE H H 125 9.359 9.359 8.144 1.215 19108 6914 1 8 . 1 1 126 126 ALA N N 126 124.526 124.526 127.700 -3.174 19108 6915 1 8 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.082 0.734 19108 6916 1 8 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.382 -1.512 19108 6917 1 8 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.815 0.519 19108 6918 1 8 . 1 1 126 126 ALA H H 126 9.091 9.091 8.552 0.539 19108 6919 1 8 . 1 1 127 127 ALA N N 127 126.272 126.272 128.435 -2.163 19108 6920 1 8 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.579 0.172 19108 6921 1 8 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.582 1.886 19108 6922 1 8 . 1 1 127 127 ALA CB C 127 19.605 19.605 20.007 -0.402 19108 6923 1 8 . 1 1 127 127 ALA H H 127 9.049 9.049 9.190 -0.141 19108 6924 1 8 . 1 1 128 128 ARG N N 128 108.570 108.570 118.386 -9.816 19108 6925 1 8 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.374 0.040 19108 6926 1 8 . 1 1 128 128 ARG CB C 128 37.206 37.206 32.985 4.221 19108 6927 1 8 . 1 1 128 128 ARG H H 128 6.741 6.741 7.872 -1.131 19108 6928 1 8 . 1 1 129 129 ILE N N 129 121.285 121.285 122.805 -1.520 19108 6929 1 8 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.308 -0.017 19108 6930 1 8 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.700 0.167 19108 6931 1 8 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.523 0.306 19108 6932 1 8 . 1 1 129 129 ILE H H 129 8.340 8.340 8.335 0.005 19108 6933 1 8 . 1 1 130 130 TYR N N 130 130.143 130.143 126.420 3.723 19108 6934 1 8 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.305 1.030 19108 6935 1 8 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.801 -0.875 19108 6936 1 8 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.917 -2.754 19108 6937 1 8 . 1 1 130 130 TYR H H 130 8.870 8.870 8.428 0.442 19108 6938 1 8 . 1 1 131 131 ASP N N 131 123.662 123.662 122.587 1.075 19108 6939 1 8 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.746 -1.079 19108 6940 1 8 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.952 0.761 19108 6941 1 8 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.080 -4.179 19108 6942 1 8 . 1 1 131 131 ASP H H 131 8.123 8.123 8.127 -0.004 19108 6943 1 8 . 1 1 132 132 TYR N N 132 116.852 116.852 117.086 -0.234 19108 6944 1 8 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.721 -0.806 19108 6945 1 8 . 1 1 132 132 TYR CA C 132 59.468 59.468 57.955 1.513 19108 6946 1 8 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.396 0.641 19108 6947 1 8 . 1 1 132 132 TYR H H 132 6.448 6.448 7.331 -0.883 19108 6948 1 8 . 1 1 133 133 ASP N N 133 116.930 116.930 121.481 -4.551 19108 6949 1 8 . 1 1 133 133 ASP CA C 133 50.165 50.165 50.972 -0.807 19108 6950 1 8 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.643 2.139 19108 6951 1 8 . 1 1 133 133 ASP H H 133 7.005 7.005 7.539 -0.534 19108 6952 1 8 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.398 -0.295 19108 6953 1 8 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.359 -0.658 19108 6954 1 8 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.032 0.058 19108 6955 1 8 . 1 1 135 135 LEU N N 135 120.252 120.252 118.140 2.112 19108 6956 1 8 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.921 0.777 19108 6957 1 8 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.750 -2.369 19108 6958 1 8 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.110 -1.366 19108 6959 1 8 . 1 1 135 135 LEU H H 135 8.456 8.456 7.932 0.524 19108 6960 1 8 . 1 1 136 136 TYR N N 136 117.432 117.432 118.564 -1.132 19108 6961 1 8 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.007 0.054 19108 6962 1 8 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.753 1.305 19108 6963 1 8 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.078 0.502 19108 6964 1 8 . 1 1 136 136 TYR H H 136 8.028 8.028 7.758 0.270 19108 6965 1 8 . 1 1 137 137 LYS N N 137 122.000 122.000 118.984 3.016 19108 6966 1 8 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.096 1.203 19108 6967 1 8 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.648 -0.850 19108 6968 1 8 . 1 1 137 137 LYS H H 137 7.503 7.503 7.134 0.369 19108 6969 1 8 . 1 1 138 138 GLU N N 138 121.833 121.833 119.022 2.811 19108 6970 1 8 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.288 0.553 19108 6971 1 8 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.217 -1.748 19108 6972 1 8 . 1 1 138 138 GLU H H 138 8.752 8.752 7.740 1.012 19108 6973 1 8 . 1 1 139 139 ALA N N 139 119.592 119.592 121.375 -1.783 19108 6974 1 8 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.164 -0.318 19108 6975 1 8 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.100 0.040 19108 6976 1 8 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.513 1.742 19108 6977 1 8 . 1 1 139 139 ALA H H 139 7.682 7.682 7.670 0.012 19108 6978 1 8 . 1 1 140 140 LEU N N 140 116.268 116.268 119.817 -3.549 19108 6979 1 8 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.194 -0.001 19108 6980 1 8 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.625 -0.530 19108 6981 1 8 . 1 1 140 140 LEU H H 140 7.175 7.175 7.704 -0.529 19108 6982 1 8 . 1 1 141 141 GLN N N 141 117.550 117.550 117.704 -0.154 19108 6983 1 8 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.047 -0.328 19108 6984 1 8 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.935 1.116 19108 6985 1 8 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.291 -0.697 19108 6986 1 8 . 1 1 141 141 GLN H H 141 8.322 8.322 7.749 0.573 19108 6987 1 8 . 1 1 142 142 MET N N 142 118.520 118.520 119.500 -0.980 19108 6988 1 8 . 1 1 142 142 MET HA H 142 4.135 4.135 4.084 0.051 19108 6989 1 8 . 1 1 142 142 MET CA C 142 59.051 59.051 58.860 0.191 19108 6990 1 8 . 1 1 142 142 MET CB C 142 33.170 33.170 32.685 0.485 19108 6991 1 8 . 1 1 142 142 MET H H 142 8.241 8.241 8.164 0.077 19108 6992 1 8 . 1 1 143 143 LEU N N 143 118.659 118.659 118.497 0.162 19108 6993 1 8 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.082 0.210 19108 6994 1 8 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.756 0.359 19108 6995 1 8 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.782 -0.405 19108 6996 1 8 . 1 1 143 143 LEU H H 143 7.932 7.932 8.233 -0.301 19108 6997 1 8 . 1 1 144 144 ARG N N 144 121.294 121.294 119.415 1.879 19108 6998 1 8 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.948 0.478 19108 6999 1 8 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.160 -0.171 19108 7000 1 8 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.981 -1.873 19108 7001 1 8 . 1 1 144 144 ARG H H 144 7.968 7.968 7.665 0.303 19108 7002 1 8 . 1 1 145 145 ASP N N 145 122.553 122.553 116.925 5.628 19108 7003 1 8 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.543 -0.114 19108 7004 1 8 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.525 1.053 19108 7005 1 8 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.163 -1.573 19108 7006 1 8 . 1 1 145 145 ASP H H 145 8.868 8.868 7.851 1.017 19108 7007 1 8 . 1 1 146 146 ALA N N 146 120.102 120.102 121.944 -1.842 19108 7008 1 8 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.345 0.073 19108 7009 1 8 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.371 -0.337 19108 7010 1 8 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.318 -1.023 19108 7011 1 8 . 1 1 146 146 ALA H H 146 7.737 7.737 7.783 -0.046 19108 7012 1 8 . 1 1 147 147 GLY N N 147 105.039 105.039 106.644 -1.605 19108 7013 1 8 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.032 -0.168 19108 7014 1 8 . 1 1 147 147 GLY H H 147 7.966 7.966 7.684 0.282 19108 7015 1 8 . 1 1 148 148 ALA N N 148 124.181 124.181 122.190 1.991 19108 7016 1 8 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.797 -0.108 19108 7017 1 8 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.824 0.635 19108 7018 1 8 . 1 1 148 148 ALA CB C 148 18.479 18.479 22.063 -3.584 19108 7019 1 8 . 1 1 148 148 ALA H H 148 8.051 8.051 7.655 0.396 19108 7020 1 8 . 1 1 149 149 GLN N N 149 122.185 122.185 119.121 3.064 19108 7021 1 8 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.616 -0.177 19108 7022 1 8 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.544 0.411 19108 7023 1 8 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.554 -1.133 19108 7024 1 8 . 1 1 149 149 GLN H H 149 7.953 7.953 8.116 -0.163 19108 7025 1 8 . 1 1 150 150 VAL N N 150 127.399 127.399 124.912 2.487 19108 7026 1 8 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.686 0.066 19108 7027 1 8 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.258 0.181 19108 7028 1 8 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.355 0.823 19108 7029 1 8 . 1 1 150 150 VAL H H 150 8.658 8.658 8.545 0.113 19108 7030 1 8 . 1 1 151 151 SER N N 151 120.616 120.616 121.204 -0.588 19108 7031 1 8 . 1 1 151 151 SER HA H 151 5.179 5.179 4.912 0.267 19108 7032 1 8 . 1 1 151 151 SER CA C 151 56.981 56.981 56.753 0.228 19108 7033 1 8 . 1 1 151 151 SER CB C 151 66.538 66.538 66.105 0.433 19108 7034 1 8 . 1 1 151 151 SER H H 151 8.737 8.737 8.410 0.327 19108 7035 1 8 . 1 1 152 152 ILE N N 152 123.180 123.180 121.501 1.679 19108 7036 1 8 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.617 0.530 19108 7037 1 8 . 1 1 152 152 ILE CA C 152 56.518 56.518 58.890 -2.372 19108 7038 1 8 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.154 -1.074 19108 7039 1 8 . 1 1 152 152 ILE H H 152 8.672 8.672 8.569 0.103 19108 7040 1 8 . 1 1 153 153 MET N N 153 123.477 123.477 127.701 -4.224 19108 7041 1 8 . 1 1 153 153 MET HA H 153 3.886 3.886 4.137 -0.251 19108 7042 1 8 . 1 1 153 153 MET CA C 153 59.053 59.053 56.655 2.398 19108 7043 1 8 . 1 1 153 153 MET CB C 153 34.793 34.793 32.650 2.143 19108 7044 1 8 . 1 1 153 153 MET H H 153 8.314 8.314 8.229 0.085 19108 7045 1 8 . 1 1 154 154 THR N N 154 117.621 117.621 115.561 2.060 19108 7046 1 8 . 1 1 154 154 THR HA H 154 4.951 4.951 4.830 0.121 19108 7047 1 8 . 1 1 154 154 THR CA C 154 60.436 60.436 59.916 0.520 19108 7048 1 8 . 1 1 154 154 THR CB C 154 72.370 72.370 71.972 0.397 19108 7049 1 8 . 1 1 154 154 THR H H 154 9.630 9.630 7.899 1.731 19108 7050 1 8 . 1 1 155 155 TYR N N 155 121.751 121.751 124.034 -2.283 19108 7051 1 8 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.157 -0.058 19108 7052 1 8 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.392 2.047 19108 7053 1 8 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.301 0.985 19108 7054 1 8 . 1 1 155 155 TYR H H 155 9.769 9.769 9.160 0.609 19108 7055 1 8 . 1 1 156 156 ASP N N 156 115.555 115.555 117.687 -2.132 19108 7056 1 8 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.226 -0.118 19108 7057 1 8 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.093 0.167 19108 7058 1 8 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.511 0.107 19108 7059 1 8 . 1 1 156 156 ASP H H 156 8.230 8.230 8.514 -0.284 19108 7060 1 8 . 1 1 157 157 GLU N N 157 117.678 117.678 120.262 -2.584 19108 7061 1 8 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.037 -0.167 19108 7062 1 8 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.297 1.210 19108 7063 1 8 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.517 1.531 19108 7064 1 8 . 1 1 157 157 GLU H H 157 7.470 7.470 7.564 -0.094 19108 7065 1 8 . 1 1 158 158 PHE N N 158 119.869 119.869 119.152 0.717 19108 7066 1 8 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.138 -0.309 19108 7067 1 8 . 1 1 158 158 PHE CA C 158 62.776 62.776 62.004 0.772 19108 7068 1 8 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.752 1.155 19108 7069 1 8 . 1 1 158 158 PHE H H 158 8.077 8.077 8.780 -0.703 19108 7070 1 8 . 1 1 159 159 LYS N N 159 118.859 118.859 119.746 -0.887 19108 7071 1 8 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.870 0.047 19108 7072 1 8 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.257 -1.026 19108 7073 1 8 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.184 -0.221 19108 7074 1 8 . 1 1 159 159 LYS H H 159 8.273 8.273 7.681 0.592 19108 7075 1 8 . 1 1 160 160 HIS N N 160 115.889 115.889 119.386 -3.497 19108 7076 1 8 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.204 -0.045 19108 7077 1 8 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.249 0.732 19108 7078 1 8 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.381 -1.451 19108 7079 1 8 . 1 1 160 160 HIS H H 160 7.695 7.695 7.767 -0.072 19108 7080 1 8 . 1 1 161 161 CYS N N 161 118.188 118.188 118.614 -0.426 19108 7081 1 8 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.238 0.551 19108 7082 1 8 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.079 0.715 19108 7083 1 8 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.214 1.672 19108 7084 1 8 . 1 1 161 161 CYS H H 161 7.885 7.885 8.069 -0.184 19108 7085 1 8 . 1 1 162 162 TRP N N 162 122.741 122.741 122.010 0.731 19108 7086 1 8 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.398 0.366 19108 7087 1 8 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.632 0.085 19108 7088 1 8 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.871 -0.278 19108 7089 1 8 . 1 1 162 162 TRP H H 162 8.040 8.040 8.030 0.010 19108 7090 1 8 . 1 1 163 163 ASP N N 163 113.796 113.796 116.713 -2.917 19108 7091 1 8 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.317 0.809 19108 7092 1 8 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.987 0.942 19108 7093 1 8 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.114 0.421 19108 7094 1 8 . 1 1 163 163 ASP H H 163 8.319 8.319 8.185 0.134 19108 7095 1 8 . 1 1 164 164 THR N N 164 112.008 112.008 115.310 -3.302 19108 7096 1 8 . 1 1 164 164 THR HA H 164 3.803 3.803 4.054 -0.251 19108 7097 1 8 . 1 1 164 164 THR CA C 164 65.164 65.164 64.170 0.994 19108 7098 1 8 . 1 1 164 164 THR CB C 164 70.171 70.171 69.282 0.888 19108 7099 1 8 . 1 1 164 164 THR H H 164 7.494 7.494 7.444 0.050 19108 7100 1 8 . 1 1 165 165 PHE N N 165 115.079 115.079 118.697 -3.618 19108 7101 1 8 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.328 0.207 19108 7102 1 8 . 1 1 165 165 PHE CA C 165 57.969 57.969 58.252 -0.283 19108 7103 1 8 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.229 1.139 19108 7104 1 8 . 1 1 165 165 PHE H H 165 8.235 8.235 7.639 0.596 19108 7105 1 8 . 1 1 166 166 VAL N N 166 118.432 118.432 115.830 2.602 19108 7106 1 8 . 1 1 166 166 VAL HA H 166 4.025 4.025 3.873 0.152 19108 7107 1 8 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.404 0.597 19108 7108 1 8 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.774 -3.419 19108 7109 1 8 . 1 1 166 166 VAL H H 166 6.838 6.838 6.746 0.092 19108 7110 1 8 . 1 1 167 167 ASP N N 167 126.263 126.263 127.317 -1.054 19108 7111 1 8 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.522 -0.674 19108 7112 1 8 . 1 1 167 167 ASP CA C 167 51.630 51.630 52.889 -1.259 19108 7113 1 8 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.503 -1.423 19108 7114 1 8 . 1 1 167 167 ASP H H 167 8.498 8.498 8.980 -0.482 19108 7115 1 8 . 1 1 168 168 HIS N N 168 119.890 119.890 116.713 3.177 19108 7116 1 8 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.240 0.106 19108 7117 1 8 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.415 -0.840 19108 7118 1 8 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.384 3.078 19108 7119 1 8 . 1 1 168 168 HIS H H 168 6.977 6.977 7.872 -0.895 19108 7120 1 8 . 1 1 169 169 GLN N N 169 119.254 119.254 113.675 5.579 19108 7121 1 8 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.988 -0.265 19108 7122 1 8 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.783 -0.013 19108 7123 1 8 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.590 -1.069 19108 7124 1 8 . 1 1 169 169 GLN H H 169 9.126 9.126 8.520 0.606 19108 7125 1 8 . 1 1 170 170 GLY N N 170 111.911 111.911 102.295 9.616 19108 7126 1 8 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.192 0.632 19108 7127 1 8 . 1 1 170 170 GLY H H 170 11.556 11.556 6.302 5.254 19108 7128 1 8 . 1 1 171 171 CYS N N 171 123.390 123.390 120.423 2.967 19108 7129 1 8 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.920 -0.204 19108 7130 1 8 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.136 1.649 19108 7131 1 8 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.397 -0.493 19108 7132 1 8 . 1 1 171 171 CYS H H 171 8.044 8.044 7.213 0.831 19108 7133 1 8 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.631 -0.013 19108 7134 1 8 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.237 -1.379 19108 7135 1 8 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.120 0.409 19108 7136 1 8 . 1 1 173 173 PHE N N 173 121.101 121.101 120.723 0.378 19108 7137 1 8 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.178 -1.522 19108 7138 1 8 . 1 1 173 173 PHE CA C 173 57.541 57.541 55.715 1.826 19108 7139 1 8 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.412 0.334 19108 7140 1 8 . 1 1 173 173 PHE H H 173 8.842 8.842 7.775 1.067 19108 7141 1 8 . 1 1 174 174 GLN N N 174 129.493 129.493 125.727 3.766 19108 7142 1 8 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.161 0.156 19108 7143 1 8 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.617 -1.822 19108 7144 1 8 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.077 1.020 19108 7145 1 8 . 1 1 174 174 GLN H H 174 7.250 7.250 8.041 -0.791 19108 7146 1 8 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.888 -0.974 19108 7147 1 8 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.364 0.059 19108 7148 1 8 . 1 1 176 176 TRP N N 176 118.133 118.133 120.902 -2.769 19108 7149 1 8 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.874 -0.241 19108 7150 1 8 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.279 -0.117 19108 7151 1 8 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.497 -0.609 19108 7152 1 8 . 1 1 176 176 TRP H H 176 5.591 5.591 7.175 -1.584 19108 7153 1 8 . 1 1 177 177 ASP N N 177 121.814 121.814 122.005 -0.191 19108 7154 1 8 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.699 -0.302 19108 7155 1 8 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.319 1.853 19108 7156 1 8 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.297 1.378 19108 7157 1 8 . 1 1 177 177 ASP H H 177 8.848 8.848 8.625 0.223 19108 7158 1 8 . 1 1 178 178 GLY N N 178 111.875 111.875 110.392 1.483 19108 7159 1 8 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.441 0.225 19108 7160 1 8 . 1 1 178 178 GLY H H 178 8.987 8.987 8.059 0.928 19108 7161 1 8 . 1 1 179 179 LEU N N 179 121.470 121.470 123.058 -1.588 19108 7162 1 8 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.258 0.230 19108 7163 1 8 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.284 2.498 19108 7164 1 8 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.578 0.651 19108 7165 1 8 . 1 1 179 179 LEU H H 179 7.148 7.148 8.097 -0.949 19108 7166 1 8 . 1 1 180 180 ASP N N 180 119.476 119.476 118.583 0.893 19108 7167 1 8 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.333 0.159 19108 7168 1 8 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.237 -0.298 19108 7169 1 8 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.138 0.575 19108 7170 1 8 . 1 1 180 180 ASP H H 180 8.874 8.874 8.675 0.199 19108 7171 1 8 . 1 1 181 181 GLU N N 181 122.379 122.379 120.105 2.274 19108 7172 1 8 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.965 0.047 19108 7173 1 8 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.810 0.159 19108 7174 1 8 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.490 -0.564 19108 7175 1 8 . 1 1 181 181 GLU H H 181 8.712 8.712 7.744 0.968 19108 7176 1 8 . 1 1 182 182 HIS N N 182 118.572 118.572 117.560 1.012 19108 7177 1 8 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.331 0.423 19108 7178 1 8 . 1 1 182 182 HIS CA C 182 59.029 59.029 60.171 -1.142 19108 7179 1 8 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.849 -1.001 19108 7180 1 8 . 1 1 182 182 HIS H H 182 8.854 8.854 8.720 0.134 19108 7181 1 8 . 1 1 183 183 SER N N 183 116.329 116.329 115.807 0.522 19108 7182 1 8 . 1 1 183 183 SER HA H 183 4.554 4.554 4.313 0.241 19108 7183 1 8 . 1 1 183 183 SER CA C 183 63.604 63.604 62.228 1.376 19108 7184 1 8 . 1 1 183 183 SER CB C 183 65.216 65.216 62.553 2.663 19108 7185 1 8 . 1 1 183 183 SER H H 183 8.665 8.665 8.563 0.102 19108 7186 1 8 . 1 1 184 184 GLN N N 184 122.215 122.215 120.920 1.295 19108 7187 1 8 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.098 0.149 19108 7188 1 8 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.734 0.226 19108 7189 1 8 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.798 0.137 19108 7190 1 8 . 1 1 184 184 GLN H H 184 8.714 8.714 8.401 0.313 19108 7191 1 8 . 1 1 185 185 ALA N N 185 124.432 124.432 123.640 0.792 19108 7192 1 8 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.086 0.198 19108 7193 1 8 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.901 0.568 19108 7194 1 8 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.234 0.140 19108 7195 1 8 . 1 1 185 185 ALA H H 185 8.258 8.258 7.925 0.333 19108 7196 1 8 . 1 1 186 186 LEU N N 186 119.941 119.941 119.463 0.478 19108 7197 1 8 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.901 0.311 19108 7198 1 8 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.340 -0.124 19108 7199 1 8 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.368 1.395 19108 7200 1 8 . 1 1 186 186 LEU H H 186 8.953 8.953 8.576 0.377 19108 7201 1 8 . 1 1 187 187 SER N N 187 116.987 116.987 114.172 2.815 19108 7202 1 8 . 1 1 187 187 SER HA H 187 4.039 4.039 4.077 -0.038 19108 7203 1 8 . 1 1 187 187 SER CA C 187 63.302 63.302 61.982 1.320 19108 7204 1 8 . 1 1 187 187 SER CB C 187 62.760 62.760 62.909 -0.149 19108 7205 1 8 . 1 1 187 187 SER H H 187 8.935 8.935 8.461 0.474 19108 7206 1 8 . 1 1 188 188 GLY N N 188 110.215 110.215 109.448 0.767 19108 7207 1 8 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.422 0.732 19108 7208 1 8 . 1 1 188 188 GLY H H 188 8.228 8.228 7.868 0.360 19108 7209 1 8 . 1 1 189 189 ARG N N 189 122.994 122.994 123.171 -0.177 19108 7210 1 8 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.047 0.190 19108 7211 1 8 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.986 0.573 19108 7212 1 8 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.992 0.403 19108 7213 1 8 . 1 1 189 189 ARG H H 189 7.838 7.838 8.067 -0.229 19108 7214 1 8 . 1 1 190 190 LEU N N 190 119.765 119.765 119.573 0.192 19108 7215 1 8 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.044 0.194 19108 7216 1 8 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.668 -0.449 19108 7217 1 8 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.883 -0.641 19108 7218 1 8 . 1 1 190 190 LEU H H 190 8.791 8.791 7.797 0.994 19108 7219 1 8 . 1 1 191 191 ARG N N 191 118.427 118.427 119.029 -0.602 19108 7220 1 8 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.889 0.154 19108 7221 1 8 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.439 0.343 19108 7222 1 8 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.117 0.074 19108 7223 1 8 . 1 1 191 191 ARG H H 191 8.305 8.305 7.831 0.474 19108 7224 1 8 . 1 1 192 192 ALA N N 192 119.414 119.414 120.650 -1.236 19108 7225 1 8 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.096 0.121 19108 7226 1 8 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.571 0.145 19108 7227 1 8 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.699 -0.534 19108 7228 1 8 . 1 1 192 192 ALA H H 192 7.414 7.414 7.561 -0.147 19108 7229 1 8 . 1 1 193 193 ILE N N 193 118.949 118.949 119.993 -1.044 19108 7230 1 8 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.762 0.008 19108 7231 1 8 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.507 0.330 19108 7232 1 8 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.972 1.474 19108 7233 1 8 . 1 1 193 193 ILE H H 193 7.896 7.896 7.676 0.220 19108 7234 1 8 . 1 1 194 194 LEU N N 194 116.435 116.435 116.651 -0.216 19108 7235 1 8 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.124 0.149 19108 7236 1 8 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.539 0.174 19108 7237 1 8 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.925 -1.454 19108 7238 1 8 . 1 1 194 194 LEU H H 194 8.296 8.296 7.786 0.510 19108 7239 1 8 . 1 1 195 195 GLN N N 195 118.580 118.580 116.808 1.772 19108 7240 1 8 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.028 0.307 19108 7241 1 8 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.955 -0.538 19108 7242 1 8 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.009 1.589 19108 7243 1 8 . 1 1 195 195 GLN H H 195 7.921 7.921 8.047 -0.126 19108 7244 1 8 . 1 1 196 196 ASN N N 196 118.941 118.941 120.969 -2.028 19108 7245 1 8 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.779 -0.077 19108 7246 1 8 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.655 0.795 19108 7247 1 8 . 1 1 196 196 ASN CB C 196 38.825 38.825 40.839 -2.014 19108 7248 1 8 . 1 1 196 196 ASN H H 196 8.078 8.078 8.393 -0.315 19108 7249 1 8 . 1 1 197 197 GLN N N 197 120.984 120.984 119.387 1.597 19108 7250 1 8 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.063 0.293 19108 7251 1 8 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.297 -0.131 19108 7252 1 8 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.263 1.233 19108 7253 1 8 . 1 1 197 197 GLN H H 197 8.526 8.526 8.704 -0.178 19108 7254 1 8 . 1 1 198 198 GLY N N 198 109.565 109.565 110.793 -1.228 19108 7255 1 8 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.996 0.388 19108 7256 1 8 . 1 1 198 198 GLY H H 198 8.467 8.467 8.385 0.082 19108 7257 1 9 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.384 -0.010 19108 7258 1 9 . 1 1 2 2 GLU CA C 2 56.348 56.348 57.347 -0.999 19108 7259 1 9 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.780 -0.327 19108 7260 1 9 . 1 1 3 3 ALA N N 3 125.932 125.932 120.839 5.093 19108 7261 1 9 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.430 -0.080 19108 7262 1 9 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.168 0.239 19108 7263 1 9 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.442 0.139 19108 7264 1 9 . 1 1 3 3 ALA H H 3 8.526 8.526 7.700 0.826 19108 7265 1 9 . 1 1 4 4 SER N N 4 116.729 116.729 114.253 2.476 19108 7266 1 9 . 1 1 4 4 SER HA H 4 4.766 4.766 4.238 0.528 19108 7267 1 9 . 1 1 4 4 SER CA C 4 56.283 56.283 58.237 -1.954 19108 7268 1 9 . 1 1 4 4 SER CB C 4 63.278 63.278 63.423 -0.145 19108 7269 1 9 . 1 1 4 4 SER H H 4 8.397 8.397 8.390 0.007 19108 7270 1 9 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.251 0.195 19108 7271 1 9 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.722 -0.416 19108 7272 1 9 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.841 0.256 19108 7273 1 9 . 1 1 6 6 ALA N N 6 124.236 124.236 125.435 -1.199 19108 7274 1 9 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.700 -0.367 19108 7275 1 9 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.375 0.188 19108 7276 1 9 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.745 -1.411 19108 7277 1 9 . 1 1 6 6 ALA H H 6 8.411 8.411 8.162 0.249 19108 7278 1 9 . 1 1 7 7 SER N N 7 114.497 114.497 115.730 -1.233 19108 7279 1 9 . 1 1 7 7 SER HA H 7 4.475 4.475 4.414 0.061 19108 7280 1 9 . 1 1 7 7 SER CA C 7 58.258 58.258 58.929 -0.671 19108 7281 1 9 . 1 1 7 7 SER CB C 7 64.174 64.174 63.602 0.572 19108 7282 1 9 . 1 1 7 7 SER H H 7 8.195 8.195 8.227 -0.032 19108 7283 1 9 . 1 1 8 8 GLY N N 8 110.497 110.497 112.372 -1.875 19108 7284 1 9 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.231 -0.385 19108 7285 1 9 . 1 1 8 8 GLY H H 8 8.226 8.226 8.195 0.031 19108 7286 1 9 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.527 -0.078 19108 7287 1 9 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.284 1.150 19108 7288 1 9 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.476 -0.283 19108 7289 1 9 . 1 1 10 10 ARG N N 10 120.534 120.534 125.326 -4.792 19108 7290 1 9 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.524 -0.183 19108 7291 1 9 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.085 -0.069 19108 7292 1 9 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.367 -0.558 19108 7293 1 9 . 1 1 10 10 ARG H H 10 8.469 8.469 8.696 -0.227 19108 7294 1 9 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.282 0.543 19108 7295 1 9 . 1 1 11 11 HIS CA C 11 55.461 55.461 56.294 -0.833 19108 7296 1 9 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.009 0.182 19108 7297 1 9 . 1 1 12 12 LEU N N 12 122.284 122.284 122.156 0.128 19108 7298 1 9 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.208 0.401 19108 7299 1 9 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.009 2.021 19108 7300 1 9 . 1 1 12 12 LEU H H 12 8.250 8.250 7.978 0.272 19108 7301 1 9 . 1 1 13 13 MET N N 13 121.493 121.493 117.537 3.956 19108 7302 1 9 . 1 1 13 13 MET HA H 13 4.038 4.038 4.637 -0.599 19108 7303 1 9 . 1 1 13 13 MET CA C 13 54.449 54.449 55.500 -1.051 19108 7304 1 9 . 1 1 13 13 MET CB C 13 35.015 35.015 34.162 0.853 19108 7305 1 9 . 1 1 13 13 MET H H 13 8.955 8.955 7.761 1.194 19108 7306 1 9 . 1 1 14 14 ASP N N 14 127.113 127.113 120.429 6.684 19108 7307 1 9 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.757 -0.657 19108 7308 1 9 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.514 -1.058 19108 7309 1 9 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.793 0.717 19108 7310 1 9 . 1 1 14 14 ASP H H 14 8.514 8.514 8.603 -0.089 19108 7311 1 9 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.112 -0.259 19108 7312 1 9 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.358 0.297 19108 7313 1 9 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.115 -0.464 19108 7314 1 9 . 1 1 16 16 HIS N N 16 115.776 115.776 116.212 -0.436 19108 7315 1 9 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.439 -0.161 19108 7316 1 9 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.873 -0.955 19108 7317 1 9 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.665 -0.457 19108 7318 1 9 . 1 1 16 16 HIS H H 16 8.591 8.591 8.454 0.137 19108 7319 1 9 . 1 1 17 17 ILE N N 17 122.675 122.675 119.131 3.544 19108 7320 1 9 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.759 -0.275 19108 7321 1 9 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.674 -1.448 19108 7322 1 9 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.778 -0.681 19108 7323 1 9 . 1 1 17 17 ILE H H 17 7.558 7.558 8.364 -0.806 19108 7324 1 9 . 1 1 18 18 PHE N N 18 120.513 120.513 121.168 -0.655 19108 7325 1 9 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.243 -0.240 19108 7326 1 9 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.435 1.369 19108 7327 1 9 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.778 -0.138 19108 7328 1 9 . 1 1 18 18 PHE H H 18 7.831 7.831 7.887 -0.056 19108 7329 1 9 . 1 1 19 19 THR N N 19 114.555 114.555 114.990 -0.435 19108 7330 1 9 . 1 1 19 19 THR HA H 19 3.657 3.657 4.244 -0.587 19108 7331 1 9 . 1 1 19 19 THR CA C 19 66.485 66.485 65.995 0.490 19108 7332 1 9 . 1 1 19 19 THR CB C 19 68.345 68.345 68.579 -0.234 19108 7333 1 9 . 1 1 19 19 THR H H 19 9.036 9.036 8.359 0.677 19108 7334 1 9 . 1 1 20 20 SER N N 20 113.030 113.030 116.542 -3.512 19108 7335 1 9 . 1 1 20 20 SER HA H 20 4.062 4.062 4.174 -0.112 19108 7336 1 9 . 1 1 20 20 SER CA C 20 60.610 60.610 60.629 -0.019 19108 7337 1 9 . 1 1 20 20 SER CB C 20 63.843 63.843 63.476 0.367 19108 7338 1 9 . 1 1 20 20 SER H H 20 7.809 7.809 8.096 -0.287 19108 7339 1 9 . 1 1 21 21 ASN N N 21 115.629 115.629 120.256 -4.627 19108 7340 1 9 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.313 0.098 19108 7341 1 9 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.799 1.190 19108 7342 1 9 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.197 3.383 19108 7343 1 9 . 1 1 21 21 ASN H H 21 7.362 7.362 7.592 -0.230 19108 7344 1 9 . 1 1 22 22 PHE N N 22 117.773 117.773 114.538 3.235 19108 7345 1 9 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.595 -0.322 19108 7346 1 9 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.630 -0.170 19108 7347 1 9 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.975 -1.145 19108 7348 1 9 . 1 1 22 22 PHE H H 22 8.296 8.296 7.507 0.789 19108 7349 1 9 . 1 1 23 23 ASN N N 23 115.026 115.026 121.023 -5.997 19108 7350 1 9 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.726 -0.197 19108 7351 1 9 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.351 1.291 19108 7352 1 9 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.809 -2.187 19108 7353 1 9 . 1 1 23 23 ASN H H 23 6.097 6.097 7.878 -1.781 19108 7354 1 9 . 1 1 24 24 ASN N N 24 122.900 122.900 122.940 -0.040 19108 7355 1 9 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.372 0.061 19108 7356 1 9 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.926 -0.653 19108 7357 1 9 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.577 -0.685 19108 7358 1 9 . 1 1 24 24 ASN H H 24 7.083 7.083 8.133 -1.050 19108 7359 1 9 . 1 1 25 25 GLY N N 25 105.587 105.587 106.683 -1.096 19108 7360 1 9 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.155 -0.290 19108 7361 1 9 . 1 1 25 25 GLY H H 25 8.520 8.520 8.614 -0.094 19108 7362 1 9 . 1 1 26 26 ILE N N 26 120.182 120.182 119.500 0.682 19108 7363 1 9 . 1 1 26 26 ILE HA H 26 4.174 4.174 3.965 0.209 19108 7364 1 9 . 1 1 26 26 ILE CA C 26 60.443 60.443 61.612 -1.169 19108 7365 1 9 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.734 1.781 19108 7366 1 9 . 1 1 26 26 ILE H H 26 6.944 6.944 7.500 -0.556 19108 7367 1 9 . 1 1 27 27 GLY N N 27 111.665 111.665 111.939 -0.274 19108 7368 1 9 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.024 0.295 19108 7369 1 9 . 1 1 27 27 GLY H H 27 8.457 8.457 8.499 -0.042 19108 7370 1 9 . 1 1 28 28 ARG N N 28 117.565 117.565 121.162 -3.597 19108 7371 1 9 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.241 -1.676 19108 7372 1 9 . 1 1 28 28 ARG H H 28 6.741 6.741 7.918 -1.177 19108 7373 1 9 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.770 2.233 19108 7374 1 9 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.811 1.233 19108 7375 1 9 . 1 1 29 29 HIS H H 29 8.636 8.636 9.074 -0.438 19108 7376 1 9 . 1 1 30 30 LYS N N 30 119.344 119.344 121.155 -1.811 19108 7377 1 9 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.559 -0.138 19108 7378 1 9 . 1 1 30 30 LYS CA C 30 56.864 56.864 54.233 2.631 19108 7379 1 9 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.244 1.947 19108 7380 1 9 . 1 1 30 30 LYS H H 30 7.870 7.870 8.145 -0.275 19108 7381 1 9 . 1 1 31 31 THR N N 31 118.233 118.233 113.802 4.431 19108 7382 1 9 . 1 1 31 31 THR HA H 31 4.125 4.125 3.857 0.268 19108 7383 1 9 . 1 1 31 31 THR CA C 31 63.175 63.175 62.650 0.525 19108 7384 1 9 . 1 1 31 31 THR H H 31 8.436 8.436 6.932 1.504 19108 7385 1 9 . 1 1 32 32 TYR N N 32 124.026 124.026 125.275 -1.249 19108 7386 1 9 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.112 -0.176 19108 7387 1 9 . 1 1 32 32 TYR CA C 32 57.501 57.501 56.988 0.513 19108 7388 1 9 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.734 1.670 19108 7389 1 9 . 1 1 32 32 TYR H H 32 8.244 8.244 9.219 -0.975 19108 7390 1 9 . 1 1 33 33 LEU N N 33 125.428 125.428 125.125 0.303 19108 7391 1 9 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.345 -0.266 19108 7392 1 9 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.255 1.583 19108 7393 1 9 . 1 1 33 33 LEU CB C 33 46.984 46.984 44.981 2.003 19108 7394 1 9 . 1 1 33 33 LEU H H 33 9.232 9.232 9.121 0.111 19108 7395 1 9 . 1 1 34 34 CYS N N 34 125.975 125.975 126.084 -0.109 19108 7396 1 9 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.244 -0.238 19108 7397 1 9 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.441 1.704 19108 7398 1 9 . 1 1 34 34 CYS CB C 34 28.302 28.302 28.441 -0.139 19108 7399 1 9 . 1 1 34 34 CYS H H 34 9.640 9.640 8.978 0.662 19108 7400 1 9 . 1 1 35 35 TYR N N 35 121.183 121.183 119.163 2.020 19108 7401 1 9 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.874 0.614 19108 7402 1 9 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.319 -0.537 19108 7403 1 9 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.719 1.371 19108 7404 1 9 . 1 1 35 35 TYR H H 35 9.094 9.094 8.555 0.539 19108 7405 1 9 . 1 1 36 36 GLU N N 36 115.538 115.538 122.180 -6.642 19108 7406 1 9 . 1 1 36 36 GLU HA H 36 5.435 5.435 5.030 0.405 19108 7407 1 9 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.461 -0.070 19108 7408 1 9 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.444 0.100 19108 7409 1 9 . 1 1 36 36 GLU H H 36 8.977 8.977 8.650 0.327 19108 7410 1 9 . 1 1 37 37 VAL N N 37 121.600 121.600 125.227 -3.627 19108 7411 1 9 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.800 0.359 19108 7412 1 9 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.106 0.942 19108 7413 1 9 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.927 1.143 19108 7414 1 9 . 1 1 37 37 VAL H H 37 9.271 9.271 9.040 0.232 19108 7415 1 9 . 1 1 38 38 GLU N N 38 125.227 125.227 125.107 0.120 19108 7416 1 9 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.083 0.135 19108 7417 1 9 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.004 0.248 19108 7418 1 9 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.443 1.484 19108 7419 1 9 . 1 1 38 38 GLU H H 38 9.114 9.114 8.433 0.681 19108 7420 1 9 . 1 1 39 39 ARG N N 39 124.872 124.872 124.679 0.193 19108 7421 1 9 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.175 1.190 19108 7422 1 9 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.824 -0.577 19108 7423 1 9 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.420 1.145 19108 7424 1 9 . 1 1 39 39 ARG H H 39 9.215 9.215 8.279 0.936 19108 7425 1 9 . 1 1 40 40 LEU N N 40 126.510 126.510 127.462 -0.952 19108 7426 1 9 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.678 0.075 19108 7427 1 9 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.792 0.531 19108 7428 1 9 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.005 -1.162 19108 7429 1 9 . 1 1 40 40 LEU H H 40 8.659 8.659 7.811 0.848 19108 7430 1 9 . 1 1 41 41 ASP N N 41 124.410 124.410 125.260 -0.850 19108 7431 1 9 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.679 0.114 19108 7432 1 9 . 1 1 41 41 ASP CA C 41 53.218 53.218 52.347 0.871 19108 7433 1 9 . 1 1 41 41 ASP CB C 41 41.733 41.733 41.189 0.544 19108 7434 1 9 . 1 1 41 41 ASP H H 41 8.575 8.575 8.845 -0.270 19108 7435 1 9 . 1 1 42 42 ASN N N 42 123.319 123.319 123.127 0.192 19108 7436 1 9 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.307 0.113 19108 7437 1 9 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.296 0.877 19108 7438 1 9 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.258 -0.410 19108 7439 1 9 . 1 1 42 42 ASN H H 42 9.048 9.048 8.705 0.343 19108 7440 1 9 . 1 1 43 43 GLY N N 43 106.044 106.044 103.462 2.582 19108 7441 1 9 . 1 1 43 43 GLY CA C 43 45.394 45.394 44.920 0.474 19108 7442 1 9 . 1 1 43 43 GLY H H 43 8.548 8.548 8.108 0.440 19108 7443 1 9 . 1 1 44 44 THR N N 44 115.893 115.893 121.770 -5.877 19108 7444 1 9 . 1 1 44 44 THR HA H 44 4.524 4.524 4.209 0.315 19108 7445 1 9 . 1 1 44 44 THR CA C 44 61.285 61.285 63.197 -1.912 19108 7446 1 9 . 1 1 44 44 THR CB C 44 70.572 70.572 68.618 1.954 19108 7447 1 9 . 1 1 44 44 THR H H 44 7.833 7.833 8.059 -0.226 19108 7448 1 9 . 1 1 45 45 SER N N 45 119.589 119.589 123.245 -3.656 19108 7449 1 9 . 1 1 45 45 SER HA H 45 4.804 4.804 5.120 -0.316 19108 7450 1 9 . 1 1 45 45 SER CA C 45 58.080 58.080 57.373 0.707 19108 7451 1 9 . 1 1 45 45 SER CB C 45 64.265 64.265 63.989 0.276 19108 7452 1 9 . 1 1 45 45 SER H H 45 8.590 8.590 8.605 -0.015 19108 7453 1 9 . 1 1 46 46 VAL N N 46 125.827 125.827 126.259 -0.432 19108 7454 1 9 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.350 -0.057 19108 7455 1 9 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.952 0.891 19108 7456 1 9 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.917 0.600 19108 7457 1 9 . 1 1 46 46 VAL H H 46 9.034 9.034 8.874 0.160 19108 7458 1 9 . 1 1 47 47 LYS N N 47 126.528 126.528 127.134 -0.606 19108 7459 1 9 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.224 0.061 19108 7460 1 9 . 1 1 47 47 LYS CA C 47 57.665 57.665 57.133 0.532 19108 7461 1 9 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.668 0.124 19108 7462 1 9 . 1 1 47 47 LYS H H 47 8.738 8.738 8.595 0.143 19108 7463 1 9 . 1 1 48 48 MET N N 48 122.645 122.645 125.295 -2.650 19108 7464 1 9 . 1 1 48 48 MET HA H 48 5.195 5.195 4.486 0.709 19108 7465 1 9 . 1 1 48 48 MET CA C 48 54.747 54.747 56.309 -1.562 19108 7466 1 9 . 1 1 48 48 MET CB C 48 32.379 32.379 33.380 -1.001 19108 7467 1 9 . 1 1 48 48 MET H H 48 8.334 8.334 8.141 0.193 19108 7468 1 9 . 1 1 49 49 ASP N N 49 123.713 123.713 119.359 4.354 19108 7469 1 9 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.633 -0.209 19108 7470 1 9 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.877 0.733 19108 7471 1 9 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.064 -0.030 19108 7472 1 9 . 1 1 49 49 ASP H H 49 8.575 8.575 8.664 -0.089 19108 7473 1 9 . 1 1 50 50 GLN N N 50 117.540 117.540 118.585 -1.045 19108 7474 1 9 . 1 1 50 50 GLN H H 50 9.110 9.110 8.451 0.659 19108 7475 1 9 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.774 0.377 19108 7476 1 9 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.809 -1.974 19108 7477 1 9 . 1 1 51 51 HIS H H 51 8.031 8.031 8.257 -0.226 19108 7478 1 9 . 1 1 52 52 ARG N N 52 117.888 117.888 122.066 -4.178 19108 7479 1 9 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.863 0.374 19108 7480 1 9 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.263 -0.208 19108 7481 1 9 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.588 1.466 19108 7482 1 9 . 1 1 52 52 ARG H H 52 7.685 7.685 7.859 -0.174 19108 7483 1 9 . 1 1 53 53 GLY N N 53 108.573 108.573 112.382 -3.809 19108 7484 1 9 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.845 0.863 19108 7485 1 9 . 1 1 53 53 GLY H H 53 7.529 7.529 7.618 -0.089 19108 7486 1 9 . 1 1 54 54 PHE N N 54 113.146 113.146 115.352 -2.206 19108 7487 1 9 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.652 0.343 19108 7488 1 9 . 1 1 54 54 PHE CA C 54 55.856 55.856 57.198 -1.342 19108 7489 1 9 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.559 2.804 19108 7490 1 9 . 1 1 54 54 PHE H H 54 8.287 8.287 7.869 0.418 19108 7491 1 9 . 1 1 55 55 LEU N N 55 119.389 119.389 120.746 -1.357 19108 7492 1 9 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.662 0.033 19108 7493 1 9 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.732 -0.020 19108 7494 1 9 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.504 0.124 19108 7495 1 9 . 1 1 55 55 LEU H H 55 9.452 9.452 8.816 0.636 19108 7496 1 9 . 1 1 56 56 HIS N N 56 114.176 114.176 115.287 -1.111 19108 7497 1 9 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.192 0.247 19108 7498 1 9 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.825 0.640 19108 7499 1 9 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.385 -0.918 19108 7500 1 9 . 1 1 56 56 HIS H H 56 7.709 7.709 8.413 -0.704 19108 7501 1 9 . 1 1 57 57 ASN N N 57 116.522 116.522 116.835 -0.313 19108 7502 1 9 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.249 0.166 19108 7503 1 9 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.232 0.952 19108 7504 1 9 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.690 -0.028 19108 7505 1 9 . 1 1 57 57 ASN H H 57 8.684 8.684 7.972 0.712 19108 7506 1 9 . 1 1 58 58 GLN N N 58 122.850 122.850 118.524 4.326 19108 7507 1 9 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.297 0.092 19108 7508 1 9 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.126 -0.273 19108 7509 1 9 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.023 2.359 19108 7510 1 9 . 1 1 58 58 GLN H H 58 9.099 9.099 7.831 1.268 19108 7511 1 9 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.297 0.003 19108 7512 1 9 . 1 1 59 59 ALA CA C 59 52.504 52.504 54.110 -1.606 19108 7513 1 9 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.175 0.246 19108 7514 1 9 . 1 1 60 60 LYS N N 60 119.998 119.998 120.178 -0.180 19108 7515 1 9 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.339 -0.563 19108 7516 1 9 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.825 0.475 19108 7517 1 9 . 1 1 60 60 LYS CB C 60 32.816 32.816 30.781 2.035 19108 7518 1 9 . 1 1 60 60 LYS H H 60 8.344 8.344 8.440 -0.096 19108 7519 1 9 . 1 1 61 61 ASN N N 61 119.688 119.688 121.223 -1.535 19108 7520 1 9 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.849 -0.394 19108 7521 1 9 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.767 0.137 19108 7522 1 9 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.708 -0.171 19108 7523 1 9 . 1 1 61 61 ASN H H 61 8.643 8.643 8.322 0.321 19108 7524 1 9 . 1 1 62 62 LEU N N 62 124.761 124.761 121.032 3.729 19108 7525 1 9 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.434 -0.500 19108 7526 1 9 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.385 1.860 19108 7527 1 9 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.937 -0.994 19108 7528 1 9 . 1 1 62 62 LEU H H 62 8.873 8.873 8.535 0.338 19108 7529 1 9 . 1 1 63 63 LEU N N 63 120.312 120.312 120.744 -0.432 19108 7530 1 9 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.041 0.158 19108 7531 1 9 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.267 -0.191 19108 7532 1 9 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.972 -0.715 19108 7533 1 9 . 1 1 63 63 LEU H H 63 8.145 8.145 7.951 0.194 19108 7534 1 9 . 1 1 64 64 CYS N N 64 113.898 113.898 116.895 -2.997 19108 7535 1 9 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.467 -0.296 19108 7536 1 9 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.348 -1.564 19108 7537 1 9 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.064 0.654 19108 7538 1 9 . 1 1 64 64 CYS H H 64 7.376 7.376 8.013 -0.637 19108 7539 1 9 . 1 1 65 65 GLY N N 65 108.894 108.894 109.574 -0.680 19108 7540 1 9 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.957 1.026 19108 7541 1 9 . 1 1 65 65 GLY H H 65 7.789 7.789 7.804 -0.015 19108 7542 1 9 . 1 1 66 66 PHE N N 66 118.711 118.711 118.418 0.293 19108 7543 1 9 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.267 -0.350 19108 7544 1 9 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.552 -2.612 19108 7545 1 9 . 1 1 66 66 PHE CB C 66 40.268 40.268 37.746 2.522 19108 7546 1 9 . 1 1 66 66 PHE H H 66 7.699 7.699 7.857 -0.158 19108 7547 1 9 . 1 1 67 67 TYR N N 67 124.623 124.623 125.497 -0.874 19108 7548 1 9 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.350 -0.050 19108 7549 1 9 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.651 2.113 19108 7550 1 9 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.869 -1.716 19108 7551 1 9 . 1 1 67 67 TYR H H 67 8.568 8.568 7.971 0.597 19108 7552 1 9 . 1 1 69 69 ARG N N 69 121.427 121.427 123.327 -1.900 19108 7553 1 9 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.729 2.328 19108 7554 1 9 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.667 -0.371 19108 7555 1 9 . 1 1 69 69 ARG H H 69 8.313 8.313 7.934 0.379 19108 7556 1 9 . 1 1 70 70 HIS N N 70 128.351 128.351 122.623 5.728 19108 7557 1 9 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.275 0.507 19108 7558 1 9 . 1 1 70 70 HIS CA C 70 56.716 56.716 58.443 -1.727 19108 7559 1 9 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.294 0.482 19108 7560 1 9 . 1 1 70 70 HIS H H 70 9.182 9.182 8.988 0.194 19108 7561 1 9 . 1 1 71 71 ALA N N 71 125.649 125.649 126.591 -0.942 19108 7562 1 9 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.114 -0.757 19108 7563 1 9 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.765 1.017 19108 7564 1 9 . 1 1 71 71 ALA CB C 71 18.010 18.010 19.188 -1.177 19108 7565 1 9 . 1 1 71 71 ALA H H 71 8.968 8.968 8.942 0.026 19108 7566 1 9 . 1 1 72 72 GLU N N 72 119.941 119.941 119.130 0.811 19108 7567 1 9 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.569 -0.592 19108 7568 1 9 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.137 1.819 19108 7569 1 9 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.785 -0.779 19108 7570 1 9 . 1 1 72 72 GLU H H 72 12.692 12.692 8.675 4.017 19108 7571 1 9 . 1 1 73 73 LEU N N 73 114.882 114.882 119.384 -4.502 19108 7572 1 9 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.169 -0.584 19108 7573 1 9 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.647 -1.986 19108 7574 1 9 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.611 -2.366 19108 7575 1 9 . 1 1 73 73 LEU H H 73 6.637 6.637 8.239 -1.602 19108 7576 1 9 . 1 1 74 74 ARG N N 74 117.799 117.799 118.708 -0.909 19108 7577 1 9 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.229 -0.187 19108 7578 1 9 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.747 -0.572 19108 7579 1 9 . 1 1 74 74 ARG H H 74 7.556 7.556 7.409 0.147 19108 7580 1 9 . 1 1 75 75 PHE N N 75 119.783 119.783 119.985 -0.202 19108 7581 1 9 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.033 -0.472 19108 7582 1 9 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.987 0.687 19108 7583 1 9 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.834 -0.796 19108 7584 1 9 . 1 1 75 75 PHE H H 75 8.233 8.233 7.851 0.383 19108 7585 1 9 . 1 1 76 76 LEU N N 76 119.526 119.526 118.994 0.532 19108 7586 1 9 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.630 -0.072 19108 7587 1 9 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.841 1.198 19108 7588 1 9 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.776 -2.760 19108 7589 1 9 . 1 1 76 76 LEU H H 76 7.629 7.629 8.154 -0.525 19108 7590 1 9 . 1 1 77 77 ASP N N 77 118.215 118.215 118.777 -0.562 19108 7591 1 9 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.478 -0.320 19108 7592 1 9 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.485 -0.085 19108 7593 1 9 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.374 -1.006 19108 7594 1 9 . 1 1 77 77 ASP H H 77 8.190 8.190 7.753 0.437 19108 7595 1 9 . 1 1 78 78 LEU N N 78 117.496 117.496 113.859 3.637 19108 7596 1 9 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.579 -0.289 19108 7597 1 9 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.755 0.230 19108 7598 1 9 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.575 0.826 19108 7599 1 9 . 1 1 78 78 LEU H H 78 7.252 7.252 7.115 0.137 19108 7600 1 9 . 1 1 79 79 VAL N N 79 120.915 120.915 123.807 -2.892 19108 7601 1 9 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.520 -0.297 19108 7602 1 9 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.533 0.995 19108 7603 1 9 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.746 0.374 19108 7604 1 9 . 1 1 79 79 VAL H H 79 7.179 7.179 7.172 0.007 19108 7605 1 9 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.356 -0.381 19108 7606 1 9 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.588 1.199 19108 7607 1 9 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.888 -1.080 19108 7608 1 9 . 1 1 81 81 SER N N 81 112.727 112.727 114.947 -2.220 19108 7609 1 9 . 1 1 81 81 SER HA H 81 4.314 4.314 4.246 0.068 19108 7610 1 9 . 1 1 81 81 SER CA C 81 60.618 60.618 60.830 -0.211 19108 7611 1 9 . 1 1 81 81 SER CB C 81 63.450 63.450 62.891 0.560 19108 7612 1 9 . 1 1 81 81 SER H H 81 7.828 7.828 7.574 0.254 19108 7613 1 9 . 1 1 82 82 LEU N N 82 120.918 120.918 119.045 1.873 19108 7614 1 9 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.409 -0.535 19108 7615 1 9 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.631 0.861 19108 7616 1 9 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.530 -2.319 19108 7617 1 9 . 1 1 82 82 LEU H H 82 7.912 7.912 7.461 0.451 19108 7618 1 9 . 1 1 83 83 GLN N N 83 111.397 111.397 116.083 -4.686 19108 7619 1 9 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.878 -0.070 19108 7620 1 9 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.054 0.112 19108 7621 1 9 . 1 1 83 83 GLN CB C 83 26.668 26.668 25.998 0.670 19108 7622 1 9 . 1 1 83 83 GLN H H 83 7.458 7.458 7.449 0.009 19108 7623 1 9 . 1 1 84 84 LEU N N 84 118.520 118.520 119.140 -0.620 19108 7624 1 9 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.082 -0.363 19108 7625 1 9 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.435 -1.693 19108 7626 1 9 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.722 -3.477 19108 7627 1 9 . 1 1 84 84 LEU H H 84 8.736 8.736 7.896 0.840 19108 7628 1 9 . 1 1 85 85 ASP N N 85 126.187 126.187 121.297 4.890 19108 7629 1 9 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.854 0.029 19108 7630 1 9 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.585 -0.239 19108 7631 1 9 . 1 1 85 85 ASP CB C 85 42.948 42.948 40.363 2.585 19108 7632 1 9 . 1 1 85 85 ASP H H 85 8.415 8.415 8.171 0.244 19108 7633 1 9 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.717 0.211 19108 7634 1 9 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.963 -0.325 19108 7635 1 9 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.274 0.012 19108 7636 1 9 . 1 1 87 87 ALA N N 87 121.030 121.030 119.445 1.585 19108 7637 1 9 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.086 0.332 19108 7638 1 9 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.865 -1.693 19108 7639 1 9 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.811 0.537 19108 7640 1 9 . 1 1 87 87 ALA H H 87 8.504 8.504 8.031 0.473 19108 7641 1 9 . 1 1 88 88 GLN N N 88 119.601 119.601 113.702 5.899 19108 7642 1 9 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.560 -0.038 19108 7643 1 9 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.151 -0.717 19108 7644 1 9 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.154 -3.105 19108 7645 1 9 . 1 1 88 88 GLN H H 88 8.125 8.125 7.588 0.537 19108 7646 1 9 . 1 1 89 89 ILE N N 89 118.195 118.195 118.489 -0.294 19108 7647 1 9 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.968 0.001 19108 7648 1 9 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.799 -1.258 19108 7649 1 9 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.986 0.266 19108 7650 1 9 . 1 1 89 89 ILE H H 89 8.099 8.099 8.400 -0.301 19108 7651 1 9 . 1 1 90 90 TYR N N 90 122.421 122.421 121.392 1.029 19108 7652 1 9 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.189 0.172 19108 7653 1 9 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.066 -1.026 19108 7654 1 9 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.468 -0.642 19108 7655 1 9 . 1 1 90 90 TYR H H 90 8.892 8.892 8.415 0.477 19108 7656 1 9 . 1 1 91 91 ARG N N 91 121.043 121.043 120.494 0.549 19108 7657 1 9 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.885 0.358 19108 7658 1 9 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.177 -1.642 19108 7659 1 9 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.629 -0.497 19108 7660 1 9 . 1 1 91 91 ARG H H 91 9.327 9.327 8.574 0.753 19108 7661 1 9 . 1 1 92 92 VAL N N 92 132.287 132.287 129.767 2.520 19108 7662 1 9 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.681 0.242 19108 7663 1 9 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.007 -1.102 19108 7664 1 9 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.773 -0.920 19108 7665 1 9 . 1 1 92 92 VAL H H 92 9.668 9.668 9.168 0.500 19108 7666 1 9 . 1 1 93 93 THR N N 93 124.468 124.468 124.606 -0.138 19108 7667 1 9 . 1 1 93 93 THR HA H 93 5.264 5.264 4.731 0.533 19108 7668 1 9 . 1 1 93 93 THR CA C 93 61.616 61.616 61.519 0.097 19108 7669 1 9 . 1 1 93 93 THR CB C 93 70.082 70.082 69.371 0.711 19108 7670 1 9 . 1 1 93 93 THR H H 93 9.381 9.381 8.867 0.514 19108 7671 1 9 . 1 1 94 94 TRP N N 94 124.491 124.491 127.594 -3.103 19108 7672 1 9 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.207 0.459 19108 7673 1 9 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.754 -2.549 19108 7674 1 9 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.967 2.701 19108 7675 1 9 . 1 1 94 94 TRP H H 94 9.071 9.071 8.954 0.117 19108 7676 1 9 . 1 1 95 95 PHE N N 95 122.179 122.179 122.908 -0.729 19108 7677 1 9 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.034 0.636 19108 7678 1 9 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.352 -0.578 19108 7679 1 9 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.444 -0.995 19108 7680 1 9 . 1 1 95 95 PHE H H 95 9.578 9.578 8.986 0.592 19108 7681 1 9 . 1 1 96 96 ILE N N 96 125.072 125.072 121.772 3.300 19108 7682 1 9 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.392 0.581 19108 7683 1 9 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.524 -1.097 19108 7684 1 9 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.613 4.460 19108 7685 1 9 . 1 1 96 96 ILE H H 96 9.816 9.816 9.432 0.384 19108 7686 1 9 . 1 1 97 97 SER N N 97 124.020 124.020 118.891 5.129 19108 7687 1 9 . 1 1 97 97 SER HA H 97 3.623 3.623 4.687 -1.064 19108 7688 1 9 . 1 1 97 97 SER CA C 97 61.750 61.750 60.111 1.639 19108 7689 1 9 . 1 1 97 97 SER CB C 97 63.711 63.711 63.649 0.062 19108 7690 1 9 . 1 1 97 97 SER H H 97 9.156 9.156 8.528 0.628 19108 7691 1 9 . 1 1 98 98 TRP N N 98 114.829 114.829 120.177 -5.348 19108 7692 1 9 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.114 0.225 19108 7693 1 9 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.957 -2.286 19108 7694 1 9 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.164 2.587 19108 7695 1 9 . 1 1 98 98 TRP H H 98 6.619 6.619 7.880 -1.261 19108 7696 1 9 . 1 1 99 99 SER N N 99 115.444 115.444 116.113 -0.669 19108 7697 1 9 . 1 1 99 99 SER CA C 99 58.045 58.045 55.697 2.348 19108 7698 1 9 . 1 1 99 99 SER CB C 99 61.927 61.927 63.838 -1.911 19108 7699 1 9 . 1 1 99 99 SER H H 99 8.590 8.590 8.539 0.051 19108 7700 1 9 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.585 -1.660 19108 7701 1 9 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.451 2.345 19108 7702 1 9 . 1 1 101 101 CYS N N 101 121.768 121.768 114.514 7.254 19108 7703 1 9 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.174 0.485 19108 7704 1 9 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.162 1.027 19108 7705 1 9 . 1 1 101 101 CYS H H 101 8.686 8.686 8.311 0.375 19108 7706 1 9 . 1 1 102 102 PHE N N 102 115.031 115.031 122.779 -7.748 19108 7707 1 9 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.507 2.454 19108 7708 1 9 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.321 -2.164 19108 7709 1 9 . 1 1 102 102 PHE H H 102 9.318 9.318 7.950 1.368 19108 7710 1 9 . 1 1 103 103 SER N N 103 119.552 119.552 124.009 -4.457 19108 7711 1 9 . 1 1 103 103 SER HA H 103 3.713 3.713 4.160 -0.447 19108 7712 1 9 . 1 1 103 103 SER CA C 103 63.368 63.368 62.552 0.816 19108 7713 1 9 . 1 1 103 103 SER CB C 103 60.539 60.539 63.032 -2.493 19108 7714 1 9 . 1 1 103 103 SER H H 103 10.858 10.858 9.027 1.831 19108 7715 1 9 . 1 1 104 104 TRP N N 104 117.909 117.909 121.449 -3.540 19108 7716 1 9 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.740 -0.964 19108 7717 1 9 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.283 0.931 19108 7718 1 9 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.403 -1.517 19108 7719 1 9 . 1 1 104 104 TRP H H 104 7.880 7.880 8.554 -0.674 19108 7720 1 9 . 1 1 105 105 GLY N N 105 106.359 106.359 108.488 -2.129 19108 7721 1 9 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.725 -0.644 19108 7722 1 9 . 1 1 105 105 GLY H H 105 7.468 7.468 8.568 -1.100 19108 7723 1 9 . 1 1 106 106 CYS N N 106 120.359 120.359 121.188 -0.829 19108 7724 1 9 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.368 -0.509 19108 7725 1 9 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.258 4.844 19108 7726 1 9 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.163 2.555 19108 7727 1 9 . 1 1 106 106 CYS H H 106 7.366 7.366 8.136 -0.770 19108 7728 1 9 . 1 1 107 107 ALA N N 107 119.725 119.725 121.572 -1.847 19108 7729 1 9 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.094 -0.229 19108 7730 1 9 . 1 1 107 107 ALA CA C 107 56.934 56.934 54.808 2.126 19108 7731 1 9 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.227 0.216 19108 7732 1 9 . 1 1 107 107 ALA H H 107 8.719 8.719 7.999 0.720 19108 7733 1 9 . 1 1 108 108 GLY N N 108 103.829 103.829 107.755 -3.926 19108 7734 1 9 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.103 -0.209 19108 7735 1 9 . 1 1 108 108 GLY H H 108 8.555 8.555 7.951 0.604 19108 7736 1 9 . 1 1 109 109 GLU N N 109 123.162 123.162 121.753 1.409 19108 7737 1 9 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.969 0.297 19108 7738 1 9 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.052 0.240 19108 7739 1 9 . 1 1 109 109 GLU CB C 109 30.382 30.382 28.888 1.494 19108 7740 1 9 . 1 1 109 109 GLU H H 109 8.023 8.023 7.645 0.378 19108 7741 1 9 . 1 1 110 110 VAL N N 110 121.866 121.866 120.678 1.188 19108 7742 1 9 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.668 0.031 19108 7743 1 9 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.339 0.704 19108 7744 1 9 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.441 -0.434 19108 7745 1 9 . 1 1 110 110 VAL H H 110 8.942 8.942 7.584 1.358 19108 7746 1 9 . 1 1 111 111 ARG N N 111 120.587 120.587 120.002 0.585 19108 7747 1 9 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.820 -0.034 19108 7748 1 9 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.738 0.343 19108 7749 1 9 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.059 -0.884 19108 7750 1 9 . 1 1 111 111 ARG H H 111 8.653 8.653 8.371 0.282 19108 7751 1 9 . 1 1 112 112 ALA N N 112 120.687 120.687 121.318 -0.631 19108 7752 1 9 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.996 0.138 19108 7753 1 9 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.056 0.362 19108 7754 1 9 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.027 -0.036 19108 7755 1 9 . 1 1 112 112 ALA H H 112 7.875 7.875 8.000 -0.125 19108 7756 1 9 . 1 1 113 113 PHE N N 113 118.950 118.950 117.627 1.323 19108 7757 1 9 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.224 0.113 19108 7758 1 9 . 1 1 113 113 PHE CA C 113 61.376 61.376 60.730 0.646 19108 7759 1 9 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.060 0.327 19108 7760 1 9 . 1 1 113 113 PHE H H 113 8.139 8.139 7.797 0.342 19108 7761 1 9 . 1 1 114 114 LEU N N 114 120.595 120.595 120.662 -0.067 19108 7762 1 9 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.830 -0.030 19108 7763 1 9 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.845 -0.712 19108 7764 1 9 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.122 -1.213 19108 7765 1 9 . 1 1 114 114 LEU H H 114 8.639 8.639 8.333 0.306 19108 7766 1 9 . 1 1 115 115 GLN N N 115 117.666 117.666 115.841 1.825 19108 7767 1 9 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.880 0.143 19108 7768 1 9 . 1 1 115 115 GLN CA C 115 58.386 58.386 57.987 0.399 19108 7769 1 9 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.004 0.534 19108 7770 1 9 . 1 1 115 115 GLN H H 115 8.167 8.167 8.444 -0.277 19108 7771 1 9 . 1 1 116 116 GLU N N 116 115.380 115.380 118.150 -2.770 19108 7772 1 9 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.280 0.042 19108 7773 1 9 . 1 1 116 116 GLU CA C 116 57.062 57.062 57.407 -0.345 19108 7774 1 9 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.413 0.302 19108 7775 1 9 . 1 1 116 116 GLU H H 116 7.448 7.448 7.756 -0.308 19108 7776 1 9 . 1 1 117 117 ASN N N 117 119.831 119.831 116.769 3.062 19108 7777 1 9 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.935 0.130 19108 7778 1 9 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.563 -0.378 19108 7779 1 9 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.186 0.060 19108 7780 1 9 . 1 1 117 117 ASN H H 117 7.632 7.632 7.536 0.096 19108 7781 1 9 . 1 1 118 118 THR N N 118 111.041 111.041 113.224 -2.183 19108 7782 1 9 . 1 1 118 118 THR HA H 118 4.317 4.317 3.876 0.441 19108 7783 1 9 . 1 1 118 118 THR CA C 118 64.081 64.081 64.582 -0.501 19108 7784 1 9 . 1 1 118 118 THR CB C 118 68.767 68.767 68.658 0.109 19108 7785 1 9 . 1 1 118 118 THR H H 118 8.054 8.054 7.617 0.437 19108 7786 1 9 . 1 1 119 119 HIS N N 119 120.403 120.403 115.988 4.415 19108 7787 1 9 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.667 -0.378 19108 7788 1 9 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.623 0.978 19108 7789 1 9 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.713 1.607 19108 7790 1 9 . 1 1 119 119 HIS H H 119 9.248 9.248 8.309 0.939 19108 7791 1 9 . 1 1 120 120 VAL N N 120 120.001 120.001 118.313 1.688 19108 7792 1 9 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.589 -0.063 19108 7793 1 9 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.348 1.542 19108 7794 1 9 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.121 -2.126 19108 7795 1 9 . 1 1 120 120 VAL H H 120 7.379 7.379 7.562 -0.183 19108 7796 1 9 . 1 1 121 121 ARG N N 121 125.312 125.312 123.207 2.105 19108 7797 1 9 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.441 0.369 19108 7798 1 9 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.498 -1.431 19108 7799 1 9 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.056 -1.476 19108 7800 1 9 . 1 1 121 121 ARG H H 121 8.775 8.775 8.218 0.557 19108 7801 1 9 . 1 1 122 122 LEU N N 122 125.483 125.483 124.285 1.198 19108 7802 1 9 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.891 0.269 19108 7803 1 9 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.938 -0.637 19108 7804 1 9 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.297 2.374 19108 7805 1 9 . 1 1 122 122 LEU H H 122 9.345 9.345 8.588 0.757 19108 7806 1 9 . 1 1 123 123 ARG N N 123 127.748 127.748 125.962 1.786 19108 7807 1 9 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.431 0.305 19108 7808 1 9 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.364 -0.197 19108 7809 1 9 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.774 0.038 19108 7810 1 9 . 1 1 123 123 ARG H H 123 9.053 9.053 8.300 0.753 19108 7811 1 9 . 1 1 124 124 ILE N N 124 123.665 123.665 123.586 0.079 19108 7812 1 9 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.162 0.280 19108 7813 1 9 . 1 1 124 124 ILE CA C 124 60.759 60.759 59.886 0.873 19108 7814 1 9 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.574 2.319 19108 7815 1 9 . 1 1 124 124 ILE H H 124 9.019 9.019 8.580 0.439 19108 7816 1 9 . 1 1 125 125 PHE N N 125 126.320 126.320 125.986 0.334 19108 7817 1 9 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.483 -0.318 19108 7818 1 9 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.650 0.264 19108 7819 1 9 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.902 -1.083 19108 7820 1 9 . 1 1 125 125 PHE H H 125 9.359 9.359 8.117 1.242 19108 7821 1 9 . 1 1 126 126 ALA N N 126 124.526 124.526 127.568 -3.042 19108 7822 1 9 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.282 0.534 19108 7823 1 9 . 1 1 126 126 ALA CA C 126 48.870 48.870 49.952 -1.082 19108 7824 1 9 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.907 0.427 19108 7825 1 9 . 1 1 126 126 ALA H H 126 9.091 9.091 8.518 0.573 19108 7826 1 9 . 1 1 127 127 ALA N N 127 126.272 126.272 130.348 -4.076 19108 7827 1 9 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.432 0.319 19108 7828 1 9 . 1 1 127 127 ALA CA C 127 55.468 55.468 54.045 1.423 19108 7829 1 9 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.857 -0.252 19108 7830 1 9 . 1 1 127 127 ALA H H 127 9.049 9.049 9.220 -0.171 19108 7831 1 9 . 1 1 128 128 ARG N N 128 108.570 108.570 117.026 -8.456 19108 7832 1 9 . 1 1 128 128 ARG CA C 128 54.414 54.414 53.946 0.468 19108 7833 1 9 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.577 3.629 19108 7834 1 9 . 1 1 128 128 ARG H H 128 6.741 6.741 7.927 -1.186 19108 7835 1 9 . 1 1 129 129 ILE N N 129 121.285 121.285 120.157 1.128 19108 7836 1 9 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.228 0.063 19108 7837 1 9 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.466 0.401 19108 7838 1 9 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.357 -0.528 19108 7839 1 9 . 1 1 129 129 ILE H H 129 8.340 8.340 8.341 -0.001 19108 7840 1 9 . 1 1 130 130 TYR N N 130 130.143 130.143 124.045 6.098 19108 7841 1 9 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.313 1.022 19108 7842 1 9 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.852 -0.926 19108 7843 1 9 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.500 -2.337 19108 7844 1 9 . 1 1 130 130 TYR H H 130 8.870 8.870 8.397 0.473 19108 7845 1 9 . 1 1 131 131 ASP N N 131 123.662 123.662 124.225 -0.563 19108 7846 1 9 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.854 -1.187 19108 7847 1 9 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.384 0.329 19108 7848 1 9 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.069 -4.168 19108 7849 1 9 . 1 1 131 131 ASP H H 131 8.123 8.123 8.374 -0.251 19108 7850 1 9 . 1 1 132 132 TYR N N 132 116.852 116.852 120.535 -3.683 19108 7851 1 9 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.444 -0.529 19108 7852 1 9 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.490 -0.022 19108 7853 1 9 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.847 0.190 19108 7854 1 9 . 1 1 132 132 TYR H H 132 6.448 6.448 8.716 -2.268 19108 7855 1 9 . 1 1 133 133 ASP N N 133 116.930 116.930 119.990 -3.060 19108 7856 1 9 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.229 -1.064 19108 7857 1 9 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.675 2.107 19108 7858 1 9 . 1 1 133 133 ASP H H 133 7.005 7.005 7.710 -0.705 19108 7859 1 9 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.358 -0.255 19108 7860 1 9 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.418 -0.717 19108 7861 1 9 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.939 0.152 19108 7862 1 9 . 1 1 135 135 LEU N N 135 120.252 120.252 118.270 1.982 19108 7863 1 9 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.836 0.862 19108 7864 1 9 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.907 -2.526 19108 7865 1 9 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.353 -1.609 19108 7866 1 9 . 1 1 135 135 LEU H H 135 8.456 8.456 7.631 0.825 19108 7867 1 9 . 1 1 136 136 TYR N N 136 117.432 117.432 118.563 -1.131 19108 7868 1 9 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.896 0.165 19108 7869 1 9 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.458 0.600 19108 7870 1 9 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.081 0.499 19108 7871 1 9 . 1 1 136 136 TYR H H 136 8.028 8.028 7.995 0.033 19108 7872 1 9 . 1 1 137 137 LYS N N 137 122.000 122.000 118.960 3.040 19108 7873 1 9 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.283 1.016 19108 7874 1 9 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.573 -0.775 19108 7875 1 9 . 1 1 137 137 LYS H H 137 7.503 7.503 7.436 0.067 19108 7876 1 9 . 1 1 138 138 GLU N N 138 121.833 121.833 118.884 2.949 19108 7877 1 9 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.131 0.710 19108 7878 1 9 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.540 -2.071 19108 7879 1 9 . 1 1 138 138 GLU H H 138 8.752 8.752 7.688 1.064 19108 7880 1 9 . 1 1 139 139 ALA N N 139 119.592 119.592 123.045 -3.453 19108 7881 1 9 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.093 -0.247 19108 7882 1 9 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.353 -0.213 19108 7883 1 9 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.136 2.119 19108 7884 1 9 . 1 1 139 139 ALA H H 139 7.682 7.682 7.542 0.140 19108 7885 1 9 . 1 1 140 140 LEU N N 140 116.268 116.268 119.009 -2.741 19108 7886 1 9 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.120 0.073 19108 7887 1 9 . 1 1 140 140 LEU CB C 140 41.095 41.095 40.982 0.113 19108 7888 1 9 . 1 1 140 140 LEU H H 140 7.175 7.175 7.852 -0.677 19108 7889 1 9 . 1 1 141 141 GLN N N 141 117.550 117.550 117.461 0.089 19108 7890 1 9 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.928 -0.209 19108 7891 1 9 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.271 0.780 19108 7892 1 9 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.145 -0.551 19108 7893 1 9 . 1 1 141 141 GLN H H 141 8.322 8.322 7.647 0.675 19108 7894 1 9 . 1 1 142 142 MET N N 142 118.520 118.520 120.382 -1.862 19108 7895 1 9 . 1 1 142 142 MET HA H 142 4.135 4.135 4.125 0.010 19108 7896 1 9 . 1 1 142 142 MET CA C 142 59.051 59.051 58.494 0.557 19108 7897 1 9 . 1 1 142 142 MET CB C 142 33.170 33.170 32.468 0.702 19108 7898 1 9 . 1 1 142 142 MET H H 142 8.241 8.241 8.355 -0.114 19108 7899 1 9 . 1 1 143 143 LEU N N 143 118.659 118.659 119.683 -1.024 19108 7900 1 9 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.899 0.393 19108 7901 1 9 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.218 -0.103 19108 7902 1 9 . 1 1 143 143 LEU CB C 143 41.377 41.377 40.962 0.415 19108 7903 1 9 . 1 1 143 143 LEU H H 143 7.932 7.932 7.744 0.188 19108 7904 1 9 . 1 1 144 144 ARG N N 144 121.294 121.294 118.372 2.922 19108 7905 1 9 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.873 0.553 19108 7906 1 9 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.218 -0.229 19108 7907 1 9 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.521 -1.413 19108 7908 1 9 . 1 1 144 144 ARG H H 144 7.968 7.968 7.629 0.339 19108 7909 1 9 . 1 1 145 145 ASP N N 145 122.553 122.553 118.637 3.916 19108 7910 1 9 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.462 -0.033 19108 7911 1 9 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.734 -0.156 19108 7912 1 9 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.679 -1.089 19108 7913 1 9 . 1 1 145 145 ASP H H 145 8.868 8.868 7.636 1.232 19108 7914 1 9 . 1 1 146 146 ALA N N 146 120.102 120.102 120.489 -0.387 19108 7915 1 9 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.247 0.171 19108 7916 1 9 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.426 -0.392 19108 7917 1 9 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.946 -0.651 19108 7918 1 9 . 1 1 146 146 ALA H H 146 7.737 7.737 7.945 -0.208 19108 7919 1 9 . 1 1 147 147 GLY N N 147 105.039 105.039 107.015 -1.976 19108 7920 1 9 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.088 -0.224 19108 7921 1 9 . 1 1 147 147 GLY H H 147 7.966 7.966 7.816 0.150 19108 7922 1 9 . 1 1 148 148 ALA N N 148 124.181 124.181 122.886 1.295 19108 7923 1 9 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.474 0.215 19108 7924 1 9 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.853 0.606 19108 7925 1 9 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.537 -3.058 19108 7926 1 9 . 1 1 148 148 ALA H H 148 8.051 8.051 7.566 0.485 19108 7927 1 9 . 1 1 149 149 GLN N N 149 122.185 122.185 119.780 2.405 19108 7928 1 9 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.626 -0.187 19108 7929 1 9 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.524 0.431 19108 7930 1 9 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.240 -0.819 19108 7931 1 9 . 1 1 149 149 GLN H H 149 7.953 7.953 8.055 -0.102 19108 7932 1 9 . 1 1 150 150 VAL N N 150 127.399 127.399 121.141 6.258 19108 7933 1 9 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.745 0.007 19108 7934 1 9 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.261 1.178 19108 7935 1 9 . 1 1 150 150 VAL CB C 150 33.178 33.178 31.324 1.854 19108 7936 1 9 . 1 1 150 150 VAL H H 150 8.658 8.658 8.533 0.125 19108 7937 1 9 . 1 1 151 151 SER N N 151 120.616 120.616 120.901 -0.285 19108 7938 1 9 . 1 1 151 151 SER HA H 151 5.179 5.179 4.846 0.334 19108 7939 1 9 . 1 1 151 151 SER CA C 151 56.981 56.981 57.163 -0.182 19108 7940 1 9 . 1 1 151 151 SER CB C 151 66.538 66.538 66.820 -0.282 19108 7941 1 9 . 1 1 151 151 SER H H 151 8.737 8.737 8.191 0.546 19108 7942 1 9 . 1 1 152 152 ILE N N 152 123.180 123.180 122.480 0.700 19108 7943 1 9 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.541 0.606 19108 7944 1 9 . 1 1 152 152 ILE CA C 152 56.518 56.518 61.016 -4.498 19108 7945 1 9 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.469 -2.389 19108 7946 1 9 . 1 1 152 152 ILE H H 152 8.672 8.672 8.733 -0.061 19108 7947 1 9 . 1 1 153 153 MET N N 153 123.477 123.477 128.202 -4.725 19108 7948 1 9 . 1 1 153 153 MET HA H 153 3.886 3.886 4.270 -0.384 19108 7949 1 9 . 1 1 153 153 MET CA C 153 59.053 59.053 56.696 2.357 19108 7950 1 9 . 1 1 153 153 MET CB C 153 34.793 34.793 32.577 2.216 19108 7951 1 9 . 1 1 153 153 MET H H 153 8.314 8.314 8.116 0.198 19108 7952 1 9 . 1 1 154 154 THR N N 154 117.621 117.621 119.882 -2.261 19108 7953 1 9 . 1 1 154 154 THR HA H 154 4.951 4.951 4.747 0.204 19108 7954 1 9 . 1 1 154 154 THR CA C 154 60.436 60.436 60.589 -0.153 19108 7955 1 9 . 1 1 154 154 THR CB C 154 72.370 72.370 70.754 1.616 19108 7956 1 9 . 1 1 154 154 THR H H 154 9.630 9.630 7.858 1.772 19108 7957 1 9 . 1 1 155 155 TYR N N 155 121.751 121.751 124.814 -3.063 19108 7958 1 9 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.140 -0.041 19108 7959 1 9 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.612 1.827 19108 7960 1 9 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.480 0.806 19108 7961 1 9 . 1 1 155 155 TYR H H 155 9.769 9.769 9.150 0.619 19108 7962 1 9 . 1 1 156 156 ASP N N 156 115.555 115.555 117.109 -1.554 19108 7963 1 9 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.083 0.025 19108 7964 1 9 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.951 0.309 19108 7965 1 9 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.392 0.226 19108 7966 1 9 . 1 1 156 156 ASP H H 156 8.230 8.230 8.389 -0.159 19108 7967 1 9 . 1 1 157 157 GLU N N 157 117.678 117.678 120.496 -2.818 19108 7968 1 9 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.042 -0.172 19108 7969 1 9 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.471 1.036 19108 7970 1 9 . 1 1 157 157 GLU CB C 157 31.048 31.048 28.976 2.072 19108 7971 1 9 . 1 1 157 157 GLU H H 157 7.470 7.470 8.125 -0.655 19108 7972 1 9 . 1 1 158 158 PHE N N 158 119.869 119.869 120.017 -0.148 19108 7973 1 9 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.769 0.060 19108 7974 1 9 . 1 1 158 158 PHE CA C 158 62.776 62.776 62.211 0.565 19108 7975 1 9 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.320 1.587 19108 7976 1 9 . 1 1 158 158 PHE H H 158 8.077 8.077 8.706 -0.629 19108 7977 1 9 . 1 1 159 159 LYS N N 159 118.859 118.859 119.156 -0.297 19108 7978 1 9 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.710 0.207 19108 7979 1 9 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.063 -0.832 19108 7980 1 9 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.276 -0.313 19108 7981 1 9 . 1 1 159 159 LYS H H 159 8.273 8.273 7.450 0.823 19108 7982 1 9 . 1 1 160 160 HIS N N 160 115.889 115.889 119.092 -3.203 19108 7983 1 9 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.128 0.031 19108 7984 1 9 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.787 1.194 19108 7985 1 9 . 1 1 160 160 HIS CB C 160 27.930 27.930 28.926 -0.996 19108 7986 1 9 . 1 1 160 160 HIS H H 160 7.695 7.695 7.630 0.065 19108 7987 1 9 . 1 1 161 161 CYS N N 161 118.188 118.188 118.261 -0.073 19108 7988 1 9 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.041 0.748 19108 7989 1 9 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.837 -0.043 19108 7990 1 9 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.812 1.073 19108 7991 1 9 . 1 1 161 161 CYS H H 161 7.885 7.885 7.763 0.122 19108 7992 1 9 . 1 1 162 162 TRP N N 162 122.741 122.741 121.889 0.852 19108 7993 1 9 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.186 0.578 19108 7994 1 9 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.963 -0.246 19108 7995 1 9 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.602 -0.008 19108 7996 1 9 . 1 1 162 162 TRP H H 162 8.040 8.040 8.286 -0.246 19108 7997 1 9 . 1 1 163 163 ASP N N 163 113.796 113.796 119.894 -6.098 19108 7998 1 9 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.883 0.243 19108 7999 1 9 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.468 0.461 19108 8000 1 9 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.382 0.153 19108 8001 1 9 . 1 1 163 163 ASP H H 163 8.319 8.319 8.162 0.157 19108 8002 1 9 . 1 1 164 164 THR N N 164 112.008 112.008 115.750 -3.742 19108 8003 1 9 . 1 1 164 164 THR HA H 164 3.803 3.803 3.880 -0.077 19108 8004 1 9 . 1 1 164 164 THR CA C 164 65.164 65.164 66.013 -0.849 19108 8005 1 9 . 1 1 164 164 THR CB C 164 70.171 70.171 68.709 1.462 19108 8006 1 9 . 1 1 164 164 THR H H 164 7.494 7.494 8.076 -0.582 19108 8007 1 9 . 1 1 165 165 PHE N N 165 115.079 115.079 116.891 -1.812 19108 8008 1 9 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.528 0.007 19108 8009 1 9 . 1 1 165 165 PHE CA C 165 57.969 57.969 56.828 1.141 19108 8010 1 9 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.428 0.940 19108 8011 1 9 . 1 1 165 165 PHE H H 165 8.235 8.235 7.812 0.423 19108 8012 1 9 . 1 1 166 166 VAL N N 166 118.432 118.432 118.730 -0.298 19108 8013 1 9 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.206 -0.181 19108 8014 1 9 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.226 0.775 19108 8015 1 9 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.320 -3.965 19108 8016 1 9 . 1 1 166 166 VAL H H 166 6.838 6.838 7.009 -0.171 19108 8017 1 9 . 1 1 167 167 ASP N N 167 126.263 126.263 123.704 2.559 19108 8018 1 9 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.359 -0.511 19108 8019 1 9 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.647 -2.017 19108 8020 1 9 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.519 -1.439 19108 8021 1 9 . 1 1 167 167 ASP H H 167 8.498 8.498 8.107 0.391 19108 8022 1 9 . 1 1 168 168 HIS N N 168 119.890 119.890 118.497 1.393 19108 8023 1 9 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.212 0.134 19108 8024 1 9 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.807 -2.232 19108 8025 1 9 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.207 2.255 19108 8026 1 9 . 1 1 168 168 HIS H H 168 6.977 6.977 7.159 -0.182 19108 8027 1 9 . 1 1 169 169 GLN N N 169 119.254 119.254 115.692 3.562 19108 8028 1 9 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.027 -0.304 19108 8029 1 9 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.719 0.051 19108 8030 1 9 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.065 -0.544 19108 8031 1 9 . 1 1 169 169 GLN H H 169 9.126 9.126 8.949 0.177 19108 8032 1 9 . 1 1 170 170 GLY N N 170 111.911 111.911 101.957 9.954 19108 8033 1 9 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.347 0.477 19108 8034 1 9 . 1 1 170 170 GLY H H 170 11.556 11.556 5.253 6.303 19108 8035 1 9 . 1 1 171 171 CYS N N 171 123.390 123.390 122.269 1.121 19108 8036 1 9 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.962 -0.246 19108 8037 1 9 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.807 1.978 19108 8038 1 9 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.820 -0.916 19108 8039 1 9 . 1 1 171 171 CYS H H 171 8.044 8.044 7.277 0.767 19108 8040 1 9 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.635 -0.017 19108 8041 1 9 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.281 -0.423 19108 8042 1 9 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.344 0.185 19108 8043 1 9 . 1 1 173 173 PHE N N 173 121.101 121.101 120.301 0.800 19108 8044 1 9 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.765 -0.109 19108 8045 1 9 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.778 -1.237 19108 8046 1 9 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.120 -0.374 19108 8047 1 9 . 1 1 173 173 PHE H H 173 8.842 8.842 7.951 0.891 19108 8048 1 9 . 1 1 174 174 GLN N N 174 129.493 129.493 126.643 2.850 19108 8049 1 9 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.057 0.260 19108 8050 1 9 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.169 -0.374 19108 8051 1 9 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.560 -0.463 19108 8052 1 9 . 1 1 174 174 GLN H H 174 7.250 7.250 7.100 0.150 19108 8053 1 9 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.540 -0.626 19108 8054 1 9 . 1 1 175 175 PRO CA C 175 62.423 62.423 61.993 0.430 19108 8055 1 9 . 1 1 176 176 TRP N N 176 118.133 118.133 123.637 -5.504 19108 8056 1 9 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.609 0.024 19108 8057 1 9 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.905 0.257 19108 8058 1 9 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.324 -0.435 19108 8059 1 9 . 1 1 176 176 TRP H H 176 5.591 5.591 6.655 -1.064 19108 8060 1 9 . 1 1 177 177 ASP N N 177 121.814 121.814 120.153 1.661 19108 8061 1 9 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.534 -0.137 19108 8062 1 9 . 1 1 177 177 ASP CA C 177 56.172 56.172 53.227 2.945 19108 8063 1 9 . 1 1 177 177 ASP CB C 177 40.675 40.675 38.850 1.825 19108 8064 1 9 . 1 1 177 177 ASP H H 177 8.848 8.848 8.556 0.292 19108 8065 1 9 . 1 1 178 178 GLY N N 178 111.875 111.875 109.802 2.073 19108 8066 1 9 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.403 0.263 19108 8067 1 9 . 1 1 178 178 GLY H H 178 8.987 8.987 8.096 0.891 19108 8068 1 9 . 1 1 179 179 LEU N N 179 121.470 121.470 121.713 -0.243 19108 8069 1 9 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.251 0.237 19108 8070 1 9 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.265 3.517 19108 8071 1 9 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.112 0.117 19108 8072 1 9 . 1 1 179 179 LEU H H 179 7.148 7.148 8.102 -0.954 19108 8073 1 9 . 1 1 180 180 ASP N N 180 119.476 119.476 118.246 1.230 19108 8074 1 9 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.242 0.250 19108 8075 1 9 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.768 0.171 19108 8076 1 9 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.010 0.703 19108 8077 1 9 . 1 1 180 180 ASP H H 180 8.874 8.874 8.653 0.221 19108 8078 1 9 . 1 1 181 181 GLU N N 181 122.379 122.379 119.301 3.078 19108 8079 1 9 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.153 -0.141 19108 8080 1 9 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.518 0.451 19108 8081 1 9 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.684 -0.758 19108 8082 1 9 . 1 1 181 181 GLU H H 181 8.712 8.712 8.425 0.287 19108 8083 1 9 . 1 1 182 182 HIS N N 182 118.572 118.572 118.114 0.458 19108 8084 1 9 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.505 0.249 19108 8085 1 9 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.477 0.552 19108 8086 1 9 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.332 -0.485 19108 8087 1 9 . 1 1 182 182 HIS H H 182 8.854 8.854 7.869 0.985 19108 8088 1 9 . 1 1 183 183 SER N N 183 116.329 116.329 116.477 -0.148 19108 8089 1 9 . 1 1 183 183 SER HA H 183 4.554 4.554 4.243 0.311 19108 8090 1 9 . 1 1 183 183 SER CA C 183 63.604 63.604 62.162 1.442 19108 8091 1 9 . 1 1 183 183 SER CB C 183 65.216 65.216 62.457 2.759 19108 8092 1 9 . 1 1 183 183 SER H H 183 8.665 8.665 8.247 0.418 19108 8093 1 9 . 1 1 184 184 GLN N N 184 122.215 122.215 120.676 1.539 19108 8094 1 9 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.072 0.175 19108 8095 1 9 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.587 0.373 19108 8096 1 9 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.549 0.386 19108 8097 1 9 . 1 1 184 184 GLN H H 184 8.714 8.714 7.529 1.185 19108 8098 1 9 . 1 1 185 185 ALA N N 185 124.432 124.432 123.020 1.412 19108 8099 1 9 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.042 0.242 19108 8100 1 9 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.191 0.279 19108 8101 1 9 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.162 0.212 19108 8102 1 9 . 1 1 185 185 ALA H H 185 8.258 8.258 7.666 0.592 19108 8103 1 9 . 1 1 186 186 LEU N N 186 119.941 119.941 118.192 1.749 19108 8104 1 9 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.979 0.233 19108 8105 1 9 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.735 0.481 19108 8106 1 9 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.561 1.203 19108 8107 1 9 . 1 1 186 186 LEU H H 186 8.953 8.953 7.750 1.203 19108 8108 1 9 . 1 1 187 187 SER N N 187 116.987 116.987 114.070 2.917 19108 8109 1 9 . 1 1 187 187 SER HA H 187 4.039 4.039 4.213 -0.174 19108 8110 1 9 . 1 1 187 187 SER CA C 187 63.302 63.302 61.584 1.718 19108 8111 1 9 . 1 1 187 187 SER CB C 187 62.760 62.760 62.590 0.170 19108 8112 1 9 . 1 1 187 187 SER H H 187 8.935 8.935 8.638 0.297 19108 8113 1 9 . 1 1 188 188 GLY N N 188 110.215 110.215 109.722 0.493 19108 8114 1 9 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.576 0.578 19108 8115 1 9 . 1 1 188 188 GLY H H 188 8.228 8.228 8.051 0.177 19108 8116 1 9 . 1 1 189 189 ARG N N 189 122.994 122.994 123.088 -0.094 19108 8117 1 9 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.992 0.245 19108 8118 1 9 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.944 0.615 19108 8119 1 9 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.967 0.428 19108 8120 1 9 . 1 1 189 189 ARG H H 189 7.838 7.838 7.596 0.242 19108 8121 1 9 . 1 1 190 190 LEU N N 190 119.765 119.765 119.595 0.170 19108 8122 1 9 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.034 0.204 19108 8123 1 9 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.584 -0.365 19108 8124 1 9 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.928 -0.686 19108 8125 1 9 . 1 1 190 190 LEU H H 190 8.791 8.791 7.759 1.032 19108 8126 1 9 . 1 1 191 191 ARG N N 191 118.427 118.427 118.732 -0.305 19108 8127 1 9 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.853 0.190 19108 8128 1 9 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.510 0.272 19108 8129 1 9 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.087 0.103 19108 8130 1 9 . 1 1 191 191 ARG H H 191 8.305 8.305 7.738 0.567 19108 8131 1 9 . 1 1 192 192 ALA N N 192 119.414 119.414 121.792 -2.378 19108 8132 1 9 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.128 0.089 19108 8133 1 9 . 1 1 192 192 ALA CA C 192 54.716 54.716 55.015 -0.299 19108 8134 1 9 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.025 0.140 19108 8135 1 9 . 1 1 192 192 ALA H H 192 7.414 7.414 7.792 -0.378 19108 8136 1 9 . 1 1 193 193 ILE N N 193 118.949 118.949 118.811 0.138 19108 8137 1 9 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.647 0.123 19108 8138 1 9 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.199 0.639 19108 8139 1 9 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.687 1.760 19108 8140 1 9 . 1 1 193 193 ILE H H 193 7.896 7.896 7.292 0.604 19108 8141 1 9 . 1 1 194 194 LEU N N 194 116.435 116.435 115.244 1.191 19108 8142 1 9 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.050 0.223 19108 8143 1 9 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.573 -0.860 19108 8144 1 9 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.615 -1.144 19108 8145 1 9 . 1 1 194 194 LEU H H 194 8.296 8.296 7.570 0.726 19108 8146 1 9 . 1 1 195 195 GLN N N 195 118.580 118.580 118.320 0.260 19108 8147 1 9 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.229 0.106 19108 8148 1 9 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.481 0.936 19108 8149 1 9 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.341 1.257 19108 8150 1 9 . 1 1 195 195 GLN H H 195 7.921 7.921 7.800 0.121 19108 8151 1 9 . 1 1 196 196 ASN N N 196 118.941 118.941 123.635 -4.694 19108 8152 1 9 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.548 0.154 19108 8153 1 9 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.275 -0.825 19108 8154 1 9 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.822 0.003 19108 8155 1 9 . 1 1 196 196 ASN H H 196 8.078 8.078 8.329 -0.251 19108 8156 1 9 . 1 1 197 197 GLN N N 197 120.984 120.984 117.434 3.550 19108 8157 1 9 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.454 -0.098 19108 8158 1 9 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.126 1.040 19108 8159 1 9 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.211 -0.715 19108 8160 1 9 . 1 1 197 197 GLN H H 197 8.526 8.526 7.702 0.824 19108 8161 1 9 . 1 1 198 198 GLY N N 198 109.565 109.565 110.340 -0.775 19108 8162 1 9 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.519 -0.135 19108 8163 1 9 . 1 1 198 198 GLY H H 198 8.467 8.467 8.678 -0.211 19108 8164 1 10 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.743 -0.369 19108 8165 1 10 . 1 1 2 2 GLU CA C 2 56.348 56.348 57.367 -1.019 19108 8166 1 10 . 1 1 2 2 GLU CB C 2 30.453 30.453 31.293 -0.840 19108 8167 1 10 . 1 1 3 3 ALA N N 3 125.932 125.932 125.107 0.825 19108 8168 1 10 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.424 -0.074 19108 8169 1 10 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.724 0.683 19108 8170 1 10 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.873 -0.293 19108 8171 1 10 . 1 1 3 3 ALA H H 3 8.526 8.526 8.332 0.194 19108 8172 1 10 . 1 1 4 4 SER N N 4 116.729 116.729 114.576 2.153 19108 8173 1 10 . 1 1 4 4 SER HA H 4 4.766 4.766 4.129 0.637 19108 8174 1 10 . 1 1 4 4 SER CA C 4 56.283 56.283 58.056 -1.773 19108 8175 1 10 . 1 1 4 4 SER CB C 4 63.278 63.278 62.093 1.185 19108 8176 1 10 . 1 1 4 4 SER H H 4 8.397 8.397 8.272 0.125 19108 8177 1 10 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.197 0.249 19108 8178 1 10 . 1 1 5 5 PRO CA C 5 63.306 63.306 64.712 -1.406 19108 8179 1 10 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.956 0.141 19108 8180 1 10 . 1 1 6 6 ALA N N 6 124.236 124.236 120.433 3.803 19108 8181 1 10 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.518 -0.185 19108 8182 1 10 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.371 1.192 19108 8183 1 10 . 1 1 6 6 ALA CB C 6 19.334 19.334 17.904 1.430 19108 8184 1 10 . 1 1 6 6 ALA H H 6 8.411 8.411 7.978 0.433 19108 8185 1 10 . 1 1 7 7 SER N N 7 114.497 114.497 118.434 -3.937 19108 8186 1 10 . 1 1 7 7 SER HA H 7 4.475 4.475 4.319 0.156 19108 8187 1 10 . 1 1 7 7 SER CA C 7 58.258 58.258 59.275 -1.017 19108 8188 1 10 . 1 1 7 7 SER CB C 7 64.174 64.174 63.786 0.388 19108 8189 1 10 . 1 1 7 7 SER H H 7 8.195 8.195 8.275 -0.080 19108 8190 1 10 . 1 1 8 8 GLY N N 8 110.497 110.497 109.031 1.466 19108 8191 1 10 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.896 -0.050 19108 8192 1 10 . 1 1 8 8 GLY H H 8 8.226 8.226 7.479 0.747 19108 8193 1 10 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.191 0.258 19108 8194 1 10 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.611 -0.177 19108 8195 1 10 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.117 0.076 19108 8196 1 10 . 1 1 10 10 ARG N N 10 120.534 120.534 118.238 2.296 19108 8197 1 10 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.084 0.257 19108 8198 1 10 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.751 -0.735 19108 8199 1 10 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.083 0.726 19108 8200 1 10 . 1 1 10 10 ARG H H 10 8.469 8.469 8.173 0.296 19108 8201 1 10 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.656 0.169 19108 8202 1 10 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.560 -0.099 19108 8203 1 10 . 1 1 11 11 HIS CB C 11 30.191 30.191 31.073 -0.881 19108 8204 1 10 . 1 1 12 12 LEU N N 12 122.284 122.284 125.491 -3.207 19108 8205 1 10 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.644 0.965 19108 8206 1 10 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.579 1.451 19108 8207 1 10 . 1 1 12 12 LEU H H 12 8.250 8.250 8.275 -0.025 19108 8208 1 10 . 1 1 13 13 MET N N 13 121.493 121.493 119.574 1.919 19108 8209 1 10 . 1 1 13 13 MET HA H 13 4.038 4.038 4.273 -0.235 19108 8210 1 10 . 1 1 13 13 MET CA C 13 54.449 54.449 55.824 -1.375 19108 8211 1 10 . 1 1 13 13 MET CB C 13 35.015 35.015 34.023 0.992 19108 8212 1 10 . 1 1 13 13 MET H H 13 8.955 8.955 7.784 1.171 19108 8213 1 10 . 1 1 14 14 ASP N N 14 127.113 127.113 123.012 4.101 19108 8214 1 10 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.719 -0.619 19108 8215 1 10 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.183 -0.727 19108 8216 1 10 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.598 1.912 19108 8217 1 10 . 1 1 14 14 ASP H H 14 8.514 8.514 8.545 -0.031 19108 8218 1 10 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.196 -0.343 19108 8219 1 10 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.841 -0.187 19108 8220 1 10 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.127 -0.476 19108 8221 1 10 . 1 1 16 16 HIS N N 16 115.776 115.776 116.769 -0.993 19108 8222 1 10 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.446 -0.168 19108 8223 1 10 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.047 -1.129 19108 8224 1 10 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.419 -0.211 19108 8225 1 10 . 1 1 16 16 HIS H H 16 8.591 8.591 8.464 0.127 19108 8226 1 10 . 1 1 17 17 ILE N N 17 122.675 122.675 119.115 3.560 19108 8227 1 10 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.529 -0.045 19108 8228 1 10 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.814 -1.588 19108 8229 1 10 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.843 -0.745 19108 8230 1 10 . 1 1 17 17 ILE H H 17 7.558 7.558 8.197 -0.639 19108 8231 1 10 . 1 1 18 18 PHE N N 18 120.513 120.513 120.864 -0.351 19108 8232 1 10 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.209 -0.206 19108 8233 1 10 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.806 0.998 19108 8234 1 10 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.643 -0.003 19108 8235 1 10 . 1 1 18 18 PHE H H 18 7.831 7.831 8.472 -0.641 19108 8236 1 10 . 1 1 19 19 THR N N 19 114.555 114.555 116.186 -1.631 19108 8237 1 10 . 1 1 19 19 THR HA H 19 3.657 3.657 4.184 -0.527 19108 8238 1 10 . 1 1 19 19 THR CA C 19 66.485 66.485 66.701 -0.216 19108 8239 1 10 . 1 1 19 19 THR CB C 19 68.345 68.345 68.280 0.065 19108 8240 1 10 . 1 1 19 19 THR H H 19 9.036 9.036 8.882 0.154 19108 8241 1 10 . 1 1 20 20 SER N N 20 113.030 113.030 116.321 -3.291 19108 8242 1 10 . 1 1 20 20 SER HA H 20 4.062 4.062 4.172 -0.110 19108 8243 1 10 . 1 1 20 20 SER CA C 20 60.610 60.610 61.037 -0.427 19108 8244 1 10 . 1 1 20 20 SER CB C 20 63.843 63.843 62.791 1.052 19108 8245 1 10 . 1 1 20 20 SER H H 20 7.809 7.809 8.494 -0.685 19108 8246 1 10 . 1 1 21 21 ASN N N 21 115.629 115.629 121.871 -6.242 19108 8247 1 10 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.326 0.085 19108 8248 1 10 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.141 1.848 19108 8249 1 10 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.566 4.014 19108 8250 1 10 . 1 1 21 21 ASN H H 21 7.362 7.362 7.414 -0.052 19108 8251 1 10 . 1 1 22 22 PHE N N 22 117.773 117.773 115.435 2.338 19108 8252 1 10 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.753 -0.480 19108 8253 1 10 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.113 -0.653 19108 8254 1 10 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.002 -1.172 19108 8255 1 10 . 1 1 22 22 PHE H H 22 8.296 8.296 8.073 0.223 19108 8256 1 10 . 1 1 23 23 ASN N N 23 115.026 115.026 120.599 -5.573 19108 8257 1 10 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.555 -0.026 19108 8258 1 10 . 1 1 23 23 ASN CA C 23 53.642 53.642 55.170 -1.528 19108 8259 1 10 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.710 -2.087 19108 8260 1 10 . 1 1 23 23 ASN H H 23 6.097 6.097 7.706 -1.609 19108 8261 1 10 . 1 1 24 24 ASN N N 24 122.900 122.900 117.633 5.267 19108 8262 1 10 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.499 -0.066 19108 8263 1 10 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.396 -1.123 19108 8264 1 10 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.878 0.014 19108 8265 1 10 . 1 1 24 24 ASN H H 24 7.083 7.083 8.155 -1.072 19108 8266 1 10 . 1 1 25 25 GLY N N 25 105.587 105.587 109.291 -3.704 19108 8267 1 10 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.633 0.232 19108 8268 1 10 . 1 1 25 25 GLY H H 25 8.520 8.520 8.330 0.190 19108 8269 1 10 . 1 1 26 26 ILE N N 26 120.182 120.182 118.726 1.456 19108 8270 1 10 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.671 -0.497 19108 8271 1 10 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.276 2.167 19108 8272 1 10 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.367 1.148 19108 8273 1 10 . 1 1 26 26 ILE H H 26 6.944 6.944 7.668 -0.724 19108 8274 1 10 . 1 1 27 27 GLY N N 27 111.665 111.665 107.168 4.497 19108 8275 1 10 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.399 -0.080 19108 8276 1 10 . 1 1 27 27 GLY H H 27 8.457 8.457 8.335 0.122 19108 8277 1 10 . 1 1 28 28 ARG N N 28 117.565 117.565 119.397 -1.832 19108 8278 1 10 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.777 -1.212 19108 8279 1 10 . 1 1 28 28 ARG H H 28 6.741 6.741 8.025 -1.284 19108 8280 1 10 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.524 2.479 19108 8281 1 10 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.029 1.014 19108 8282 1 10 . 1 1 29 29 HIS H H 29 8.636 8.636 8.554 0.082 19108 8283 1 10 . 1 1 30 30 LYS N N 30 119.344 119.344 123.443 -4.099 19108 8284 1 10 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.537 -0.116 19108 8285 1 10 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.090 0.774 19108 8286 1 10 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.527 1.664 19108 8287 1 10 . 1 1 30 30 LYS H H 30 7.870 7.870 7.458 0.412 19108 8288 1 10 . 1 1 31 31 THR N N 31 118.233 118.233 114.594 3.639 19108 8289 1 10 . 1 1 31 31 THR HA H 31 4.125 4.125 3.680 0.445 19108 8290 1 10 . 1 1 31 31 THR CA C 31 63.175 63.175 62.851 0.324 19108 8291 1 10 . 1 1 31 31 THR H H 31 8.436 8.436 7.328 1.108 19108 8292 1 10 . 1 1 32 32 TYR N N 32 124.026 124.026 120.435 3.591 19108 8293 1 10 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.933 0.003 19108 8294 1 10 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.457 0.044 19108 8295 1 10 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.674 1.730 19108 8296 1 10 . 1 1 32 32 TYR H H 32 8.244 8.244 8.390 -0.146 19108 8297 1 10 . 1 1 33 33 LEU N N 33 125.428 125.428 124.220 1.208 19108 8298 1 10 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.408 -0.329 19108 8299 1 10 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.497 1.341 19108 8300 1 10 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.205 1.779 19108 8301 1 10 . 1 1 33 33 LEU H H 33 9.232 9.232 8.446 0.786 19108 8302 1 10 . 1 1 34 34 CYS N N 34 125.975 125.975 125.967 0.008 19108 8303 1 10 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.237 -0.231 19108 8304 1 10 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.315 0.830 19108 8305 1 10 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.924 0.378 19108 8306 1 10 . 1 1 34 34 CYS H H 34 9.640 9.640 9.214 0.426 19108 8307 1 10 . 1 1 35 35 TYR N N 35 121.183 121.183 121.592 -0.409 19108 8308 1 10 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.843 0.645 19108 8309 1 10 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.045 -0.263 19108 8310 1 10 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.964 2.126 19108 8311 1 10 . 1 1 35 35 TYR H H 35 9.094 9.094 9.112 -0.018 19108 8312 1 10 . 1 1 36 36 GLU N N 36 115.538 115.538 121.235 -5.697 19108 8313 1 10 . 1 1 36 36 GLU HA H 36 5.435 5.435 5.041 0.394 19108 8314 1 10 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.611 0.780 19108 8315 1 10 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.040 0.504 19108 8316 1 10 . 1 1 36 36 GLU H H 36 8.977 8.977 8.728 0.249 19108 8317 1 10 . 1 1 37 37 VAL N N 37 121.600 121.600 123.803 -2.203 19108 8318 1 10 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.686 0.473 19108 8319 1 10 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.730 1.317 19108 8320 1 10 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.560 1.510 19108 8321 1 10 . 1 1 37 37 VAL H H 37 9.271 9.271 8.980 0.291 19108 8322 1 10 . 1 1 38 38 GLU N N 38 125.227 125.227 125.596 -0.369 19108 8323 1 10 . 1 1 38 38 GLU HA H 38 5.218 5.218 4.997 0.221 19108 8324 1 10 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.683 -0.431 19108 8325 1 10 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.479 1.448 19108 8326 1 10 . 1 1 38 38 GLU H H 38 9.114 9.114 8.311 0.803 19108 8327 1 10 . 1 1 39 39 ARG N N 39 124.872 124.872 125.960 -1.088 19108 8328 1 10 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.385 0.980 19108 8329 1 10 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.998 -0.751 19108 8330 1 10 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.574 0.991 19108 8331 1 10 . 1 1 39 39 ARG H H 39 9.215 9.215 8.320 0.895 19108 8332 1 10 . 1 1 40 40 LEU N N 40 126.510 126.510 126.017 0.493 19108 8333 1 10 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.828 -0.075 19108 8334 1 10 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.992 0.332 19108 8335 1 10 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.569 -2.726 19108 8336 1 10 . 1 1 40 40 LEU H H 40 8.659 8.659 7.759 0.900 19108 8337 1 10 . 1 1 41 41 ASP N N 41 124.410 124.410 121.353 3.057 19108 8338 1 10 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.665 0.128 19108 8339 1 10 . 1 1 41 41 ASP CA C 41 53.218 53.218 54.288 -1.070 19108 8340 1 10 . 1 1 41 41 ASP CB C 41 41.733 41.733 43.199 -1.466 19108 8341 1 10 . 1 1 41 41 ASP H H 41 8.575 8.575 8.162 0.413 19108 8342 1 10 . 1 1 42 42 ASN N N 42 123.319 123.319 122.387 0.932 19108 8343 1 10 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.387 0.033 19108 8344 1 10 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.916 0.258 19108 8345 1 10 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.219 -0.372 19108 8346 1 10 . 1 1 42 42 ASN H H 42 9.048 9.048 8.984 0.064 19108 8347 1 10 . 1 1 43 43 GLY N N 43 106.044 106.044 103.587 2.457 19108 8348 1 10 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.267 0.127 19108 8349 1 10 . 1 1 43 43 GLY H H 43 8.548 8.548 8.340 0.208 19108 8350 1 10 . 1 1 44 44 THR N N 44 115.893 115.893 121.263 -5.370 19108 8351 1 10 . 1 1 44 44 THR HA H 44 4.524 4.524 4.198 0.326 19108 8352 1 10 . 1 1 44 44 THR CA C 44 61.285 61.285 62.964 -1.679 19108 8353 1 10 . 1 1 44 44 THR CB C 44 70.572 70.572 68.771 1.801 19108 8354 1 10 . 1 1 44 44 THR H H 44 7.833 7.833 7.827 0.007 19108 8355 1 10 . 1 1 45 45 SER N N 45 119.589 119.589 123.706 -4.117 19108 8356 1 10 . 1 1 45 45 SER HA H 45 4.804 4.804 5.081 -0.277 19108 8357 1 10 . 1 1 45 45 SER CA C 45 58.080 58.080 57.156 0.924 19108 8358 1 10 . 1 1 45 45 SER CB C 45 64.265 64.265 63.705 0.560 19108 8359 1 10 . 1 1 45 45 SER H H 45 8.590 8.590 8.493 0.097 19108 8360 1 10 . 1 1 46 46 VAL N N 46 125.827 125.827 120.724 5.103 19108 8361 1 10 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.386 -0.093 19108 8362 1 10 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.163 1.680 19108 8363 1 10 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.719 0.798 19108 8364 1 10 . 1 1 46 46 VAL H H 46 9.034 9.034 8.717 0.317 19108 8365 1 10 . 1 1 47 47 LYS N N 47 126.528 126.528 128.428 -1.900 19108 8366 1 10 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.283 0.002 19108 8367 1 10 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.947 1.718 19108 8368 1 10 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.622 0.170 19108 8369 1 10 . 1 1 47 47 LYS H H 47 8.738 8.738 8.475 0.263 19108 8370 1 10 . 1 1 48 48 MET N N 48 122.645 122.645 126.721 -4.076 19108 8371 1 10 . 1 1 48 48 MET HA H 48 5.195 5.195 4.379 0.816 19108 8372 1 10 . 1 1 48 48 MET CA C 48 54.747 54.747 57.116 -2.369 19108 8373 1 10 . 1 1 48 48 MET CB C 48 32.379 32.379 33.153 -0.774 19108 8374 1 10 . 1 1 48 48 MET H H 48 8.334 8.334 8.293 0.041 19108 8375 1 10 . 1 1 49 49 ASP N N 49 123.713 123.713 119.880 3.833 19108 8376 1 10 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.605 -0.181 19108 8377 1 10 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.987 0.623 19108 8378 1 10 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.115 -0.081 19108 8379 1 10 . 1 1 49 49 ASP H H 49 8.575 8.575 8.682 -0.107 19108 8380 1 10 . 1 1 50 50 GLN N N 50 117.540 117.540 118.358 -0.818 19108 8381 1 10 . 1 1 50 50 GLN H H 50 9.110 9.110 8.329 0.781 19108 8382 1 10 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.732 0.419 19108 8383 1 10 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.366 -1.532 19108 8384 1 10 . 1 1 51 51 HIS H H 51 8.031 8.031 8.221 -0.190 19108 8385 1 10 . 1 1 52 52 ARG N N 52 117.888 117.888 119.695 -1.807 19108 8386 1 10 . 1 1 52 52 ARG HA H 52 5.237 5.237 5.162 0.075 19108 8387 1 10 . 1 1 52 52 ARG CA C 52 55.055 55.055 53.883 1.172 19108 8388 1 10 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.822 1.232 19108 8389 1 10 . 1 1 52 52 ARG H H 52 7.685 7.685 7.834 -0.149 19108 8390 1 10 . 1 1 53 53 GLY N N 53 108.573 108.573 107.730 0.843 19108 8391 1 10 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.992 0.716 19108 8392 1 10 . 1 1 53 53 GLY H H 53 7.529 7.529 7.741 -0.212 19108 8393 1 10 . 1 1 54 54 PHE N N 54 113.146 113.146 117.831 -4.685 19108 8394 1 10 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.851 0.144 19108 8395 1 10 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.593 0.263 19108 8396 1 10 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.225 2.138 19108 8397 1 10 . 1 1 54 54 PHE H H 54 8.287 8.287 7.854 0.433 19108 8398 1 10 . 1 1 55 55 LEU N N 55 119.389 119.389 118.335 1.054 19108 8399 1 10 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.761 -0.066 19108 8400 1 10 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.712 1.000 19108 8401 1 10 . 1 1 55 55 LEU CB C 55 46.628 46.628 44.836 1.792 19108 8402 1 10 . 1 1 55 55 LEU H H 55 9.452 9.452 8.576 0.876 19108 8403 1 10 . 1 1 56 56 HIS N N 56 114.176 114.176 116.291 -2.115 19108 8404 1 10 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.145 0.294 19108 8405 1 10 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.989 0.476 19108 8406 1 10 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.621 0.846 19108 8407 1 10 . 1 1 56 56 HIS H H 56 7.709 7.709 7.120 0.589 19108 8408 1 10 . 1 1 57 57 ASN N N 57 116.522 116.522 119.565 -3.043 19108 8409 1 10 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.461 -0.046 19108 8410 1 10 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.474 0.710 19108 8411 1 10 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.381 0.281 19108 8412 1 10 . 1 1 57 57 ASN H H 57 8.684 8.684 7.847 0.837 19108 8413 1 10 . 1 1 58 58 GLN N N 58 122.850 122.850 118.018 4.832 19108 8414 1 10 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.082 0.307 19108 8415 1 10 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.041 -2.188 19108 8416 1 10 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.059 1.323 19108 8417 1 10 . 1 1 58 58 GLN H H 58 9.099 9.099 7.964 1.135 19108 8418 1 10 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.178 0.122 19108 8419 1 10 . 1 1 59 59 ALA CA C 59 52.504 52.504 54.193 -1.688 19108 8420 1 10 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.028 0.393 19108 8421 1 10 . 1 1 60 60 LYS N N 60 119.998 119.998 116.847 3.151 19108 8422 1 10 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.386 -0.610 19108 8423 1 10 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.777 0.524 19108 8424 1 10 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.885 -1.069 19108 8425 1 10 . 1 1 60 60 LYS H H 60 8.344 8.344 7.857 0.487 19108 8426 1 10 . 1 1 61 61 ASN N N 61 119.688 119.688 118.476 1.212 19108 8427 1 10 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.424 0.031 19108 8428 1 10 . 1 1 61 61 ASN CA C 61 52.904 52.904 54.908 -2.004 19108 8429 1 10 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.663 1.874 19108 8430 1 10 . 1 1 61 61 ASN H H 61 8.643 8.643 8.783 -0.140 19108 8431 1 10 . 1 1 62 62 LEU N N 62 124.761 124.761 115.364 9.397 19108 8432 1 10 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.426 -0.492 19108 8433 1 10 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.479 0.766 19108 8434 1 10 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.575 -0.632 19108 8435 1 10 . 1 1 62 62 LEU H H 62 8.873 8.873 7.878 0.995 19108 8436 1 10 . 1 1 63 63 LEU N N 63 120.312 120.312 119.043 1.269 19108 8437 1 10 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.403 -0.204 19108 8438 1 10 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.878 0.199 19108 8439 1 10 . 1 1 63 63 LEU CB C 63 41.257 41.257 42.281 -1.024 19108 8440 1 10 . 1 1 63 63 LEU H H 63 8.145 8.145 8.401 -0.256 19108 8441 1 10 . 1 1 64 64 CYS N N 64 113.898 113.898 117.256 -3.358 19108 8442 1 10 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.641 -0.470 19108 8443 1 10 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.598 -1.814 19108 8444 1 10 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.267 -0.549 19108 8445 1 10 . 1 1 64 64 CYS H H 64 7.376 7.376 8.261 -0.885 19108 8446 1 10 . 1 1 65 65 GLY N N 65 108.894 108.894 108.436 0.458 19108 8447 1 10 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.406 0.577 19108 8448 1 10 . 1 1 65 65 GLY H H 65 7.789 7.789 7.747 0.042 19108 8449 1 10 . 1 1 66 66 PHE N N 66 118.711 118.711 119.360 -0.649 19108 8450 1 10 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.579 -0.662 19108 8451 1 10 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.435 -1.495 19108 8452 1 10 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.789 0.479 19108 8453 1 10 . 1 1 66 66 PHE H H 66 7.699 7.699 7.334 0.365 19108 8454 1 10 . 1 1 67 67 TYR N N 67 124.623 124.623 119.680 4.943 19108 8455 1 10 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.541 -0.241 19108 8456 1 10 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.787 1.977 19108 8457 1 10 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.082 0.071 19108 8458 1 10 . 1 1 67 67 TYR H H 67 8.568 8.568 6.867 1.701 19108 8459 1 10 . 1 1 69 69 ARG N N 69 121.427 121.427 122.215 -0.788 19108 8460 1 10 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.745 2.312 19108 8461 1 10 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.875 -1.579 19108 8462 1 10 . 1 1 69 69 ARG H H 69 8.313 8.313 8.211 0.102 19108 8463 1 10 . 1 1 70 70 HIS N N 70 128.351 128.351 119.351 9.000 19108 8464 1 10 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.711 0.071 19108 8465 1 10 . 1 1 70 70 HIS CA C 70 56.716 56.716 54.512 2.204 19108 8466 1 10 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.879 0.897 19108 8467 1 10 . 1 1 70 70 HIS H H 70 9.182 9.182 7.856 1.326 19108 8468 1 10 . 1 1 71 71 ALA N N 71 125.649 125.649 128.688 -3.039 19108 8469 1 10 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.800 -0.443 19108 8470 1 10 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.427 0.355 19108 8471 1 10 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.716 -0.706 19108 8472 1 10 . 1 1 71 71 ALA H H 71 8.968 8.968 8.903 0.065 19108 8473 1 10 . 1 1 72 72 GLU N N 72 119.941 119.941 117.973 1.968 19108 8474 1 10 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.688 -0.711 19108 8475 1 10 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.303 1.653 19108 8476 1 10 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.006 -1.000 19108 8477 1 10 . 1 1 72 72 GLU H H 72 12.692 12.692 8.566 4.126 19108 8478 1 10 . 1 1 73 73 LEU N N 73 114.882 114.882 120.435 -5.553 19108 8479 1 10 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.213 -0.628 19108 8480 1 10 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.894 -1.233 19108 8481 1 10 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.475 -2.230 19108 8482 1 10 . 1 1 73 73 LEU H H 73 6.637 6.637 8.159 -1.522 19108 8483 1 10 . 1 1 74 74 ARG N N 74 117.799 117.799 118.009 -0.210 19108 8484 1 10 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.077 -0.035 19108 8485 1 10 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.752 -0.577 19108 8486 1 10 . 1 1 74 74 ARG H H 74 7.556 7.556 7.737 -0.181 19108 8487 1 10 . 1 1 75 75 PHE N N 75 119.783 119.783 119.502 0.281 19108 8488 1 10 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.235 -0.674 19108 8489 1 10 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.398 2.276 19108 8490 1 10 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.973 -0.935 19108 8491 1 10 . 1 1 75 75 PHE H H 75 8.233 8.233 7.662 0.571 19108 8492 1 10 . 1 1 76 76 LEU N N 76 119.526 119.526 120.565 -1.039 19108 8493 1 10 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.407 0.151 19108 8494 1 10 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.855 1.185 19108 8495 1 10 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.843 -2.827 19108 8496 1 10 . 1 1 76 76 LEU H H 76 7.629 7.629 7.663 -0.034 19108 8497 1 10 . 1 1 77 77 ASP N N 77 118.215 118.215 120.212 -1.997 19108 8498 1 10 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.372 -0.214 19108 8499 1 10 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.409 -0.009 19108 8500 1 10 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.230 -0.862 19108 8501 1 10 . 1 1 77 77 ASP H H 77 8.190 8.190 8.436 -0.246 19108 8502 1 10 . 1 1 78 78 LEU N N 78 117.496 117.496 114.189 3.307 19108 8503 1 10 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.545 -0.255 19108 8504 1 10 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.080 -0.095 19108 8505 1 10 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.885 0.516 19108 8506 1 10 . 1 1 78 78 LEU H H 78 7.252 7.252 7.183 0.069 19108 8507 1 10 . 1 1 79 79 VAL N N 79 120.915 120.915 122.515 -1.600 19108 8508 1 10 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.538 -0.315 19108 8509 1 10 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.016 0.512 19108 8510 1 10 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.533 -0.413 19108 8511 1 10 . 1 1 79 79 VAL H H 79 7.179 7.179 6.812 0.367 19108 8512 1 10 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.296 -0.321 19108 8513 1 10 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.306 1.481 19108 8514 1 10 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.976 -1.168 19108 8515 1 10 . 1 1 81 81 SER N N 81 112.727 112.727 112.707 0.020 19108 8516 1 10 . 1 1 81 81 SER HA H 81 4.314 4.314 4.255 0.059 19108 8517 1 10 . 1 1 81 81 SER CA C 81 60.618 60.618 60.762 -0.144 19108 8518 1 10 . 1 1 81 81 SER CB C 81 63.450 63.450 63.175 0.275 19108 8519 1 10 . 1 1 81 81 SER H H 81 7.828 7.828 7.471 0.357 19108 8520 1 10 . 1 1 82 82 LEU N N 82 120.918 120.918 119.225 1.693 19108 8521 1 10 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.382 -0.508 19108 8522 1 10 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.745 -0.253 19108 8523 1 10 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.300 -2.090 19108 8524 1 10 . 1 1 82 82 LEU H H 82 7.912 7.912 7.639 0.273 19108 8525 1 10 . 1 1 83 83 GLN N N 83 111.397 111.397 115.865 -4.468 19108 8526 1 10 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.010 -0.202 19108 8527 1 10 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.853 0.313 19108 8528 1 10 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.248 -0.581 19108 8529 1 10 . 1 1 83 83 GLN H H 83 7.458 7.458 7.794 -0.336 19108 8530 1 10 . 1 1 84 84 LEU N N 84 118.520 118.520 119.797 -1.277 19108 8531 1 10 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.038 -0.319 19108 8532 1 10 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.770 -2.028 19108 8533 1 10 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.632 -3.387 19108 8534 1 10 . 1 1 84 84 LEU H H 84 8.736 8.736 8.155 0.581 19108 8535 1 10 . 1 1 85 85 ASP N N 85 126.187 126.187 121.207 4.980 19108 8536 1 10 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.864 0.019 19108 8537 1 10 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.363 -0.017 19108 8538 1 10 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.561 1.387 19108 8539 1 10 . 1 1 85 85 ASP H H 85 8.415 8.415 8.118 0.297 19108 8540 1 10 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.464 0.464 19108 8541 1 10 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.598 0.040 19108 8542 1 10 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.957 -0.671 19108 8543 1 10 . 1 1 87 87 ALA N N 87 121.030 121.030 121.738 -0.708 19108 8544 1 10 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.046 0.372 19108 8545 1 10 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.865 -1.693 19108 8546 1 10 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.663 0.685 19108 8547 1 10 . 1 1 87 87 ALA H H 87 8.504 8.504 7.719 0.785 19108 8548 1 10 . 1 1 88 88 GLN N N 88 119.601 119.601 118.330 1.271 19108 8549 1 10 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.336 0.186 19108 8550 1 10 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.938 -1.504 19108 8551 1 10 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.359 -0.310 19108 8552 1 10 . 1 1 88 88 GLN H H 88 8.125 8.125 8.334 -0.209 19108 8553 1 10 . 1 1 89 89 ILE N N 89 118.195 118.195 120.191 -1.996 19108 8554 1 10 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.576 0.393 19108 8555 1 10 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.026 0.515 19108 8556 1 10 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.286 0.966 19108 8557 1 10 . 1 1 89 89 ILE H H 89 8.099 8.099 8.178 -0.079 19108 8558 1 10 . 1 1 90 90 TYR N N 90 122.421 122.421 123.115 -0.694 19108 8559 1 10 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.188 0.173 19108 8560 1 10 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.776 -0.737 19108 8561 1 10 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.233 -0.407 19108 8562 1 10 . 1 1 90 90 TYR H H 90 8.892 8.892 8.453 0.439 19108 8563 1 10 . 1 1 91 91 ARG N N 91 121.043 121.043 121.029 0.014 19108 8564 1 10 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.910 0.333 19108 8565 1 10 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.724 -1.189 19108 8566 1 10 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.553 -0.421 19108 8567 1 10 . 1 1 91 91 ARG H H 91 9.327 9.327 8.596 0.731 19108 8568 1 10 . 1 1 92 92 VAL N N 92 132.287 132.287 129.515 2.772 19108 8569 1 10 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.617 0.307 19108 8570 1 10 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.060 -1.155 19108 8571 1 10 . 1 1 92 92 VAL CB C 92 32.853 32.853 31.928 0.925 19108 8572 1 10 . 1 1 92 92 VAL H H 92 9.668 9.668 9.005 0.663 19108 8573 1 10 . 1 1 93 93 THR N N 93 124.468 124.468 124.927 -0.459 19108 8574 1 10 . 1 1 93 93 THR HA H 93 5.264 5.264 4.568 0.696 19108 8575 1 10 . 1 1 93 93 THR CA C 93 61.616 61.616 63.344 -1.728 19108 8576 1 10 . 1 1 93 93 THR CB C 93 70.082 70.082 69.891 0.191 19108 8577 1 10 . 1 1 93 93 THR H H 93 9.381 9.381 8.817 0.564 19108 8578 1 10 . 1 1 94 94 TRP N N 94 124.491 124.491 128.500 -4.009 19108 8579 1 10 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.006 0.660 19108 8580 1 10 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.706 -2.502 19108 8581 1 10 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.526 3.142 19108 8582 1 10 . 1 1 94 94 TRP H H 94 9.071 9.071 9.109 -0.038 19108 8583 1 10 . 1 1 95 95 PHE N N 95 122.179 122.179 122.975 -0.796 19108 8584 1 10 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.962 0.708 19108 8585 1 10 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.282 -0.508 19108 8586 1 10 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.040 -0.591 19108 8587 1 10 . 1 1 95 95 PHE H H 95 9.578 9.578 9.282 0.296 19108 8588 1 10 . 1 1 96 96 ILE N N 96 125.072 125.072 121.784 3.288 19108 8589 1 10 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.357 0.616 19108 8590 1 10 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.636 -1.209 19108 8591 1 10 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.986 4.087 19108 8592 1 10 . 1 1 96 96 ILE H H 96 9.816 9.816 9.276 0.540 19108 8593 1 10 . 1 1 97 97 SER N N 97 124.020 124.020 117.813 6.207 19108 8594 1 10 . 1 1 97 97 SER HA H 97 3.623 3.623 4.919 -1.296 19108 8595 1 10 . 1 1 97 97 SER CA C 97 61.750 61.750 59.696 2.054 19108 8596 1 10 . 1 1 97 97 SER CB C 97 63.711 63.711 64.162 -0.451 19108 8597 1 10 . 1 1 97 97 SER H H 97 9.156 9.156 8.532 0.624 19108 8598 1 10 . 1 1 98 98 TRP N N 98 114.829 114.829 121.658 -6.829 19108 8599 1 10 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.254 0.085 19108 8600 1 10 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.554 -1.883 19108 8601 1 10 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.250 2.501 19108 8602 1 10 . 1 1 98 98 TRP H H 98 6.619 6.619 7.965 -1.346 19108 8603 1 10 . 1 1 99 99 SER N N 99 115.444 115.444 116.794 -1.350 19108 8604 1 10 . 1 1 99 99 SER CA C 99 58.045 58.045 57.146 0.899 19108 8605 1 10 . 1 1 99 99 SER CB C 99 61.927 61.927 62.847 -0.920 19108 8606 1 10 . 1 1 99 99 SER H H 99 8.590 8.590 8.394 0.196 19108 8607 1 10 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.494 -1.569 19108 8608 1 10 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.542 2.254 19108 8609 1 10 . 1 1 101 101 CYS N N 101 121.768 121.768 115.909 5.859 19108 8610 1 10 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.744 0.915 19108 8611 1 10 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.064 1.125 19108 8612 1 10 . 1 1 101 101 CYS H H 101 8.686 8.686 8.565 0.121 19108 8613 1 10 . 1 1 102 102 PHE N N 102 115.031 115.031 118.573 -3.542 19108 8614 1 10 . 1 1 102 102 PHE CA C 102 58.960 58.960 54.892 4.068 19108 8615 1 10 . 1 1 102 102 PHE CB C 102 40.157 40.157 41.860 -1.703 19108 8616 1 10 . 1 1 102 102 PHE H H 102 9.318 9.318 7.607 1.711 19108 8617 1 10 . 1 1 103 103 SER N N 103 119.552 119.552 122.107 -2.555 19108 8618 1 10 . 1 1 103 103 SER HA H 103 3.713 3.713 4.216 -0.503 19108 8619 1 10 . 1 1 103 103 SER CA C 103 63.368 63.368 61.322 2.046 19108 8620 1 10 . 1 1 103 103 SER CB C 103 60.539 60.539 62.783 -2.244 19108 8621 1 10 . 1 1 103 103 SER H H 103 10.858 10.858 8.911 1.947 19108 8622 1 10 . 1 1 104 104 TRP N N 104 117.909 117.909 122.088 -4.179 19108 8623 1 10 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.771 -0.995 19108 8624 1 10 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.751 0.463 19108 8625 1 10 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.610 -1.724 19108 8626 1 10 . 1 1 104 104 TRP H H 104 7.880 7.880 8.570 -0.690 19108 8627 1 10 . 1 1 105 105 GLY N N 105 106.359 106.359 108.846 -2.487 19108 8628 1 10 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.972 -0.891 19108 8629 1 10 . 1 1 105 105 GLY H H 105 7.468 7.468 8.671 -1.203 19108 8630 1 10 . 1 1 106 106 CYS N N 106 120.359 120.359 121.612 -1.253 19108 8631 1 10 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.623 -0.764 19108 8632 1 10 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.578 4.524 19108 8633 1 10 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.575 2.143 19108 8634 1 10 . 1 1 106 106 CYS H H 106 7.366 7.366 8.416 -1.050 19108 8635 1 10 . 1 1 107 107 ALA N N 107 119.725 119.725 122.909 -3.184 19108 8636 1 10 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.103 -0.238 19108 8637 1 10 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.148 1.786 19108 8638 1 10 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.017 0.426 19108 8639 1 10 . 1 1 107 107 ALA H H 107 8.719 8.719 8.466 0.253 19108 8640 1 10 . 1 1 108 108 GLY N N 108 103.829 103.829 107.318 -3.489 19108 8641 1 10 . 1 1 108 108 GLY CA C 108 46.894 46.894 46.950 -0.056 19108 8642 1 10 . 1 1 108 108 GLY H H 108 8.555 8.555 7.846 0.709 19108 8643 1 10 . 1 1 109 109 GLU N N 109 123.162 123.162 122.541 0.621 19108 8644 1 10 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.076 0.190 19108 8645 1 10 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.076 0.216 19108 8646 1 10 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.254 1.128 19108 8647 1 10 . 1 1 109 109 GLU H H 109 8.023 8.023 7.867 0.156 19108 8648 1 10 . 1 1 110 110 VAL N N 110 121.866 121.866 120.977 0.889 19108 8649 1 10 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.672 0.027 19108 8650 1 10 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.243 0.800 19108 8651 1 10 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.563 -0.557 19108 8652 1 10 . 1 1 110 110 VAL H H 110 8.942 8.942 7.680 1.262 19108 8653 1 10 . 1 1 111 111 ARG N N 111 120.587 120.587 120.643 -0.056 19108 8654 1 10 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.808 -0.022 19108 8655 1 10 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.975 0.106 19108 8656 1 10 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.975 -0.800 19108 8657 1 10 . 1 1 111 111 ARG H H 111 8.653 8.653 8.056 0.597 19108 8658 1 10 . 1 1 112 112 ALA N N 112 120.687 120.687 121.239 -0.552 19108 8659 1 10 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.046 0.088 19108 8660 1 10 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.048 0.370 19108 8661 1 10 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.107 -0.116 19108 8662 1 10 . 1 1 112 112 ALA H H 112 7.875 7.875 7.844 0.031 19108 8663 1 10 . 1 1 113 113 PHE N N 113 118.950 118.950 119.593 -0.643 19108 8664 1 10 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.132 0.205 19108 8665 1 10 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.691 -0.315 19108 8666 1 10 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.106 0.281 19108 8667 1 10 . 1 1 113 113 PHE H H 113 8.139 8.139 7.744 0.395 19108 8668 1 10 . 1 1 114 114 LEU N N 114 120.595 120.595 120.117 0.478 19108 8669 1 10 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.672 0.128 19108 8670 1 10 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.207 -1.074 19108 8671 1 10 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.913 -1.004 19108 8672 1 10 . 1 1 114 114 LEU H H 114 8.639 8.639 8.433 0.206 19108 8673 1 10 . 1 1 115 115 GLN N N 115 117.666 117.666 115.181 2.485 19108 8674 1 10 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.949 0.074 19108 8675 1 10 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.368 0.018 19108 8676 1 10 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.682 -0.144 19108 8677 1 10 . 1 1 115 115 GLN H H 115 8.167 8.167 8.301 -0.134 19108 8678 1 10 . 1 1 116 116 GLU N N 116 115.380 115.380 117.589 -2.209 19108 8679 1 10 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.294 0.028 19108 8680 1 10 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.455 0.607 19108 8681 1 10 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.826 -0.111 19108 8682 1 10 . 1 1 116 116 GLU H H 116 7.448 7.448 7.499 -0.051 19108 8683 1 10 . 1 1 117 117 ASN N N 117 119.831 119.831 117.653 2.178 19108 8684 1 10 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.975 0.090 19108 8685 1 10 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.410 -0.225 19108 8686 1 10 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.080 -0.834 19108 8687 1 10 . 1 1 117 117 ASN H H 117 7.632 7.632 8.140 -0.508 19108 8688 1 10 . 1 1 118 118 THR N N 118 111.041 111.041 116.535 -5.494 19108 8689 1 10 . 1 1 118 118 THR HA H 118 4.317 4.317 3.922 0.395 19108 8690 1 10 . 1 1 118 118 THR CA C 118 64.081 64.081 64.812 -0.731 19108 8691 1 10 . 1 1 118 118 THR CB C 118 68.767 68.767 68.738 0.029 19108 8692 1 10 . 1 1 118 118 THR H H 118 8.054 8.054 7.749 0.305 19108 8693 1 10 . 1 1 119 119 HIS N N 119 120.403 120.403 115.874 4.529 19108 8694 1 10 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.508 -0.219 19108 8695 1 10 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.591 1.010 19108 8696 1 10 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.497 1.823 19108 8697 1 10 . 1 1 119 119 HIS H H 119 9.248 9.248 8.208 1.040 19108 8698 1 10 . 1 1 120 120 VAL N N 120 120.001 120.001 118.053 1.948 19108 8699 1 10 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.641 -0.115 19108 8700 1 10 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.373 1.517 19108 8701 1 10 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.859 -1.864 19108 8702 1 10 . 1 1 120 120 VAL H H 120 7.379 7.379 7.361 0.018 19108 8703 1 10 . 1 1 121 121 ARG N N 121 125.312 125.312 125.155 0.157 19108 8704 1 10 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.425 0.385 19108 8705 1 10 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.180 -2.113 19108 8706 1 10 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.765 -1.185 19108 8707 1 10 . 1 1 121 121 ARG H H 121 8.775 8.775 8.367 0.408 19108 8708 1 10 . 1 1 122 122 LEU N N 122 125.483 125.483 125.821 -0.338 19108 8709 1 10 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.866 0.294 19108 8710 1 10 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.115 0.186 19108 8711 1 10 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.860 2.812 19108 8712 1 10 . 1 1 122 122 LEU H H 122 9.345 9.345 8.690 0.655 19108 8713 1 10 . 1 1 123 123 ARG N N 123 127.748 127.748 126.157 1.591 19108 8714 1 10 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.384 0.352 19108 8715 1 10 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.338 -0.171 19108 8716 1 10 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.593 0.219 19108 8717 1 10 . 1 1 123 123 ARG H H 123 9.053 9.053 8.147 0.906 19108 8718 1 10 . 1 1 124 124 ILE N N 124 123.665 123.665 123.640 0.025 19108 8719 1 10 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.170 0.272 19108 8720 1 10 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.012 0.747 19108 8721 1 10 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.350 2.543 19108 8722 1 10 . 1 1 124 124 ILE H H 124 9.019 9.019 8.311 0.708 19108 8723 1 10 . 1 1 125 125 PHE N N 125 126.320 126.320 126.659 -0.339 19108 8724 1 10 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.382 -0.217 19108 8725 1 10 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.462 0.452 19108 8726 1 10 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.680 0.139 19108 8727 1 10 . 1 1 125 125 PHE H H 125 9.359 9.359 8.141 1.218 19108 8728 1 10 . 1 1 126 126 ALA N N 126 124.526 124.526 127.690 -3.164 19108 8729 1 10 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.085 0.731 19108 8730 1 10 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.256 -1.386 19108 8731 1 10 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.625 0.709 19108 8732 1 10 . 1 1 126 126 ALA H H 126 9.091 9.091 8.469 0.622 19108 8733 1 10 . 1 1 127 127 ALA N N 127 126.272 126.272 128.160 -1.888 19108 8734 1 10 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.376 0.375 19108 8735 1 10 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.727 1.741 19108 8736 1 10 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.706 -0.102 19108 8737 1 10 . 1 1 127 127 ALA H H 127 9.049 9.049 8.972 0.077 19108 8738 1 10 . 1 1 128 128 ARG N N 128 108.570 108.570 117.545 -8.975 19108 8739 1 10 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.767 -0.353 19108 8740 1 10 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.343 3.862 19108 8741 1 10 . 1 1 128 128 ARG H H 128 6.741 6.741 7.470 -0.729 19108 8742 1 10 . 1 1 129 129 ILE N N 129 121.285 121.285 122.527 -1.242 19108 8743 1 10 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.296 -0.005 19108 8744 1 10 . 1 1 129 129 ILE CA C 129 60.867 60.867 61.104 -0.237 19108 8745 1 10 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.881 -0.052 19108 8746 1 10 . 1 1 129 129 ILE H H 129 8.340 8.340 8.466 -0.126 19108 8747 1 10 . 1 1 130 130 TYR N N 130 130.143 130.143 128.270 1.873 19108 8748 1 10 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.606 0.729 19108 8749 1 10 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.224 -0.298 19108 8750 1 10 . 1 1 130 130 TYR CB C 130 38.163 38.163 39.308 -1.145 19108 8751 1 10 . 1 1 130 130 TYR H H 130 8.870 8.870 8.477 0.393 19108 8752 1 10 . 1 1 131 131 ASP N N 131 123.662 123.662 121.514 2.148 19108 8753 1 10 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.959 -1.292 19108 8754 1 10 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.762 0.951 19108 8755 1 10 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.876 -3.975 19108 8756 1 10 . 1 1 131 131 ASP H H 131 8.123 8.123 7.612 0.511 19108 8757 1 10 . 1 1 132 132 TYR N N 132 116.852 116.852 118.986 -2.134 19108 8758 1 10 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.471 -0.556 19108 8759 1 10 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.436 1.032 19108 8760 1 10 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.846 0.191 19108 8761 1 10 . 1 1 132 132 TYR H H 132 6.448 6.448 8.459 -2.011 19108 8762 1 10 . 1 1 133 133 ASP N N 133 116.930 116.930 119.757 -2.827 19108 8763 1 10 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.436 -1.271 19108 8764 1 10 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.796 1.986 19108 8765 1 10 . 1 1 133 133 ASP H H 133 7.005 7.005 8.144 -1.139 19108 8766 1 10 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.383 -0.280 19108 8767 1 10 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.289 -0.588 19108 8768 1 10 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.807 0.283 19108 8769 1 10 . 1 1 135 135 LEU N N 135 120.252 120.252 117.004 3.248 19108 8770 1 10 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.954 0.744 19108 8771 1 10 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.104 -1.723 19108 8772 1 10 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.839 -1.095 19108 8773 1 10 . 1 1 135 135 LEU H H 135 8.456 8.456 7.771 0.684 19108 8774 1 10 . 1 1 136 136 TYR N N 136 117.432 117.432 118.622 -1.190 19108 8775 1 10 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.937 0.124 19108 8776 1 10 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.481 0.577 19108 8777 1 10 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.188 0.392 19108 8778 1 10 . 1 1 136 136 TYR H H 136 8.028 8.028 7.756 0.272 19108 8779 1 10 . 1 1 137 137 LYS N N 137 122.000 122.000 119.749 2.251 19108 8780 1 10 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.854 1.445 19108 8781 1 10 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.646 -0.848 19108 8782 1 10 . 1 1 137 137 LYS H H 137 7.503 7.503 7.043 0.460 19108 8783 1 10 . 1 1 138 138 GLU N N 138 121.833 121.833 119.368 2.465 19108 8784 1 10 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.996 0.845 19108 8785 1 10 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.166 -1.698 19108 8786 1 10 . 1 1 138 138 GLU H H 138 8.752 8.752 8.312 0.440 19108 8787 1 10 . 1 1 139 139 ALA N N 139 119.592 119.592 122.505 -2.913 19108 8788 1 10 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.187 -0.341 19108 8789 1 10 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.973 0.167 19108 8790 1 10 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.464 1.791 19108 8791 1 10 . 1 1 139 139 ALA H H 139 7.682 7.682 7.849 -0.167 19108 8792 1 10 . 1 1 140 140 LEU N N 140 116.268 116.268 119.133 -2.865 19108 8793 1 10 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.453 0.740 19108 8794 1 10 . 1 1 140 140 LEU CB C 140 41.095 41.095 42.041 -0.946 19108 8795 1 10 . 1 1 140 140 LEU H H 140 7.175 7.175 7.628 -0.453 19108 8796 1 10 . 1 1 141 141 GLN N N 141 117.550 117.550 119.403 -1.853 19108 8797 1 10 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.106 -0.387 19108 8798 1 10 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.671 0.380 19108 8799 1 10 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.663 -1.069 19108 8800 1 10 . 1 1 141 141 GLN H H 141 8.322 8.322 7.628 0.694 19108 8801 1 10 . 1 1 142 142 MET N N 142 118.520 118.520 118.517 0.003 19108 8802 1 10 . 1 1 142 142 MET HA H 142 4.135 4.135 4.202 -0.067 19108 8803 1 10 . 1 1 142 142 MET CA C 142 59.051 59.051 58.317 0.734 19108 8804 1 10 . 1 1 142 142 MET CB C 142 33.170 33.170 32.265 0.905 19108 8805 1 10 . 1 1 142 142 MET H H 142 8.241 8.241 7.711 0.530 19108 8806 1 10 . 1 1 143 143 LEU N N 143 118.659 118.659 119.842 -1.183 19108 8807 1 10 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.109 0.183 19108 8808 1 10 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.359 0.756 19108 8809 1 10 . 1 1 143 143 LEU CB C 143 41.377 41.377 42.009 -0.632 19108 8810 1 10 . 1 1 143 143 LEU H H 143 7.932 7.932 8.514 -0.582 19108 8811 1 10 . 1 1 144 144 ARG N N 144 121.294 121.294 120.621 0.673 19108 8812 1 10 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.924 0.502 19108 8813 1 10 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.141 -0.152 19108 8814 1 10 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.418 -1.310 19108 8815 1 10 . 1 1 144 144 ARG H H 144 7.968 7.968 7.596 0.372 19108 8816 1 10 . 1 1 145 145 ASP N N 145 122.553 122.553 118.373 4.180 19108 8817 1 10 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.440 -0.011 19108 8818 1 10 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.410 0.168 19108 8819 1 10 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.505 -0.915 19108 8820 1 10 . 1 1 145 145 ASP H H 145 8.868 8.868 7.892 0.976 19108 8821 1 10 . 1 1 146 146 ALA N N 146 120.102 120.102 120.086 0.016 19108 8822 1 10 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.197 0.221 19108 8823 1 10 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.710 -0.676 19108 8824 1 10 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.433 -0.138 19108 8825 1 10 . 1 1 146 146 ALA H H 146 7.737 7.737 7.923 -0.186 19108 8826 1 10 . 1 1 147 147 GLY N N 147 105.039 105.039 105.825 -0.786 19108 8827 1 10 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.674 0.190 19108 8828 1 10 . 1 1 147 147 GLY H H 147 7.966 7.966 7.761 0.205 19108 8829 1 10 . 1 1 148 148 ALA N N 148 124.181 124.181 124.982 -0.801 19108 8830 1 10 . 1 1 148 148 ALA HA H 148 4.689 4.689 3.943 0.746 19108 8831 1 10 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.949 -1.490 19108 8832 1 10 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.433 -0.955 19108 8833 1 10 . 1 1 148 148 ALA H H 148 8.051 8.051 7.968 0.083 19108 8834 1 10 . 1 1 149 149 GLN N N 149 122.185 122.185 120.418 1.767 19108 8835 1 10 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.520 -0.081 19108 8836 1 10 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.209 -0.254 19108 8837 1 10 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.949 -1.528 19108 8838 1 10 . 1 1 149 149 GLN H H 149 7.953 7.953 7.857 0.096 19108 8839 1 10 . 1 1 150 150 VAL N N 150 127.399 127.399 123.110 4.289 19108 8840 1 10 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.716 0.036 19108 8841 1 10 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.302 1.137 19108 8842 1 10 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.325 0.854 19108 8843 1 10 . 1 1 150 150 VAL H H 150 8.658 8.658 8.351 0.307 19108 8844 1 10 . 1 1 151 151 SER N N 151 120.616 120.616 122.224 -1.608 19108 8845 1 10 . 1 1 151 151 SER HA H 151 5.179 5.179 4.831 0.348 19108 8846 1 10 . 1 1 151 151 SER CA C 151 56.981 56.981 57.542 -0.561 19108 8847 1 10 . 1 1 151 151 SER CB C 151 66.538 66.538 66.312 0.226 19108 8848 1 10 . 1 1 151 151 SER H H 151 8.737 8.737 8.561 0.176 19108 8849 1 10 . 1 1 152 152 ILE N N 152 123.180 123.180 123.268 -0.088 19108 8850 1 10 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.567 0.580 19108 8851 1 10 . 1 1 152 152 ILE CA C 152 56.518 56.518 59.960 -3.442 19108 8852 1 10 . 1 1 152 152 ILE CB C 152 37.080 37.080 40.428 -3.348 19108 8853 1 10 . 1 1 152 152 ILE H H 152 8.672 8.672 8.577 0.095 19108 8854 1 10 . 1 1 153 153 MET N N 153 123.477 123.477 128.573 -5.096 19108 8855 1 10 . 1 1 153 153 MET HA H 153 3.886 3.886 4.310 -0.424 19108 8856 1 10 . 1 1 153 153 MET CA C 153 59.053 59.053 56.460 2.593 19108 8857 1 10 . 1 1 153 153 MET CB C 153 34.793 34.793 32.354 2.439 19108 8858 1 10 . 1 1 153 153 MET H H 153 8.314 8.314 7.998 0.316 19108 8859 1 10 . 1 1 154 154 THR N N 154 117.621 117.621 115.352 2.269 19108 8860 1 10 . 1 1 154 154 THR HA H 154 4.951 4.951 4.727 0.224 19108 8861 1 10 . 1 1 154 154 THR CA C 154 60.436 60.436 59.654 0.782 19108 8862 1 10 . 1 1 154 154 THR CB C 154 72.370 72.370 71.379 0.991 19108 8863 1 10 . 1 1 154 154 THR H H 154 9.630 9.630 7.519 2.111 19108 8864 1 10 . 1 1 155 155 TYR N N 155 121.751 121.751 122.881 -1.130 19108 8865 1 10 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.069 0.030 19108 8866 1 10 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.281 2.158 19108 8867 1 10 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.740 1.546 19108 8868 1 10 . 1 1 155 155 TYR H H 155 9.769 9.769 9.263 0.506 19108 8869 1 10 . 1 1 156 156 ASP N N 156 115.555 115.555 116.471 -0.916 19108 8870 1 10 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.635 0.473 19108 8871 1 10 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.128 0.132 19108 8872 1 10 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.147 0.471 19108 8873 1 10 . 1 1 156 156 ASP H H 156 8.230 8.230 8.719 -0.489 19108 8874 1 10 . 1 1 157 157 GLU N N 157 117.678 117.678 119.026 -1.348 19108 8875 1 10 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.021 -0.151 19108 8876 1 10 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.185 1.322 19108 8877 1 10 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.386 1.662 19108 8878 1 10 . 1 1 157 157 GLU H H 157 7.470 7.470 7.382 0.088 19108 8879 1 10 . 1 1 158 158 PHE N N 158 119.869 119.869 120.275 -0.406 19108 8880 1 10 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.852 -0.023 19108 8881 1 10 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.156 1.620 19108 8882 1 10 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.307 1.600 19108 8883 1 10 . 1 1 158 158 PHE H H 158 8.077 8.077 8.473 -0.396 19108 8884 1 10 . 1 1 159 159 LYS N N 159 118.859 118.859 119.412 -0.553 19108 8885 1 10 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.723 0.194 19108 8886 1 10 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.001 -0.770 19108 8887 1 10 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.322 -0.359 19108 8888 1 10 . 1 1 159 159 LYS H H 159 8.273 8.273 8.017 0.256 19108 8889 1 10 . 1 1 160 160 HIS N N 160 115.889 115.889 118.914 -3.025 19108 8890 1 10 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.402 -0.243 19108 8891 1 10 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.792 1.189 19108 8892 1 10 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.458 -1.528 19108 8893 1 10 . 1 1 160 160 HIS H H 160 7.695 7.695 7.637 0.058 19108 8894 1 10 . 1 1 161 161 CYS N N 161 118.188 118.188 118.202 -0.014 19108 8895 1 10 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.002 0.787 19108 8896 1 10 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.809 0.984 19108 8897 1 10 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.338 1.548 19108 8898 1 10 . 1 1 161 161 CYS H H 161 7.885 7.885 7.818 0.067 19108 8899 1 10 . 1 1 162 162 TRP N N 162 122.741 122.741 122.956 -0.215 19108 8900 1 10 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.413 0.351 19108 8901 1 10 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.712 0.005 19108 8902 1 10 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.136 -0.543 19108 8903 1 10 . 1 1 162 162 TRP H H 162 8.040 8.040 7.822 0.217 19108 8904 1 10 . 1 1 163 163 ASP N N 163 113.796 113.796 117.715 -3.919 19108 8905 1 10 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.858 0.268 19108 8906 1 10 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.694 1.235 19108 8907 1 10 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.252 1.283 19108 8908 1 10 . 1 1 163 163 ASP H H 163 8.319 8.319 7.880 0.439 19108 8909 1 10 . 1 1 164 164 THR N N 164 112.008 112.008 114.197 -2.189 19108 8910 1 10 . 1 1 164 164 THR HA H 164 3.803 3.803 3.978 -0.175 19108 8911 1 10 . 1 1 164 164 THR CA C 164 65.164 65.164 64.712 0.452 19108 8912 1 10 . 1 1 164 164 THR CB C 164 70.171 70.171 69.231 0.940 19108 8913 1 10 . 1 1 164 164 THR H H 164 7.494 7.494 7.511 -0.017 19108 8914 1 10 . 1 1 165 165 PHE N N 165 115.079 115.079 116.572 -1.493 19108 8915 1 10 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.533 0.002 19108 8916 1 10 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.423 0.546 19108 8917 1 10 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.123 0.245 19108 8918 1 10 . 1 1 165 165 PHE H H 165 8.235 8.235 7.148 1.087 19108 8919 1 10 . 1 1 166 166 VAL N N 166 118.432 118.432 118.396 0.036 19108 8920 1 10 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.251 -0.226 19108 8921 1 10 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.775 1.226 19108 8922 1 10 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.717 -3.362 19108 8923 1 10 . 1 1 166 166 VAL H H 166 6.838 6.838 6.919 -0.081 19108 8924 1 10 . 1 1 167 167 ASP N N 167 126.263 126.263 125.069 1.194 19108 8925 1 10 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.542 -0.694 19108 8926 1 10 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.841 -2.211 19108 8927 1 10 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.920 -1.840 19108 8928 1 10 . 1 1 167 167 ASP H H 167 8.498 8.498 8.452 0.046 19108 8929 1 10 . 1 1 168 168 HIS N N 168 119.890 119.890 119.085 0.805 19108 8930 1 10 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.183 0.163 19108 8931 1 10 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.826 -2.251 19108 8932 1 10 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.074 2.388 19108 8933 1 10 . 1 1 168 168 HIS H H 168 6.977 6.977 7.619 -0.642 19108 8934 1 10 . 1 1 169 169 GLN N N 169 119.254 119.254 116.620 2.634 19108 8935 1 10 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.968 -0.245 19108 8936 1 10 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.743 0.027 19108 8937 1 10 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.931 -0.410 19108 8938 1 10 . 1 1 169 169 GLN H H 169 9.126 9.126 8.981 0.145 19108 8939 1 10 . 1 1 170 170 GLY N N 170 111.911 111.911 101.721 10.190 19108 8940 1 10 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.301 0.523 19108 8941 1 10 . 1 1 170 170 GLY H H 170 11.556 11.556 5.182 6.374 19108 8942 1 10 . 1 1 171 171 CYS N N 171 123.390 123.390 122.318 1.072 19108 8943 1 10 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.975 -0.259 19108 8944 1 10 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.029 1.756 19108 8945 1 10 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.943 -1.039 19108 8946 1 10 . 1 1 171 171 CYS H H 171 8.044 8.044 7.258 0.786 19108 8947 1 10 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.881 -0.263 19108 8948 1 10 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.281 -0.423 19108 8949 1 10 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.490 0.039 19108 8950 1 10 . 1 1 173 173 PHE N N 173 121.101 121.101 121.098 0.003 19108 8951 1 10 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.230 -0.574 19108 8952 1 10 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.546 -2.005 19108 8953 1 10 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.345 -0.599 19108 8954 1 10 . 1 1 173 173 PHE H H 173 8.842 8.842 8.408 0.434 19108 8955 1 10 . 1 1 174 174 GLN N N 174 129.493 129.493 126.075 3.418 19108 8956 1 10 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.284 0.033 19108 8957 1 10 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.335 -1.540 19108 8958 1 10 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.705 0.392 19108 8959 1 10 . 1 1 174 174 GLN H H 174 7.250 7.250 7.367 -0.117 19108 8960 1 10 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.588 -0.674 19108 8961 1 10 . 1 1 175 175 PRO CA C 175 62.423 62.423 63.111 -0.688 19108 8962 1 10 . 1 1 176 176 TRP N N 176 118.133 118.133 123.097 -4.964 19108 8963 1 10 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.792 -0.159 19108 8964 1 10 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.970 0.192 19108 8965 1 10 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.648 -0.759 19108 8966 1 10 . 1 1 176 176 TRP H H 176 5.591 5.591 7.081 -1.490 19108 8967 1 10 . 1 1 177 177 ASP N N 177 121.814 121.814 121.024 0.790 19108 8968 1 10 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.642 -0.245 19108 8969 1 10 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.227 1.945 19108 8970 1 10 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.136 1.539 19108 8971 1 10 . 1 1 177 177 ASP H H 177 8.848 8.848 8.514 0.334 19108 8972 1 10 . 1 1 178 178 GLY N N 178 111.875 111.875 110.288 1.587 19108 8973 1 10 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.481 0.185 19108 8974 1 10 . 1 1 178 178 GLY H H 178 8.987 8.987 8.159 0.828 19108 8975 1 10 . 1 1 179 179 LEU N N 179 121.470 121.470 123.799 -2.329 19108 8976 1 10 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.291 0.197 19108 8977 1 10 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.890 1.892 19108 8978 1 10 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.010 0.219 19108 8979 1 10 . 1 1 179 179 LEU H H 179 7.148 7.148 7.661 -0.513 19108 8980 1 10 . 1 1 180 180 ASP N N 180 119.476 119.476 118.947 0.529 19108 8981 1 10 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.207 0.285 19108 8982 1 10 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.575 0.364 19108 8983 1 10 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.358 1.355 19108 8984 1 10 . 1 1 180 180 ASP H H 180 8.874 8.874 8.707 0.167 19108 8985 1 10 . 1 1 181 181 GLU N N 181 122.379 122.379 121.085 1.294 19108 8986 1 10 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.917 0.095 19108 8987 1 10 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.224 0.745 19108 8988 1 10 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.484 -0.558 19108 8989 1 10 . 1 1 181 181 GLU H H 181 8.712 8.712 8.276 0.436 19108 8990 1 10 . 1 1 182 182 HIS N N 182 118.572 118.572 117.425 1.147 19108 8991 1 10 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.243 0.511 19108 8992 1 10 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.047 -0.018 19108 8993 1 10 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.176 -0.328 19108 8994 1 10 . 1 1 182 182 HIS H H 182 8.854 8.854 8.054 0.800 19108 8995 1 10 . 1 1 183 183 SER N N 183 116.329 116.329 114.540 1.789 19108 8996 1 10 . 1 1 183 183 SER HA H 183 4.554 4.554 4.122 0.432 19108 8997 1 10 . 1 1 183 183 SER CA C 183 63.604 63.604 62.047 1.557 19108 8998 1 10 . 1 1 183 183 SER CB C 183 65.216 65.216 63.016 2.200 19108 8999 1 10 . 1 1 183 183 SER H H 183 8.665 8.665 8.591 0.074 19108 9000 1 10 . 1 1 184 184 GLN N N 184 122.215 122.215 120.876 1.339 19108 9001 1 10 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.043 0.204 19108 9002 1 10 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.730 0.230 19108 9003 1 10 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.642 0.293 19108 9004 1 10 . 1 1 184 184 GLN H H 184 8.714 8.714 7.890 0.824 19108 9005 1 10 . 1 1 185 185 ALA N N 185 124.432 124.432 123.028 1.404 19108 9006 1 10 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.070 0.214 19108 9007 1 10 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.202 0.267 19108 9008 1 10 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.199 0.175 19108 9009 1 10 . 1 1 185 185 ALA H H 185 8.258 8.258 7.638 0.620 19108 9010 1 10 . 1 1 186 186 LEU N N 186 119.941 119.941 118.784 1.157 19108 9011 1 10 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.841 0.371 19108 9012 1 10 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.210 0.006 19108 9013 1 10 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.689 1.075 19108 9014 1 10 . 1 1 186 186 LEU H H 186 8.953 8.953 7.790 1.163 19108 9015 1 10 . 1 1 187 187 SER N N 187 116.987 116.987 114.323 2.664 19108 9016 1 10 . 1 1 187 187 SER HA H 187 4.039 4.039 4.096 -0.057 19108 9017 1 10 . 1 1 187 187 SER CA C 187 63.302 63.302 62.150 1.152 19108 9018 1 10 . 1 1 187 187 SER CB C 187 62.760 62.760 62.691 0.068 19108 9019 1 10 . 1 1 187 187 SER H H 187 8.935 8.935 8.617 0.318 19108 9020 1 10 . 1 1 188 188 GLY N N 188 110.215 110.215 109.273 0.942 19108 9021 1 10 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.999 0.154 19108 9022 1 10 . 1 1 188 188 GLY H H 188 8.228 8.228 8.689 -0.461 19108 9023 1 10 . 1 1 189 189 ARG N N 189 122.994 122.994 122.570 0.424 19108 9024 1 10 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.203 0.034 19108 9025 1 10 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.942 0.617 19108 9026 1 10 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.010 0.385 19108 9027 1 10 . 1 1 189 189 ARG H H 189 7.838 7.838 7.566 0.272 19108 9028 1 10 . 1 1 190 190 LEU N N 190 119.765 119.765 119.688 0.077 19108 9029 1 10 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.068 0.170 19108 9030 1 10 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.100 0.119 19108 9031 1 10 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.167 0.075 19108 9032 1 10 . 1 1 190 190 LEU H H 190 8.791 8.791 7.807 0.984 19108 9033 1 10 . 1 1 191 191 ARG N N 191 118.427 118.427 118.247 0.180 19108 9034 1 10 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.893 0.150 19108 9035 1 10 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.387 0.395 19108 9036 1 10 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.032 0.159 19108 9037 1 10 . 1 1 191 191 ARG H H 191 8.305 8.305 8.198 0.107 19108 9038 1 10 . 1 1 192 192 ALA N N 192 119.414 119.414 121.977 -2.563 19108 9039 1 10 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.062 0.155 19108 9040 1 10 . 1 1 192 192 ALA CA C 192 54.716 54.716 55.002 -0.286 19108 9041 1 10 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.566 -0.401 19108 9042 1 10 . 1 1 192 192 ALA H H 192 7.414 7.414 7.798 -0.384 19108 9043 1 10 . 1 1 193 193 ILE N N 193 118.949 118.949 118.328 0.621 19108 9044 1 10 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.888 -0.118 19108 9045 1 10 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.608 1.230 19108 9046 1 10 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.063 1.383 19108 9047 1 10 . 1 1 193 193 ILE H H 193 7.896 7.896 7.869 0.027 19108 9048 1 10 . 1 1 194 194 LEU N N 194 116.435 116.435 117.554 -1.119 19108 9049 1 10 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.167 0.106 19108 9050 1 10 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.476 0.237 19108 9051 1 10 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.082 -1.611 19108 9052 1 10 . 1 1 194 194 LEU H H 194 8.296 8.296 7.765 0.531 19108 9053 1 10 . 1 1 195 195 GLN N N 195 118.580 118.580 117.105 1.475 19108 9054 1 10 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.923 0.412 19108 9055 1 10 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.452 -2.035 19108 9056 1 10 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.342 1.256 19108 9057 1 10 . 1 1 195 195 GLN H H 195 7.921 7.921 7.874 0.047 19108 9058 1 10 . 1 1 196 196 ASN N N 196 118.941 118.941 117.464 1.477 19108 9059 1 10 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.938 -0.236 19108 9060 1 10 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.584 0.866 19108 9061 1 10 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.863 -1.038 19108 9062 1 10 . 1 1 196 196 ASN H H 196 8.078 8.078 8.358 -0.280 19108 9063 1 10 . 1 1 197 197 GLN N N 197 120.984 120.984 124.314 -3.330 19108 9064 1 10 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.158 0.198 19108 9065 1 10 . 1 1 197 197 GLN CA C 197 56.166 56.166 58.340 -2.174 19108 9066 1 10 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.047 0.449 19108 9067 1 10 . 1 1 197 197 GLN H H 197 8.526 8.526 8.684 -0.158 19108 9068 1 10 . 1 1 198 198 GLY N N 198 109.565 109.565 108.226 1.339 19108 9069 1 10 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.128 0.256 19108 9070 1 10 . 1 1 198 198 GLY H H 198 8.467 8.467 8.500 -0.033 19108 9071 1 11 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.390 -0.016 19108 9072 1 11 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.421 -0.073 19108 9073 1 11 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.623 -0.170 19108 9074 1 11 . 1 1 3 3 ALA N N 3 125.932 125.932 128.295 -2.363 19108 9075 1 11 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.409 -0.059 19108 9076 1 11 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.963 -0.556 19108 9077 1 11 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.339 0.241 19108 9078 1 11 . 1 1 3 3 ALA H H 3 8.526 8.526 8.428 0.098 19108 9079 1 11 . 1 1 4 4 SER N N 4 116.729 116.729 113.141 3.588 19108 9080 1 11 . 1 1 4 4 SER HA H 4 4.766 4.766 4.285 0.481 19108 9081 1 11 . 1 1 4 4 SER CA C 4 56.283 56.283 57.811 -1.528 19108 9082 1 11 . 1 1 4 4 SER CB C 4 63.278 63.278 63.093 0.185 19108 9083 1 11 . 1 1 4 4 SER H H 4 8.397 8.397 8.389 0.008 19108 9084 1 11 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.340 0.106 19108 9085 1 11 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.701 -0.395 19108 9086 1 11 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.265 -0.168 19108 9087 1 11 . 1 1 6 6 ALA N N 6 124.236 124.236 122.228 2.008 19108 9088 1 11 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.079 0.254 19108 9089 1 11 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.531 0.032 19108 9090 1 11 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.439 0.895 19108 9091 1 11 . 1 1 6 6 ALA H H 6 8.411 8.411 8.052 0.359 19108 9092 1 11 . 1 1 7 7 SER N N 7 114.497 114.497 115.025 -0.528 19108 9093 1 11 . 1 1 7 7 SER HA H 7 4.475 4.475 4.515 -0.040 19108 9094 1 11 . 1 1 7 7 SER CA C 7 58.258 58.258 57.823 0.435 19108 9095 1 11 . 1 1 7 7 SER CB C 7 64.174 64.174 65.141 -0.967 19108 9096 1 11 . 1 1 7 7 SER H H 7 8.195 8.195 8.286 -0.091 19108 9097 1 11 . 1 1 8 8 GLY N N 8 110.497 110.497 109.129 1.368 19108 9098 1 11 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.012 -0.166 19108 9099 1 11 . 1 1 8 8 GLY H H 8 8.226 8.226 8.591 -0.365 19108 9100 1 11 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.464 -0.015 19108 9101 1 11 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.452 -0.018 19108 9102 1 11 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.133 0.060 19108 9103 1 11 . 1 1 10 10 ARG N N 10 120.534 120.534 126.267 -5.733 19108 9104 1 11 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.495 -0.154 19108 9105 1 11 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.619 -0.603 19108 9106 1 11 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.721 -0.912 19108 9107 1 11 . 1 1 10 10 ARG H H 10 8.469 8.469 8.676 -0.207 19108 9108 1 11 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.722 0.103 19108 9109 1 11 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.794 -0.334 19108 9110 1 11 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.572 -0.381 19108 9111 1 11 . 1 1 12 12 LEU N N 12 122.284 122.284 123.218 -0.934 19108 9112 1 11 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.106 0.503 19108 9113 1 11 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.162 1.868 19108 9114 1 11 . 1 1 12 12 LEU H H 12 8.250 8.250 8.385 -0.135 19108 9115 1 11 . 1 1 13 13 MET N N 13 121.493 121.493 116.326 5.167 19108 9116 1 11 . 1 1 13 13 MET HA H 13 4.038 4.038 4.380 -0.342 19108 9117 1 11 . 1 1 13 13 MET CA C 13 54.449 54.449 55.081 -0.632 19108 9118 1 11 . 1 1 13 13 MET CB C 13 35.015 35.015 33.267 1.748 19108 9119 1 11 . 1 1 13 13 MET H H 13 8.955 8.955 7.453 1.502 19108 9120 1 11 . 1 1 14 14 ASP N N 14 127.113 127.113 119.986 7.127 19108 9121 1 11 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.774 -0.674 19108 9122 1 11 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.869 -0.413 19108 9123 1 11 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.838 0.672 19108 9124 1 11 . 1 1 14 14 ASP H H 14 8.514 8.514 8.568 -0.054 19108 9125 1 11 . 1 1 15 15 PRO HA H 15 3.853 3.853 3.998 -0.145 19108 9126 1 11 . 1 1 15 15 PRO CA C 15 66.654 66.654 65.261 1.393 19108 9127 1 11 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.903 -0.252 19108 9128 1 11 . 1 1 16 16 HIS N N 16 115.776 115.776 116.694 -0.918 19108 9129 1 11 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.437 -0.159 19108 9130 1 11 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.480 -0.562 19108 9131 1 11 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.595 -0.387 19108 9132 1 11 . 1 1 16 16 HIS H H 16 8.591 8.591 8.293 0.298 19108 9133 1 11 . 1 1 17 17 ILE N N 17 122.675 122.675 117.111 5.564 19108 9134 1 11 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.111 0.373 19108 9135 1 11 . 1 1 17 17 ILE CA C 17 63.226 63.226 63.613 -0.387 19108 9136 1 11 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.762 -0.665 19108 9137 1 11 . 1 1 17 17 ILE H H 17 7.558 7.558 7.222 0.336 19108 9138 1 11 . 1 1 18 18 PHE N N 18 120.513 120.513 122.455 -1.942 19108 9139 1 11 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.235 -0.232 19108 9140 1 11 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.743 1.061 19108 9141 1 11 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.762 -0.122 19108 9142 1 11 . 1 1 18 18 PHE H H 18 7.831 7.831 7.873 -0.042 19108 9143 1 11 . 1 1 19 19 THR N N 19 114.555 114.555 114.243 0.312 19108 9144 1 11 . 1 1 19 19 THR HA H 19 3.657 3.657 4.278 -0.621 19108 9145 1 11 . 1 1 19 19 THR CA C 19 66.485 66.485 65.934 0.551 19108 9146 1 11 . 1 1 19 19 THR CB C 19 68.345 68.345 68.390 -0.045 19108 9147 1 11 . 1 1 19 19 THR H H 19 9.036 9.036 8.104 0.932 19108 9148 1 11 . 1 1 20 20 SER N N 20 113.030 113.030 116.319 -3.289 19108 9149 1 11 . 1 1 20 20 SER HA H 20 4.062 4.062 4.466 -0.404 19108 9150 1 11 . 1 1 20 20 SER CA C 20 60.610 60.610 60.858 -0.248 19108 9151 1 11 . 1 1 20 20 SER CB C 20 63.843 63.843 63.718 0.125 19108 9152 1 11 . 1 1 20 20 SER H H 20 7.809 7.809 7.838 -0.029 19108 9153 1 11 . 1 1 21 21 ASN N N 21 115.629 115.629 120.353 -4.724 19108 9154 1 11 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.550 -0.139 19108 9155 1 11 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.811 1.178 19108 9156 1 11 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.627 2.953 19108 9157 1 11 . 1 1 21 21 ASN H H 21 7.362 7.362 8.656 -1.294 19108 9158 1 11 . 1 1 22 22 PHE N N 22 117.773 117.773 113.103 4.670 19108 9159 1 11 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.755 -0.482 19108 9160 1 11 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.313 -0.853 19108 9161 1 11 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.809 -1.979 19108 9162 1 11 . 1 1 22 22 PHE H H 22 8.296 8.296 7.876 0.420 19108 9163 1 11 . 1 1 23 23 ASN N N 23 115.026 115.026 121.080 -6.054 19108 9164 1 11 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.571 -0.042 19108 9165 1 11 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.906 0.736 19108 9166 1 11 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.632 -2.009 19108 9167 1 11 . 1 1 23 23 ASN H H 23 6.097 6.097 8.256 -2.159 19108 9168 1 11 . 1 1 24 24 ASN N N 24 122.900 122.900 122.633 0.267 19108 9169 1 11 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.335 0.098 19108 9170 1 11 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.436 -1.163 19108 9171 1 11 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.575 -0.683 19108 9172 1 11 . 1 1 24 24 ASN H H 24 7.083 7.083 8.044 -0.961 19108 9173 1 11 . 1 1 25 25 GLY N N 25 105.587 105.587 111.201 -5.614 19108 9174 1 11 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.978 -0.113 19108 9175 1 11 . 1 1 25 25 GLY H H 25 8.520 8.520 8.674 -0.154 19108 9176 1 11 . 1 1 26 26 ILE N N 26 120.182 120.182 118.348 1.834 19108 9177 1 11 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.697 -0.523 19108 9178 1 11 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.716 1.727 19108 9179 1 11 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.065 0.450 19108 9180 1 11 . 1 1 26 26 ILE H H 26 6.944 6.944 7.786 -0.842 19108 9181 1 11 . 1 1 27 27 GLY N N 27 111.665 111.665 108.102 3.563 19108 9182 1 11 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.889 0.430 19108 9183 1 11 . 1 1 27 27 GLY H H 27 8.457 8.457 8.755 -0.298 19108 9184 1 11 . 1 1 28 28 ARG N N 28 117.565 117.565 118.375 -0.810 19108 9185 1 11 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.514 -0.949 19108 9186 1 11 . 1 1 28 28 ARG H H 28 6.741 6.741 8.175 -1.434 19108 9187 1 11 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.251 1.752 19108 9188 1 11 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.391 -0.347 19108 9189 1 11 . 1 1 29 29 HIS H H 29 8.636 8.636 8.816 -0.180 19108 9190 1 11 . 1 1 30 30 LYS N N 30 119.344 119.344 124.126 -4.782 19108 9191 1 11 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.328 0.093 19108 9192 1 11 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.003 1.861 19108 9193 1 11 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.142 2.049 19108 9194 1 11 . 1 1 30 30 LYS H H 30 7.870 7.870 8.177 -0.307 19108 9195 1 11 . 1 1 31 31 THR N N 31 118.233 118.233 112.309 5.924 19108 9196 1 11 . 1 1 31 31 THR HA H 31 4.125 4.125 3.688 0.437 19108 9197 1 11 . 1 1 31 31 THR CA C 31 63.175 63.175 62.879 0.296 19108 9198 1 11 . 1 1 31 31 THR H H 31 8.436 8.436 7.217 1.219 19108 9199 1 11 . 1 1 32 32 TYR N N 32 124.026 124.026 119.791 4.235 19108 9200 1 11 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.009 -0.073 19108 9201 1 11 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.506 -0.005 19108 9202 1 11 . 1 1 32 32 TYR CB C 32 44.404 44.404 43.163 1.240 19108 9203 1 11 . 1 1 32 32 TYR H H 32 8.244 8.244 8.810 -0.566 19108 9204 1 11 . 1 1 33 33 LEU N N 33 125.428 125.428 124.056 1.372 19108 9205 1 11 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.237 -0.158 19108 9206 1 11 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.173 1.665 19108 9207 1 11 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.381 1.603 19108 9208 1 11 . 1 1 33 33 LEU H H 33 9.232 9.232 9.392 -0.160 19108 9209 1 11 . 1 1 34 34 CYS N N 34 125.975 125.975 126.573 -0.598 19108 9210 1 11 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.737 0.269 19108 9211 1 11 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.200 0.945 19108 9212 1 11 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.309 1.993 19108 9213 1 11 . 1 1 34 34 CYS H H 34 9.640 9.640 8.985 0.655 19108 9214 1 11 . 1 1 35 35 TYR N N 35 121.183 121.183 123.050 -1.867 19108 9215 1 11 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.382 1.106 19108 9216 1 11 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.016 -0.234 19108 9217 1 11 . 1 1 35 35 TYR CB C 35 43.090 43.090 39.553 3.538 19108 9218 1 11 . 1 1 35 35 TYR H H 35 9.094 9.094 8.300 0.794 19108 9219 1 11 . 1 1 36 36 GLU N N 36 115.538 115.538 122.739 -7.201 19108 9220 1 11 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.939 0.496 19108 9221 1 11 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.638 0.753 19108 9222 1 11 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.832 -0.288 19108 9223 1 11 . 1 1 36 36 GLU H H 36 8.977 8.977 8.909 0.068 19108 9224 1 11 . 1 1 37 37 VAL N N 37 121.600 121.600 121.855 -0.255 19108 9225 1 11 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.948 0.211 19108 9226 1 11 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.763 0.285 19108 9227 1 11 . 1 1 37 37 VAL CB C 37 35.070 35.070 35.235 -0.165 19108 9228 1 11 . 1 1 37 37 VAL H H 37 9.271 9.271 8.879 0.392 19108 9229 1 11 . 1 1 38 38 GLU N N 38 125.227 125.227 124.624 0.603 19108 9230 1 11 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.279 -0.061 19108 9231 1 11 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.367 -0.115 19108 9232 1 11 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.834 1.093 19108 9233 1 11 . 1 1 38 38 GLU H H 38 9.114 9.114 8.626 0.488 19108 9234 1 11 . 1 1 39 39 ARG N N 39 124.872 124.872 120.652 4.220 19108 9235 1 11 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.287 1.078 19108 9236 1 11 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.703 0.544 19108 9237 1 11 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.085 0.480 19108 9238 1 11 . 1 1 39 39 ARG H H 39 9.215 9.215 8.355 0.860 19108 9239 1 11 . 1 1 40 40 LEU N N 40 126.510 126.510 122.851 3.659 19108 9240 1 11 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.655 0.098 19108 9241 1 11 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.438 -0.115 19108 9242 1 11 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.862 -3.019 19108 9243 1 11 . 1 1 40 40 LEU H H 40 8.659 8.659 7.809 0.850 19108 9244 1 11 . 1 1 41 41 ASP N N 41 124.410 124.410 124.647 -0.237 19108 9245 1 11 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.742 0.051 19108 9246 1 11 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.894 -0.676 19108 9247 1 11 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.445 -0.712 19108 9248 1 11 . 1 1 41 41 ASP H H 41 8.575 8.575 8.374 0.201 19108 9249 1 11 . 1 1 42 42 ASN N N 42 123.319 123.319 124.234 -0.915 19108 9250 1 11 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.371 0.049 19108 9251 1 11 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.684 0.489 19108 9252 1 11 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.255 -0.408 19108 9253 1 11 . 1 1 42 42 ASN H H 42 9.048 9.048 9.074 -0.026 19108 9254 1 11 . 1 1 43 43 GLY N N 43 106.044 106.044 103.951 2.093 19108 9255 1 11 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.340 0.054 19108 9256 1 11 . 1 1 43 43 GLY H H 43 8.548 8.548 8.444 0.104 19108 9257 1 11 . 1 1 44 44 THR N N 44 115.893 115.893 121.155 -5.262 19108 9258 1 11 . 1 1 44 44 THR HA H 44 4.524 4.524 4.165 0.359 19108 9259 1 11 . 1 1 44 44 THR CA C 44 61.285 61.285 63.352 -2.067 19108 9260 1 11 . 1 1 44 44 THR CB C 44 70.572 70.572 68.967 1.605 19108 9261 1 11 . 1 1 44 44 THR H H 44 7.833 7.833 7.826 0.007 19108 9262 1 11 . 1 1 45 45 SER N N 45 119.589 119.589 123.425 -3.836 19108 9263 1 11 . 1 1 45 45 SER HA H 45 4.804 4.804 5.208 -0.404 19108 9264 1 11 . 1 1 45 45 SER CA C 45 58.080 58.080 57.419 0.661 19108 9265 1 11 . 1 1 45 45 SER CB C 45 64.265 64.265 63.511 0.753 19108 9266 1 11 . 1 1 45 45 SER H H 45 8.590 8.590 8.668 -0.078 19108 9267 1 11 . 1 1 46 46 VAL N N 46 125.827 125.827 126.420 -0.593 19108 9268 1 11 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.139 0.154 19108 9269 1 11 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.780 0.063 19108 9270 1 11 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.145 0.372 19108 9271 1 11 . 1 1 46 46 VAL H H 46 9.034 9.034 8.314 0.720 19108 9272 1 11 . 1 1 47 47 LYS N N 47 126.528 126.528 126.784 -0.256 19108 9273 1 11 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.459 -0.174 19108 9274 1 11 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.878 1.787 19108 9275 1 11 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.528 -0.736 19108 9276 1 11 . 1 1 47 47 LYS H H 47 8.738 8.738 8.451 0.287 19108 9277 1 11 . 1 1 48 48 MET N N 48 122.645 122.645 124.101 -1.456 19108 9278 1 11 . 1 1 48 48 MET HA H 48 5.195 5.195 4.621 0.574 19108 9279 1 11 . 1 1 48 48 MET CA C 48 54.747 54.747 55.664 -0.917 19108 9280 1 11 . 1 1 48 48 MET CB C 48 32.379 32.379 33.924 -1.545 19108 9281 1 11 . 1 1 48 48 MET H H 48 8.334 8.334 8.325 0.009 19108 9282 1 11 . 1 1 49 49 ASP N N 49 123.713 123.713 122.832 0.881 19108 9283 1 11 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.556 -0.132 19108 9284 1 11 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.981 -0.371 19108 9285 1 11 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.708 -0.674 19108 9286 1 11 . 1 1 49 49 ASP H H 49 8.575 8.575 8.828 -0.253 19108 9287 1 11 . 1 1 50 50 GLN N N 50 117.540 117.540 118.197 -0.657 19108 9288 1 11 . 1 1 50 50 GLN H H 50 9.110 9.110 8.555 0.555 19108 9289 1 11 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.720 0.431 19108 9290 1 11 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.539 -1.705 19108 9291 1 11 . 1 1 51 51 HIS H H 51 8.031 8.031 8.269 -0.238 19108 9292 1 11 . 1 1 52 52 ARG N N 52 117.888 117.888 119.866 -1.978 19108 9293 1 11 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.592 0.645 19108 9294 1 11 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.908 0.147 19108 9295 1 11 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.470 0.584 19108 9296 1 11 . 1 1 52 52 ARG H H 52 7.685 7.685 7.489 0.196 19108 9297 1 11 . 1 1 53 53 GLY N N 53 108.573 108.573 106.304 2.269 19108 9298 1 11 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.264 0.444 19108 9299 1 11 . 1 1 53 53 GLY H H 53 7.529 7.529 7.295 0.234 19108 9300 1 11 . 1 1 54 54 PHE N N 54 113.146 113.146 116.225 -3.079 19108 9301 1 11 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.738 0.257 19108 9302 1 11 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.149 0.707 19108 9303 1 11 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.173 2.190 19108 9304 1 11 . 1 1 54 54 PHE H H 54 8.287 8.287 7.707 0.580 19108 9305 1 11 . 1 1 55 55 LEU N N 55 119.389 119.389 119.716 -0.327 19108 9306 1 11 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.808 -0.113 19108 9307 1 11 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.407 0.305 19108 9308 1 11 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.194 0.433 19108 9309 1 11 . 1 1 55 55 LEU H H 55 9.452 9.452 9.110 0.342 19108 9310 1 11 . 1 1 56 56 HIS N N 56 114.176 114.176 114.141 0.035 19108 9311 1 11 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.858 0.581 19108 9312 1 11 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.831 0.634 19108 9313 1 11 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.676 -0.209 19108 9314 1 11 . 1 1 56 56 HIS H H 56 7.709 7.709 7.467 0.242 19108 9315 1 11 . 1 1 57 57 ASN N N 57 116.522 116.522 119.050 -2.528 19108 9316 1 11 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.379 0.036 19108 9317 1 11 . 1 1 57 57 ASN CA C 57 54.184 54.184 55.534 -1.350 19108 9318 1 11 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.064 -0.402 19108 9319 1 11 . 1 1 57 57 ASN H H 57 8.684 8.684 7.915 0.769 19108 9320 1 11 . 1 1 58 58 GLN N N 58 122.850 122.850 115.976 6.874 19108 9321 1 11 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.910 0.479 19108 9322 1 11 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.450 -2.597 19108 9323 1 11 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.922 1.460 19108 9324 1 11 . 1 1 58 58 GLN H H 58 9.099 9.099 8.773 0.326 19108 9325 1 11 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.227 0.073 19108 9326 1 11 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.984 0.520 19108 9327 1 11 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.852 -0.431 19108 9328 1 11 . 1 1 60 60 LYS N N 60 119.998 119.998 117.599 2.399 19108 9329 1 11 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.793 -0.017 19108 9330 1 11 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.525 -1.224 19108 9331 1 11 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.994 0.822 19108 9332 1 11 . 1 1 60 60 LYS H H 60 8.344 8.344 7.710 0.634 19108 9333 1 11 . 1 1 61 61 ASN N N 61 119.688 119.688 112.946 6.742 19108 9334 1 11 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.399 0.056 19108 9335 1 11 . 1 1 61 61 ASN CA C 61 52.904 52.904 54.189 -1.285 19108 9336 1 11 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.301 1.236 19108 9337 1 11 . 1 1 61 61 ASN H H 61 8.643 8.643 8.577 0.066 19108 9338 1 11 . 1 1 62 62 LEU N N 62 124.761 124.761 118.512 6.249 19108 9339 1 11 . 1 1 62 62 LEU HA H 62 3.934 3.934 3.579 0.355 19108 9340 1 11 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.908 -0.663 19108 9341 1 11 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.103 -0.161 19108 9342 1 11 . 1 1 62 62 LEU H H 62 8.873 8.873 7.875 0.998 19108 9343 1 11 . 1 1 63 63 LEU N N 63 120.312 120.312 118.448 1.864 19108 9344 1 11 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.067 0.132 19108 9345 1 11 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.486 -0.409 19108 9346 1 11 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.633 -0.376 19108 9347 1 11 . 1 1 63 63 LEU H H 63 8.145 8.145 8.054 0.091 19108 9348 1 11 . 1 1 64 64 CYS N N 64 113.898 113.898 116.454 -2.556 19108 9349 1 11 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.194 -0.023 19108 9350 1 11 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.879 -3.095 19108 9351 1 11 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.258 0.460 19108 9352 1 11 . 1 1 64 64 CYS H H 64 7.376 7.376 7.986 -0.610 19108 9353 1 11 . 1 1 65 65 GLY N N 65 108.894 108.894 107.879 1.015 19108 9354 1 11 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.433 0.550 19108 9355 1 11 . 1 1 65 65 GLY H H 65 7.789 7.789 8.261 -0.472 19108 9356 1 11 . 1 1 66 66 PHE N N 66 118.711 118.711 119.558 -0.847 19108 9357 1 11 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.253 -0.336 19108 9358 1 11 . 1 1 66 66 PHE CA C 66 55.940 55.940 59.302 -3.362 19108 9359 1 11 . 1 1 66 66 PHE CB C 66 40.268 40.268 38.729 1.539 19108 9360 1 11 . 1 1 66 66 PHE H H 66 7.699 7.699 7.414 0.285 19108 9361 1 11 . 1 1 67 67 TYR N N 67 124.623 124.623 120.291 4.332 19108 9362 1 11 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.262 0.038 19108 9363 1 11 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.188 -0.424 19108 9364 1 11 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.403 -0.250 19108 9365 1 11 . 1 1 67 67 TYR H H 67 8.568 8.568 7.659 0.909 19108 9366 1 11 . 1 1 69 69 ARG N N 69 121.427 121.427 120.356 1.071 19108 9367 1 11 . 1 1 69 69 ARG CA C 69 57.057 57.057 55.043 2.014 19108 9368 1 11 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.514 -1.218 19108 9369 1 11 . 1 1 69 69 ARG H H 69 8.313 8.313 8.154 0.159 19108 9370 1 11 . 1 1 70 70 HIS N N 70 128.351 128.351 120.872 7.479 19108 9371 1 11 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.863 -0.081 19108 9372 1 11 . 1 1 70 70 HIS CA C 70 56.716 56.716 53.889 2.827 19108 9373 1 11 . 1 1 70 70 HIS CB C 70 31.776 31.776 32.148 -0.372 19108 9374 1 11 . 1 1 70 70 HIS H H 70 9.182 9.182 8.145 1.037 19108 9375 1 11 . 1 1 71 71 ALA N N 71 125.649 125.649 125.378 0.271 19108 9376 1 11 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.831 -0.474 19108 9377 1 11 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.864 0.918 19108 9378 1 11 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.547 -0.537 19108 9379 1 11 . 1 1 71 71 ALA H H 71 8.968 8.968 8.775 0.193 19108 9380 1 11 . 1 1 72 72 GLU N N 72 119.941 119.941 118.253 1.688 19108 9381 1 11 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.701 -0.724 19108 9382 1 11 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.497 1.459 19108 9383 1 11 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.115 -1.109 19108 9384 1 11 . 1 1 72 72 GLU H H 72 12.692 12.692 8.583 4.109 19108 9385 1 11 . 1 1 73 73 LEU N N 73 114.882 114.882 120.060 -5.178 19108 9386 1 11 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.958 -0.373 19108 9387 1 11 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.777 -1.116 19108 9388 1 11 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.669 -2.424 19108 9389 1 11 . 1 1 73 73 LEU H H 73 6.637 6.637 7.603 -0.966 19108 9390 1 11 . 1 1 74 74 ARG N N 74 117.799 117.799 118.375 -0.576 19108 9391 1 11 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.965 0.076 19108 9392 1 11 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.902 -0.727 19108 9393 1 11 . 1 1 74 74 ARG H H 74 7.556 7.556 7.297 0.259 19108 9394 1 11 . 1 1 75 75 PHE N N 75 119.783 119.783 118.709 1.074 19108 9395 1 11 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.169 -0.608 19108 9396 1 11 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.965 1.709 19108 9397 1 11 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.114 -1.076 19108 9398 1 11 . 1 1 75 75 PHE H H 75 8.233 8.233 7.863 0.370 19108 9399 1 11 . 1 1 76 76 LEU N N 76 119.526 119.526 120.966 -1.440 19108 9400 1 11 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.653 -0.095 19108 9401 1 11 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.196 0.843 19108 9402 1 11 . 1 1 76 76 LEU CB C 76 39.016 39.016 40.502 -1.486 19108 9403 1 11 . 1 1 76 76 LEU H H 76 7.629 7.629 7.908 -0.279 19108 9404 1 11 . 1 1 77 77 ASP N N 77 118.215 118.215 117.772 0.443 19108 9405 1 11 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.437 -0.279 19108 9406 1 11 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.688 -0.288 19108 9407 1 11 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.847 -0.479 19108 9408 1 11 . 1 1 77 77 ASP H H 77 8.190 8.190 7.719 0.471 19108 9409 1 11 . 1 1 78 78 LEU N N 78 117.496 117.496 119.565 -2.069 19108 9410 1 11 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.037 0.253 19108 9411 1 11 . 1 1 78 78 LEU CA C 78 54.985 54.985 56.100 -1.115 19108 9412 1 11 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.018 0.383 19108 9413 1 11 . 1 1 78 78 LEU H H 78 7.252 7.252 7.408 -0.156 19108 9414 1 11 . 1 1 79 79 VAL N N 79 120.915 120.915 119.601 1.314 19108 9415 1 11 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.443 -0.220 19108 9416 1 11 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.634 -0.106 19108 9417 1 11 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.124 -0.004 19108 9418 1 11 . 1 1 79 79 VAL H H 79 7.179 7.179 6.831 0.348 19108 9419 1 11 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.166 -0.191 19108 9420 1 11 . 1 1 80 80 PRO CA C 80 66.787 66.787 66.185 0.602 19108 9421 1 11 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.864 -1.056 19108 9422 1 11 . 1 1 81 81 SER N N 81 112.727 112.727 113.588 -0.861 19108 9423 1 11 . 1 1 81 81 SER HA H 81 4.314 4.314 4.218 0.096 19108 9424 1 11 . 1 1 81 81 SER CA C 81 60.618 60.618 60.688 -0.070 19108 9425 1 11 . 1 1 81 81 SER CB C 81 63.450 63.450 62.817 0.633 19108 9426 1 11 . 1 1 81 81 SER H H 81 7.828 7.828 7.721 0.107 19108 9427 1 11 . 1 1 82 82 LEU N N 82 120.918 120.918 118.425 2.493 19108 9428 1 11 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.556 -0.682 19108 9429 1 11 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.730 0.762 19108 9430 1 11 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.161 -2.950 19108 9431 1 11 . 1 1 82 82 LEU H H 82 7.912 7.912 7.763 0.149 19108 9432 1 11 . 1 1 83 83 GLN N N 83 111.397 111.397 119.083 -7.686 19108 9433 1 11 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.989 -0.181 19108 9434 1 11 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.201 -0.035 19108 9435 1 11 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.246 -0.578 19108 9436 1 11 . 1 1 83 83 GLN H H 83 7.458 7.458 7.876 -0.418 19108 9437 1 11 . 1 1 84 84 LEU N N 84 118.520 118.520 120.708 -2.188 19108 9438 1 11 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.192 -0.473 19108 9439 1 11 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.015 -1.273 19108 9440 1 11 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.612 -3.367 19108 9441 1 11 . 1 1 84 84 LEU H H 84 8.736 8.736 8.124 0.612 19108 9442 1 11 . 1 1 85 85 ASP N N 85 126.187 126.187 123.393 2.794 19108 9443 1 11 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.929 -0.046 19108 9444 1 11 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.429 -0.083 19108 9445 1 11 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.285 0.663 19108 9446 1 11 . 1 1 85 85 ASP H H 85 8.415 8.415 8.099 0.316 19108 9447 1 11 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.243 -0.315 19108 9448 1 11 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.454 0.184 19108 9449 1 11 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.144 -0.858 19108 9450 1 11 . 1 1 87 87 ALA N N 87 121.030 121.030 123.007 -1.977 19108 9451 1 11 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.118 0.300 19108 9452 1 11 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.080 -1.908 19108 9453 1 11 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.831 0.517 19108 9454 1 11 . 1 1 87 87 ALA H H 87 8.504 8.504 7.938 0.566 19108 9455 1 11 . 1 1 88 88 GLN N N 88 119.601 119.601 116.874 2.727 19108 9456 1 11 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.423 0.099 19108 9457 1 11 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.669 -1.235 19108 9458 1 11 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.401 -0.351 19108 9459 1 11 . 1 1 88 88 GLN H H 88 8.125 8.125 8.130 -0.005 19108 9460 1 11 . 1 1 89 89 ILE N N 89 118.195 118.195 119.867 -1.672 19108 9461 1 11 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.344 0.625 19108 9462 1 11 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.747 -1.206 19108 9463 1 11 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.821 0.431 19108 9464 1 11 . 1 1 89 89 ILE H H 89 8.099 8.099 8.459 -0.360 19108 9465 1 11 . 1 1 90 90 TYR N N 90 122.421 122.421 122.809 -0.388 19108 9466 1 11 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.951 0.410 19108 9467 1 11 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.196 -1.156 19108 9468 1 11 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.667 -0.841 19108 9469 1 11 . 1 1 90 90 TYR H H 90 8.892 8.892 8.159 0.733 19108 9470 1 11 . 1 1 91 91 ARG N N 91 121.043 121.043 121.002 0.041 19108 9471 1 11 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.908 0.335 19108 9472 1 11 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.187 -1.652 19108 9473 1 11 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.593 -0.461 19108 9474 1 11 . 1 1 91 91 ARG H H 91 9.327 9.327 8.753 0.574 19108 9475 1 11 . 1 1 92 92 VAL N N 92 132.287 132.287 129.621 2.666 19108 9476 1 11 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.012 -0.088 19108 9477 1 11 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.661 -0.756 19108 9478 1 11 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.004 -0.151 19108 9479 1 11 . 1 1 92 92 VAL H H 92 9.668 9.668 9.159 0.509 19108 9480 1 11 . 1 1 93 93 THR N N 93 124.468 124.468 125.377 -0.909 19108 9481 1 11 . 1 1 93 93 THR HA H 93 5.264 5.264 4.620 0.644 19108 9482 1 11 . 1 1 93 93 THR CA C 93 61.616 61.616 62.744 -1.128 19108 9483 1 11 . 1 1 93 93 THR CB C 93 70.082 70.082 69.826 0.257 19108 9484 1 11 . 1 1 93 93 THR H H 93 9.381 9.381 8.642 0.739 19108 9485 1 11 . 1 1 94 94 TRP N N 94 124.491 124.491 127.423 -2.932 19108 9486 1 11 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.834 0.832 19108 9487 1 11 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.269 -3.064 19108 9488 1 11 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.805 2.863 19108 9489 1 11 . 1 1 94 94 TRP H H 94 9.071 9.071 8.962 0.109 19108 9490 1 11 . 1 1 95 95 PHE N N 95 122.179 122.179 122.753 -0.574 19108 9491 1 11 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.964 0.706 19108 9492 1 11 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.151 -0.377 19108 9493 1 11 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.037 -0.588 19108 9494 1 11 . 1 1 95 95 PHE H H 95 9.578 9.578 8.395 1.183 19108 9495 1 11 . 1 1 96 96 ILE N N 96 125.072 125.072 122.467 2.605 19108 9496 1 11 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.110 0.863 19108 9497 1 11 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.887 -1.460 19108 9498 1 11 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.107 4.966 19108 9499 1 11 . 1 1 96 96 ILE H H 96 9.816 9.816 9.079 0.737 19108 9500 1 11 . 1 1 97 97 SER N N 97 124.020 124.020 119.143 4.877 19108 9501 1 11 . 1 1 97 97 SER HA H 97 3.623 3.623 4.509 -0.886 19108 9502 1 11 . 1 1 97 97 SER CA C 97 61.750 61.750 60.651 1.099 19108 9503 1 11 . 1 1 97 97 SER CB C 97 63.711 63.711 63.548 0.163 19108 9504 1 11 . 1 1 97 97 SER H H 97 9.156 9.156 8.390 0.766 19108 9505 1 11 . 1 1 98 98 TRP N N 98 114.829 114.829 120.687 -5.858 19108 9506 1 11 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.054 0.285 19108 9507 1 11 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.773 -2.103 19108 9508 1 11 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.593 3.158 19108 9509 1 11 . 1 1 98 98 TRP H H 98 6.619 6.619 7.864 -1.245 19108 9510 1 11 . 1 1 99 99 SER N N 99 115.444 115.444 116.286 -0.842 19108 9511 1 11 . 1 1 99 99 SER CA C 99 58.045 58.045 55.914 2.131 19108 9512 1 11 . 1 1 99 99 SER CB C 99 61.927 61.927 64.257 -2.330 19108 9513 1 11 . 1 1 99 99 SER H H 99 8.590 8.590 8.507 0.083 19108 9514 1 11 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.537 -1.612 19108 9515 1 11 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.483 2.313 19108 9516 1 11 . 1 1 101 101 CYS N N 101 121.768 121.768 116.629 5.139 19108 9517 1 11 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.842 1.817 19108 9518 1 11 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.410 1.779 19108 9519 1 11 . 1 1 101 101 CYS H H 101 8.686 8.686 8.388 0.298 19108 9520 1 11 . 1 1 102 102 PHE N N 102 115.031 115.031 123.095 -8.064 19108 9521 1 11 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.407 2.554 19108 9522 1 11 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.861 1.296 19108 9523 1 11 . 1 1 102 102 PHE H H 102 9.318 9.318 8.186 1.132 19108 9524 1 11 . 1 1 103 103 SER N N 103 119.552 119.552 124.581 -5.029 19108 9525 1 11 . 1 1 103 103 SER HA H 103 3.713 3.713 4.162 -0.449 19108 9526 1 11 . 1 1 103 103 SER CA C 103 63.368 63.368 62.166 1.202 19108 9527 1 11 . 1 1 103 103 SER CB C 103 60.539 60.539 63.226 -2.687 19108 9528 1 11 . 1 1 103 103 SER H H 103 10.858 10.858 8.674 2.184 19108 9529 1 11 . 1 1 104 104 TRP N N 104 117.909 117.909 123.022 -5.113 19108 9530 1 11 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.786 -1.010 19108 9531 1 11 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.840 0.374 19108 9532 1 11 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.064 -1.179 19108 9533 1 11 . 1 1 104 104 TRP H H 104 7.880 7.880 8.258 -0.378 19108 9534 1 11 . 1 1 105 105 GLY N N 105 106.359 106.359 108.086 -1.727 19108 9535 1 11 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.297 -1.216 19108 9536 1 11 . 1 1 105 105 GLY H H 105 7.468 7.468 8.882 -1.414 19108 9537 1 11 . 1 1 106 106 CYS N N 106 120.359 120.359 121.166 -0.807 19108 9538 1 11 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.567 -0.708 19108 9539 1 11 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.241 3.861 19108 9540 1 11 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.305 2.413 19108 9541 1 11 . 1 1 106 106 CYS H H 106 7.366 7.366 8.081 -0.715 19108 9542 1 11 . 1 1 107 107 ALA N N 107 119.725 119.725 122.651 -2.926 19108 9543 1 11 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.015 -0.150 19108 9544 1 11 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.288 1.645 19108 9545 1 11 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.070 0.373 19108 9546 1 11 . 1 1 107 107 ALA H H 107 8.719 8.719 8.777 -0.058 19108 9547 1 11 . 1 1 108 108 GLY N N 108 103.829 103.829 107.266 -3.437 19108 9548 1 11 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.218 -0.324 19108 9549 1 11 . 1 1 108 108 GLY H H 108 8.555 8.555 8.066 0.489 19108 9550 1 11 . 1 1 109 109 GLU N N 109 123.162 123.162 122.361 0.801 19108 9551 1 11 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.108 0.158 19108 9552 1 11 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.530 -0.238 19108 9553 1 11 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.638 0.744 19108 9554 1 11 . 1 1 109 109 GLU H H 109 8.023 8.023 7.800 0.223 19108 9555 1 11 . 1 1 110 110 VAL N N 110 121.866 121.866 120.349 1.517 19108 9556 1 11 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.691 0.008 19108 9557 1 11 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.427 0.616 19108 9558 1 11 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.608 -0.602 19108 9559 1 11 . 1 1 110 110 VAL H H 110 8.942 8.942 8.488 0.454 19108 9560 1 11 . 1 1 111 111 ARG N N 111 120.587 120.587 120.270 0.317 19108 9561 1 11 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.794 -0.008 19108 9562 1 11 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.861 0.220 19108 9563 1 11 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.005 -0.830 19108 9564 1 11 . 1 1 111 111 ARG H H 111 8.653 8.653 8.462 0.191 19108 9565 1 11 . 1 1 112 112 ALA N N 112 120.687 120.687 120.703 -0.016 19108 9566 1 11 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.042 0.092 19108 9567 1 11 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.013 0.405 19108 9568 1 11 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.109 -0.118 19108 9569 1 11 . 1 1 112 112 ALA H H 112 7.875 7.875 7.879 -0.004 19108 9570 1 11 . 1 1 113 113 PHE N N 113 118.950 118.950 119.664 -0.714 19108 9571 1 11 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.244 0.093 19108 9572 1 11 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.703 -0.327 19108 9573 1 11 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.249 0.138 19108 9574 1 11 . 1 1 113 113 PHE H H 113 8.139 8.139 7.689 0.450 19108 9575 1 11 . 1 1 114 114 LEU N N 114 120.595 120.595 120.538 0.057 19108 9576 1 11 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.876 -0.076 19108 9577 1 11 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.057 -0.924 19108 9578 1 11 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.809 -0.900 19108 9579 1 11 . 1 1 114 114 LEU H H 114 8.639 8.639 8.417 0.222 19108 9580 1 11 . 1 1 115 115 GLN N N 115 117.666 117.666 116.646 1.020 19108 9581 1 11 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.928 0.095 19108 9582 1 11 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.540 -0.154 19108 9583 1 11 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.553 -0.015 19108 9584 1 11 . 1 1 115 115 GLN H H 115 8.167 8.167 8.351 -0.184 19108 9585 1 11 . 1 1 116 116 GLU N N 116 115.380 115.380 117.832 -2.452 19108 9586 1 11 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.291 0.031 19108 9587 1 11 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.620 0.442 19108 9588 1 11 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.001 -0.286 19108 9589 1 11 . 1 1 116 116 GLU H H 116 7.448 7.448 7.749 -0.301 19108 9590 1 11 . 1 1 117 117 ASN N N 117 119.831 119.831 116.875 2.956 19108 9591 1 11 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.836 0.229 19108 9592 1 11 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.337 -0.152 19108 9593 1 11 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.893 -0.647 19108 9594 1 11 . 1 1 117 117 ASN H H 117 7.632 7.632 8.122 -0.490 19108 9595 1 11 . 1 1 118 118 THR N N 118 111.041 111.041 116.336 -5.295 19108 9596 1 11 . 1 1 118 118 THR HA H 118 4.317 4.317 4.034 0.283 19108 9597 1 11 . 1 1 118 118 THR CA C 118 64.081 64.081 63.202 0.879 19108 9598 1 11 . 1 1 118 118 THR CB C 118 68.767 68.767 68.589 0.178 19108 9599 1 11 . 1 1 118 118 THR H H 118 8.054 8.054 7.801 0.253 19108 9600 1 11 . 1 1 119 119 HIS N N 119 120.403 120.403 115.736 4.667 19108 9601 1 11 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.583 -0.294 19108 9602 1 11 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.667 0.934 19108 9603 1 11 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.402 0.918 19108 9604 1 11 . 1 1 119 119 HIS H H 119 9.248 9.248 8.249 0.999 19108 9605 1 11 . 1 1 120 120 VAL N N 120 120.001 120.001 118.935 1.066 19108 9606 1 11 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.661 -0.135 19108 9607 1 11 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.054 2.836 19108 9608 1 11 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.157 -2.162 19108 9609 1 11 . 1 1 120 120 VAL H H 120 7.379 7.379 7.359 0.020 19108 9610 1 11 . 1 1 121 121 ARG N N 121 125.312 125.312 125.984 -0.672 19108 9611 1 11 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.535 0.275 19108 9612 1 11 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.630 -1.563 19108 9613 1 11 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.131 -1.551 19108 9614 1 11 . 1 1 121 121 ARG H H 121 8.775 8.775 8.340 0.435 19108 9615 1 11 . 1 1 122 122 LEU N N 122 125.483 125.483 124.615 0.868 19108 9616 1 11 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.021 0.139 19108 9617 1 11 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.901 -0.600 19108 9618 1 11 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.443 2.229 19108 9619 1 11 . 1 1 122 122 LEU H H 122 9.345 9.345 8.606 0.739 19108 9620 1 11 . 1 1 123 123 ARG N N 123 127.748 127.748 125.886 1.862 19108 9621 1 11 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.410 0.326 19108 9622 1 11 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.492 -0.325 19108 9623 1 11 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.789 0.023 19108 9624 1 11 . 1 1 123 123 ARG H H 123 9.053 9.053 8.229 0.824 19108 9625 1 11 . 1 1 124 124 ILE N N 124 123.665 123.665 123.967 -0.302 19108 9626 1 11 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.205 0.237 19108 9627 1 11 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.031 0.728 19108 9628 1 11 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.247 2.646 19108 9629 1 11 . 1 1 124 124 ILE H H 124 9.019 9.019 8.584 0.435 19108 9630 1 11 . 1 1 125 125 PHE N N 125 126.320 126.320 127.161 -0.841 19108 9631 1 11 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.418 -0.253 19108 9632 1 11 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.499 0.415 19108 9633 1 11 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.410 0.409 19108 9634 1 11 . 1 1 125 125 PHE H H 125 9.359 9.359 8.128 1.231 19108 9635 1 11 . 1 1 126 126 ALA N N 126 124.526 124.526 127.943 -3.417 19108 9636 1 11 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.035 0.781 19108 9637 1 11 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.465 -1.595 19108 9638 1 11 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.579 0.755 19108 9639 1 11 . 1 1 126 126 ALA H H 126 9.091 9.091 8.408 0.683 19108 9640 1 11 . 1 1 127 127 ALA N N 127 126.272 126.272 130.708 -4.436 19108 9641 1 11 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.475 0.276 19108 9642 1 11 . 1 1 127 127 ALA CA C 127 55.468 55.468 54.009 1.459 19108 9643 1 11 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.947 -0.342 19108 9644 1 11 . 1 1 127 127 ALA H H 127 9.049 9.049 9.090 -0.041 19108 9645 1 11 . 1 1 128 128 ARG N N 128 108.570 108.570 116.706 -8.136 19108 9646 1 11 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.016 0.398 19108 9647 1 11 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.367 3.840 19108 9648 1 11 . 1 1 128 128 ARG H H 128 6.741 6.741 7.952 -1.211 19108 9649 1 11 . 1 1 129 129 ILE N N 129 121.285 121.285 118.998 2.287 19108 9650 1 11 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.190 0.101 19108 9651 1 11 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.681 0.186 19108 9652 1 11 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.205 -0.376 19108 9653 1 11 . 1 1 129 129 ILE H H 129 8.340 8.340 7.995 0.345 19108 9654 1 11 . 1 1 130 130 TYR N N 130 130.143 130.143 125.308 4.835 19108 9655 1 11 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.445 0.890 19108 9656 1 11 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.814 -0.888 19108 9657 1 11 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.831 -2.668 19108 9658 1 11 . 1 1 130 130 TYR H H 130 8.870 8.870 8.279 0.591 19108 9659 1 11 . 1 1 131 131 ASP N N 131 123.662 123.662 121.588 2.074 19108 9660 1 11 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.037 -1.370 19108 9661 1 11 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.990 0.723 19108 9662 1 11 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.169 -3.268 19108 9663 1 11 . 1 1 131 131 ASP H H 131 8.123 8.123 7.996 0.127 19108 9664 1 11 . 1 1 132 132 TYR N N 132 116.852 116.852 118.126 -1.274 19108 9665 1 11 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.537 -0.622 19108 9666 1 11 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.504 0.964 19108 9667 1 11 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.438 0.599 19108 9668 1 11 . 1 1 132 132 TYR H H 132 6.448 6.448 8.940 -2.492 19108 9669 1 11 . 1 1 133 133 ASP N N 133 116.930 116.930 120.074 -3.144 19108 9670 1 11 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.384 -1.219 19108 9671 1 11 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.293 1.489 19108 9672 1 11 . 1 1 133 133 ASP H H 133 7.005 7.005 7.954 -0.949 19108 9673 1 11 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.428 -0.325 19108 9674 1 11 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.414 -0.713 19108 9675 1 11 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.968 0.122 19108 9676 1 11 . 1 1 135 135 LEU N N 135 120.252 120.252 117.512 2.740 19108 9677 1 11 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.888 0.810 19108 9678 1 11 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.792 -2.411 19108 9679 1 11 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.983 -1.239 19108 9680 1 11 . 1 1 135 135 LEU H H 135 8.456 8.456 7.927 0.529 19108 9681 1 11 . 1 1 136 136 TYR N N 136 117.432 117.432 118.680 -1.248 19108 9682 1 11 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.088 -0.027 19108 9683 1 11 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.891 1.167 19108 9684 1 11 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.316 0.264 19108 9685 1 11 . 1 1 136 136 TYR H H 136 8.028 8.028 7.686 0.342 19108 9686 1 11 . 1 1 137 137 LYS N N 137 122.000 122.000 117.546 4.454 19108 9687 1 11 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.710 1.589 19108 9688 1 11 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.143 -0.345 19108 9689 1 11 . 1 1 137 137 LYS H H 137 7.503 7.503 7.570 -0.067 19108 9690 1 11 . 1 1 138 138 GLU N N 138 121.833 121.833 120.105 1.728 19108 9691 1 11 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.817 1.024 19108 9692 1 11 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.467 -1.998 19108 9693 1 11 . 1 1 138 138 GLU H H 138 8.752 8.752 7.745 1.007 19108 9694 1 11 . 1 1 139 139 ALA N N 139 119.592 119.592 122.276 -2.684 19108 9695 1 11 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.089 -0.243 19108 9696 1 11 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.158 -0.018 19108 9697 1 11 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.257 1.998 19108 9698 1 11 . 1 1 139 139 ALA H H 139 7.682 7.682 7.557 0.125 19108 9699 1 11 . 1 1 140 140 LEU N N 140 116.268 116.268 118.458 -2.190 19108 9700 1 11 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.716 0.477 19108 9701 1 11 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.891 -0.795 19108 9702 1 11 . 1 1 140 140 LEU H H 140 7.175 7.175 7.575 -0.400 19108 9703 1 11 . 1 1 141 141 GLN N N 141 117.550 117.550 118.300 -0.750 19108 9704 1 11 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.019 -0.300 19108 9705 1 11 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.622 0.429 19108 9706 1 11 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.461 -0.867 19108 9707 1 11 . 1 1 141 141 GLN H H 141 8.322 8.322 7.542 0.780 19108 9708 1 11 . 1 1 142 142 MET N N 142 118.520 118.520 117.921 0.599 19108 9709 1 11 . 1 1 142 142 MET HA H 142 4.135 4.135 4.026 0.109 19108 9710 1 11 . 1 1 142 142 MET CA C 142 59.051 59.051 58.908 0.143 19108 9711 1 11 . 1 1 142 142 MET CB C 142 33.170 33.170 32.174 0.996 19108 9712 1 11 . 1 1 142 142 MET H H 142 8.241 8.241 8.301 -0.060 19108 9713 1 11 . 1 1 143 143 LEU N N 143 118.659 118.659 117.539 1.120 19108 9714 1 11 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.922 0.370 19108 9715 1 11 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.743 0.372 19108 9716 1 11 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.536 -0.159 19108 9717 1 11 . 1 1 143 143 LEU H H 143 7.932 7.932 7.675 0.257 19108 9718 1 11 . 1 1 144 144 ARG N N 144 121.294 121.294 120.783 0.511 19108 9719 1 11 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.888 0.538 19108 9720 1 11 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.526 -0.537 19108 9721 1 11 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.791 -1.683 19108 9722 1 11 . 1 1 144 144 ARG H H 144 7.968 7.968 7.644 0.324 19108 9723 1 11 . 1 1 145 145 ASP N N 145 122.553 122.553 117.801 4.752 19108 9724 1 11 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.430 -0.001 19108 9725 1 11 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.103 0.475 19108 9726 1 11 . 1 1 145 145 ASP CB C 145 39.590 39.590 39.917 -0.327 19108 9727 1 11 . 1 1 145 145 ASP H H 145 8.868 8.868 8.033 0.835 19108 9728 1 11 . 1 1 146 146 ALA N N 146 120.102 120.102 119.141 0.961 19108 9729 1 11 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.410 0.008 19108 9730 1 11 . 1 1 146 146 ALA CA C 146 52.034 52.034 51.421 0.613 19108 9731 1 11 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.268 0.027 19108 9732 1 11 . 1 1 146 146 ALA H H 146 7.737 7.737 7.718 0.019 19108 9733 1 11 . 1 1 147 147 GLY N N 147 105.039 105.039 107.137 -2.098 19108 9734 1 11 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.461 -0.597 19108 9735 1 11 . 1 1 147 147 GLY H H 147 7.966 7.966 8.247 -0.281 19108 9736 1 11 . 1 1 148 148 ALA N N 148 124.181 124.181 121.959 2.222 19108 9737 1 11 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.505 0.184 19108 9738 1 11 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.183 0.276 19108 9739 1 11 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.424 -1.944 19108 9740 1 11 . 1 1 148 148 ALA H H 148 8.051 8.051 7.223 0.828 19108 9741 1 11 . 1 1 149 149 GLN N N 149 122.185 122.185 119.043 3.142 19108 9742 1 11 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.667 -0.228 19108 9743 1 11 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.724 0.231 19108 9744 1 11 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.717 -1.296 19108 9745 1 11 . 1 1 149 149 GLN H H 149 7.953 7.953 7.993 -0.040 19108 9746 1 11 . 1 1 150 150 VAL N N 150 127.399 127.399 120.116 7.283 19108 9747 1 11 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.890 -0.138 19108 9748 1 11 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.309 1.130 19108 9749 1 11 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.880 0.298 19108 9750 1 11 . 1 1 150 150 VAL H H 150 8.658 8.658 8.433 0.225 19108 9751 1 11 . 1 1 151 151 SER N N 151 120.616 120.616 121.624 -1.008 19108 9752 1 11 . 1 1 151 151 SER HA H 151 5.179 5.179 4.868 0.311 19108 9753 1 11 . 1 1 151 151 SER CA C 151 56.981 56.981 57.089 -0.108 19108 9754 1 11 . 1 1 151 151 SER CB C 151 66.538 66.538 66.399 0.139 19108 9755 1 11 . 1 1 151 151 SER H H 151 8.737 8.737 8.451 0.286 19108 9756 1 11 . 1 1 152 152 ILE N N 152 123.180 123.180 123.170 0.010 19108 9757 1 11 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.633 0.514 19108 9758 1 11 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.836 -4.318 19108 9759 1 11 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.798 -2.719 19108 9760 1 11 . 1 1 152 152 ILE H H 152 8.672 8.672 8.656 0.016 19108 9761 1 11 . 1 1 153 153 MET N N 153 123.477 123.477 129.399 -5.922 19108 9762 1 11 . 1 1 153 153 MET HA H 153 3.886 3.886 4.512 -0.626 19108 9763 1 11 . 1 1 153 153 MET CA C 153 59.053 59.053 56.577 2.476 19108 9764 1 11 . 1 1 153 153 MET CB C 153 34.793 34.793 33.128 1.665 19108 9765 1 11 . 1 1 153 153 MET H H 153 8.314 8.314 8.130 0.184 19108 9766 1 11 . 1 1 154 154 THR N N 154 117.621 117.621 116.916 0.705 19108 9767 1 11 . 1 1 154 154 THR HA H 154 4.951 4.951 4.547 0.404 19108 9768 1 11 . 1 1 154 154 THR CA C 154 60.436 60.436 59.426 1.010 19108 9769 1 11 . 1 1 154 154 THR CB C 154 72.370 72.370 70.714 1.656 19108 9770 1 11 . 1 1 154 154 THR H H 154 9.630 9.630 8.024 1.606 19108 9771 1 11 . 1 1 155 155 TYR N N 155 121.751 121.751 121.917 -0.166 19108 9772 1 11 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.209 -0.110 19108 9773 1 11 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.413 2.026 19108 9774 1 11 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.266 1.020 19108 9775 1 11 . 1 1 155 155 TYR H H 155 9.769 9.769 8.749 1.020 19108 9776 1 11 . 1 1 156 156 ASP N N 156 115.555 115.555 117.102 -1.547 19108 9777 1 11 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.083 0.025 19108 9778 1 11 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.080 0.180 19108 9779 1 11 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.016 0.603 19108 9780 1 11 . 1 1 156 156 ASP H H 156 8.230 8.230 8.800 -0.570 19108 9781 1 11 . 1 1 157 157 GLU N N 157 117.678 117.678 119.875 -2.197 19108 9782 1 11 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.979 -0.109 19108 9783 1 11 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.708 1.799 19108 9784 1 11 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.279 1.769 19108 9785 1 11 . 1 1 157 157 GLU H H 157 7.470 7.470 7.494 -0.024 19108 9786 1 11 . 1 1 158 158 PHE N N 158 119.869 119.869 120.546 -0.677 19108 9787 1 11 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.906 -0.077 19108 9788 1 11 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.341 1.435 19108 9789 1 11 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.341 1.566 19108 9790 1 11 . 1 1 158 158 PHE H H 158 8.077 8.077 7.746 0.331 19108 9791 1 11 . 1 1 159 159 LYS N N 159 118.859 118.859 118.919 -0.060 19108 9792 1 11 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.547 0.370 19108 9793 1 11 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.896 -0.665 19108 9794 1 11 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.299 -0.336 19108 9795 1 11 . 1 1 159 159 LYS H H 159 8.273 8.273 7.437 0.836 19108 9796 1 11 . 1 1 160 160 HIS N N 160 115.889 115.889 118.889 -3.000 19108 9797 1 11 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.353 -0.194 19108 9798 1 11 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.051 0.930 19108 9799 1 11 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.739 -1.809 19108 9800 1 11 . 1 1 160 160 HIS H H 160 7.695 7.695 7.672 0.023 19108 9801 1 11 . 1 1 161 161 CYS N N 161 118.188 118.188 118.477 -0.289 19108 9802 1 11 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.312 0.477 19108 9803 1 11 . 1 1 161 161 CYS CA C 161 63.794 63.794 61.802 1.992 19108 9804 1 11 . 1 1 161 161 CYS CB C 161 27.886 27.886 25.834 2.052 19108 9805 1 11 . 1 1 161 161 CYS H H 161 7.885 7.885 8.078 -0.193 19108 9806 1 11 . 1 1 162 162 TRP N N 162 122.741 122.741 123.308 -0.567 19108 9807 1 11 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.629 0.135 19108 9808 1 11 . 1 1 162 162 TRP CA C 162 59.717 59.717 60.164 -0.447 19108 9809 1 11 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.176 -0.583 19108 9810 1 11 . 1 1 162 162 TRP H H 162 8.040 8.040 7.807 0.233 19108 9811 1 11 . 1 1 163 163 ASP N N 163 113.796 113.796 117.413 -3.617 19108 9812 1 11 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.915 0.211 19108 9813 1 11 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.775 1.154 19108 9814 1 11 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.595 0.940 19108 9815 1 11 . 1 1 163 163 ASP H H 163 8.319 8.319 7.878 0.441 19108 9816 1 11 . 1 1 164 164 THR N N 164 112.008 112.008 113.705 -1.697 19108 9817 1 11 . 1 1 164 164 THR HA H 164 3.803 3.803 3.934 -0.131 19108 9818 1 11 . 1 1 164 164 THR CA C 164 65.164 65.164 64.972 0.193 19108 9819 1 11 . 1 1 164 164 THR CB C 164 70.171 70.171 69.004 1.167 19108 9820 1 11 . 1 1 164 164 THR H H 164 7.494 7.494 7.590 -0.096 19108 9821 1 11 . 1 1 165 165 PHE N N 165 115.079 115.079 118.151 -3.072 19108 9822 1 11 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.545 -0.010 19108 9823 1 11 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.244 0.725 19108 9824 1 11 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.473 -0.105 19108 9825 1 11 . 1 1 165 165 PHE H H 165 8.235 8.235 7.152 1.083 19108 9826 1 11 . 1 1 166 166 VAL N N 166 118.432 118.432 117.701 0.731 19108 9827 1 11 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.101 -0.076 19108 9828 1 11 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.045 0.956 19108 9829 1 11 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.084 -3.729 19108 9830 1 11 . 1 1 166 166 VAL H H 166 6.838 6.838 6.884 -0.046 19108 9831 1 11 . 1 1 167 167 ASP N N 167 126.263 126.263 124.316 1.947 19108 9832 1 11 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.524 -0.676 19108 9833 1 11 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.804 -2.175 19108 9834 1 11 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.821 -1.741 19108 9835 1 11 . 1 1 167 167 ASP H H 167 8.498 8.498 8.423 0.075 19108 9836 1 11 . 1 1 168 168 HIS N N 168 119.890 119.890 119.090 0.800 19108 9837 1 11 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.177 0.169 19108 9838 1 11 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.991 -2.416 19108 9839 1 11 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.999 2.463 19108 9840 1 11 . 1 1 168 168 HIS H H 168 6.977 6.977 7.633 -0.656 19108 9841 1 11 . 1 1 169 169 GLN N N 169 119.254 119.254 116.128 3.126 19108 9842 1 11 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.916 -0.193 19108 9843 1 11 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.583 0.187 19108 9844 1 11 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.031 -0.510 19108 9845 1 11 . 1 1 169 169 GLN H H 169 9.126 9.126 9.006 0.120 19108 9846 1 11 . 1 1 170 170 GLY N N 170 111.911 111.911 101.223 10.688 19108 9847 1 11 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.386 0.438 19108 9848 1 11 . 1 1 170 170 GLY H H 170 11.556 11.556 5.203 6.353 19108 9849 1 11 . 1 1 171 171 CYS N N 171 123.390 123.390 122.590 0.800 19108 9850 1 11 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.009 -0.293 19108 9851 1 11 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.731 2.054 19108 9852 1 11 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.532 -0.628 19108 9853 1 11 . 1 1 171 171 CYS H H 171 8.044 8.044 6.957 1.087 19108 9854 1 11 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.625 -0.007 19108 9855 1 11 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.202 -0.343 19108 9856 1 11 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.363 0.166 19108 9857 1 11 . 1 1 173 173 PHE N N 173 121.101 121.101 120.609 0.492 19108 9858 1 11 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.698 -0.042 19108 9859 1 11 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.729 -1.188 19108 9860 1 11 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.142 -0.397 19108 9861 1 11 . 1 1 173 173 PHE H H 173 8.842 8.842 8.000 0.842 19108 9862 1 11 . 1 1 174 174 GLN N N 174 129.493 129.493 124.559 4.934 19108 9863 1 11 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.246 0.071 19108 9864 1 11 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.989 -1.194 19108 9865 1 11 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.805 0.292 19108 9866 1 11 . 1 1 174 174 GLN H H 174 7.250 7.250 6.791 0.459 19108 9867 1 11 . 1 1 175 175 PRO HA H 175 2.914 2.914 4.062 -1.148 19108 9868 1 11 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.285 0.138 19108 9869 1 11 . 1 1 176 176 TRP N N 176 118.133 118.133 125.380 -7.247 19108 9870 1 11 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.790 -0.157 19108 9871 1 11 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.916 0.246 19108 9872 1 11 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.430 -0.541 19108 9873 1 11 . 1 1 176 176 TRP H H 176 5.591 5.591 7.184 -1.593 19108 9874 1 11 . 1 1 177 177 ASP N N 177 121.814 121.814 121.318 0.496 19108 9875 1 11 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.756 -0.359 19108 9876 1 11 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.784 1.388 19108 9877 1 11 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.295 0.380 19108 9878 1 11 . 1 1 177 177 ASP H H 177 8.848 8.848 8.598 0.251 19108 9879 1 11 . 1 1 178 178 GLY N N 178 111.875 111.875 108.871 3.004 19108 9880 1 11 . 1 1 178 178 GLY CA C 178 45.666 45.666 46.261 -0.595 19108 9881 1 11 . 1 1 178 178 GLY H H 178 8.987 8.987 8.079 0.908 19108 9882 1 11 . 1 1 179 179 LEU N N 179 121.470 121.470 122.191 -0.721 19108 9883 1 11 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.010 0.478 19108 9884 1 11 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.801 2.981 19108 9885 1 11 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.436 0.793 19108 9886 1 11 . 1 1 179 179 LEU H H 179 7.148 7.148 7.888 -0.740 19108 9887 1 11 . 1 1 180 180 ASP N N 180 119.476 119.476 117.597 1.879 19108 9888 1 11 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.263 0.229 19108 9889 1 11 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.517 0.422 19108 9890 1 11 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.233 0.480 19108 9891 1 11 . 1 1 180 180 ASP H H 180 8.874 8.874 8.481 0.393 19108 9892 1 11 . 1 1 181 181 GLU N N 181 122.379 122.379 119.021 3.358 19108 9893 1 11 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.107 -0.095 19108 9894 1 11 . 1 1 181 181 GLU CA C 181 59.969 59.969 58.935 1.034 19108 9895 1 11 . 1 1 181 181 GLU CB C 181 28.926 28.926 30.065 -1.139 19108 9896 1 11 . 1 1 181 181 GLU H H 181 8.712 8.712 7.928 0.784 19108 9897 1 11 . 1 1 182 182 HIS N N 182 118.572 118.572 118.849 -0.277 19108 9898 1 11 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.261 0.493 19108 9899 1 11 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.717 -0.688 19108 9900 1 11 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.619 -0.771 19108 9901 1 11 . 1 1 182 182 HIS H H 182 8.854 8.854 8.546 0.308 19108 9902 1 11 . 1 1 183 183 SER N N 183 116.329 116.329 114.500 1.829 19108 9903 1 11 . 1 1 183 183 SER HA H 183 4.554 4.554 3.848 0.706 19108 9904 1 11 . 1 1 183 183 SER CA C 183 63.604 63.604 61.550 2.054 19108 9905 1 11 . 1 1 183 183 SER CB C 183 65.216 65.216 63.256 1.960 19108 9906 1 11 . 1 1 183 183 SER H H 183 8.665 8.665 7.519 1.146 19108 9907 1 11 . 1 1 184 184 GLN N N 184 122.215 122.215 121.804 0.411 19108 9908 1 11 . 1 1 184 184 GLN HA H 184 4.247 4.247 3.879 0.368 19108 9909 1 11 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.631 0.329 19108 9910 1 11 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.513 0.422 19108 9911 1 11 . 1 1 184 184 GLN H H 184 8.714 8.714 7.668 1.046 19108 9912 1 11 . 1 1 185 185 ALA N N 185 124.432 124.432 121.838 2.594 19108 9913 1 11 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.147 0.137 19108 9914 1 11 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.813 0.656 19108 9915 1 11 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.373 0.001 19108 9916 1 11 . 1 1 185 185 ALA H H 185 8.258 8.258 8.340 -0.082 19108 9917 1 11 . 1 1 186 186 LEU N N 186 119.941 119.941 119.485 0.456 19108 9918 1 11 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.871 0.341 19108 9919 1 11 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.261 -0.045 19108 9920 1 11 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.885 0.879 19108 9921 1 11 . 1 1 186 186 LEU H H 186 8.953 8.953 7.671 1.282 19108 9922 1 11 . 1 1 187 187 SER N N 187 116.987 116.987 113.672 3.315 19108 9923 1 11 . 1 1 187 187 SER HA H 187 4.039 4.039 4.063 -0.024 19108 9924 1 11 . 1 1 187 187 SER CA C 187 63.302 63.302 62.170 1.132 19108 9925 1 11 . 1 1 187 187 SER CB C 187 62.760 62.760 62.910 -0.150 19108 9926 1 11 . 1 1 187 187 SER H H 187 8.935 8.935 8.619 0.316 19108 9927 1 11 . 1 1 188 188 GLY N N 188 110.215 110.215 109.745 0.470 19108 9928 1 11 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.103 0.051 19108 9929 1 11 . 1 1 188 188 GLY H H 188 8.228 8.228 7.596 0.632 19108 9930 1 11 . 1 1 189 189 ARG N N 189 122.994 122.994 122.180 0.814 19108 9931 1 11 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.030 0.207 19108 9932 1 11 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.966 0.593 19108 9933 1 11 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.742 0.652 19108 9934 1 11 . 1 1 189 189 ARG H H 189 7.838 7.838 7.706 0.132 19108 9935 1 11 . 1 1 190 190 LEU N N 190 119.765 119.765 120.609 -0.844 19108 9936 1 11 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.071 0.167 19108 9937 1 11 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.450 -0.231 19108 9938 1 11 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.637 -0.395 19108 9939 1 11 . 1 1 190 190 LEU H H 190 8.791 8.791 7.820 0.971 19108 9940 1 11 . 1 1 191 191 ARG N N 191 118.427 118.427 118.617 -0.190 19108 9941 1 11 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.822 0.221 19108 9942 1 11 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.478 0.304 19108 9943 1 11 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.225 -0.034 19108 9944 1 11 . 1 1 191 191 ARG H H 191 8.305 8.305 8.484 -0.179 19108 9945 1 11 . 1 1 192 192 ALA N N 192 119.414 119.414 121.314 -1.900 19108 9946 1 11 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.315 -0.098 19108 9947 1 11 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.614 0.102 19108 9948 1 11 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.416 -0.251 19108 9949 1 11 . 1 1 192 192 ALA H H 192 7.414 7.414 7.834 -0.420 19108 9950 1 11 . 1 1 193 193 ILE N N 193 118.949 118.949 118.898 0.051 19108 9951 1 11 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.912 -0.142 19108 9952 1 11 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.076 0.762 19108 9953 1 11 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.323 1.123 19108 9954 1 11 . 1 1 193 193 ILE H H 193 7.896 7.896 7.580 0.316 19108 9955 1 11 . 1 1 194 194 LEU N N 194 116.435 116.435 120.023 -3.588 19108 9956 1 11 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.314 -0.041 19108 9957 1 11 . 1 1 194 194 LEU CA C 194 55.713 55.713 54.940 0.773 19108 9958 1 11 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.813 -1.343 19108 9959 1 11 . 1 1 194 194 LEU H H 194 8.296 8.296 8.351 -0.055 19108 9960 1 11 . 1 1 195 195 GLN N N 195 118.580 118.580 118.509 0.071 19108 9961 1 11 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.960 0.375 19108 9962 1 11 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.248 -1.831 19108 9963 1 11 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.183 0.415 19108 9964 1 11 . 1 1 195 195 GLN H H 195 7.921 7.921 7.877 0.044 19108 9965 1 11 . 1 1 196 196 ASN N N 196 118.941 118.941 116.722 2.219 19108 9966 1 11 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.498 0.204 19108 9967 1 11 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.856 -1.406 19108 9968 1 11 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.834 -0.009 19108 9969 1 11 . 1 1 196 196 ASN H H 196 8.078 8.078 7.756 0.322 19108 9970 1 11 . 1 1 197 197 GLN N N 197 120.984 120.984 119.805 1.179 19108 9971 1 11 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.531 -0.175 19108 9972 1 11 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.426 0.740 19108 9973 1 11 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.389 0.107 19108 9974 1 11 . 1 1 197 197 GLN H H 197 8.526 8.526 7.848 0.678 19108 9975 1 11 . 1 1 198 198 GLY N N 198 109.565 109.565 113.526 -3.961 19108 9976 1 11 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.273 0.111 19108 9977 1 11 . 1 1 198 198 GLY H H 198 8.467 8.467 8.139 0.328 19108 9978 1 12 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.871 -0.497 19108 9979 1 12 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.278 0.070 19108 9980 1 12 . 1 1 2 2 GLU CB C 2 30.453 30.453 31.120 -0.667 19108 9981 1 12 . 1 1 3 3 ALA N N 3 125.932 125.932 123.758 2.174 19108 9982 1 12 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.689 -0.339 19108 9983 1 12 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.994 0.413 19108 9984 1 12 . 1 1 3 3 ALA CB C 3 19.580 19.580 20.677 -1.097 19108 9985 1 12 . 1 1 3 3 ALA H H 3 8.526 8.526 8.242 0.284 19108 9986 1 12 . 1 1 4 4 SER N N 4 116.729 116.729 113.507 3.222 19108 9987 1 12 . 1 1 4 4 SER HA H 4 4.766 4.766 4.192 0.574 19108 9988 1 12 . 1 1 4 4 SER CA C 4 56.283 56.283 58.234 -1.951 19108 9989 1 12 . 1 1 4 4 SER CB C 4 63.278 63.278 62.075 1.203 19108 9990 1 12 . 1 1 4 4 SER H H 4 8.397 8.397 8.689 -0.292 19108 9991 1 12 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.359 0.087 19108 9992 1 12 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.974 0.332 19108 9993 1 12 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.439 0.658 19108 9994 1 12 . 1 1 6 6 ALA N N 6 124.236 124.236 127.361 -3.125 19108 9995 1 12 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.038 0.295 19108 9996 1 12 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.844 -0.281 19108 9997 1 12 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.563 0.771 19108 9998 1 12 . 1 1 6 6 ALA H H 6 8.411 8.411 8.276 0.135 19108 9999 1 12 . 1 1 7 7 SER N N 7 114.497 114.497 115.363 -0.866 19108 10000 1 12 . 1 1 7 7 SER HA H 7 4.475 4.475 4.401 0.074 19108 10001 1 12 . 1 1 7 7 SER CA C 7 58.258 58.258 59.026 -0.768 19108 10002 1 12 . 1 1 7 7 SER CB C 7 64.174 64.174 63.513 0.661 19108 10003 1 12 . 1 1 7 7 SER H H 7 8.195 8.195 8.579 -0.384 19108 10004 1 12 . 1 1 8 8 GLY N N 8 110.497 110.497 110.271 0.226 19108 10005 1 12 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.597 0.249 19108 10006 1 12 . 1 1 8 8 GLY H H 8 8.226 8.226 8.405 -0.179 19108 10007 1 12 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.495 -0.046 19108 10008 1 12 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.548 0.886 19108 10009 1 12 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.273 -0.080 19108 10010 1 12 . 1 1 10 10 ARG N N 10 120.534 120.534 124.391 -3.857 19108 10011 1 12 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.501 -0.160 19108 10012 1 12 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.519 1.497 19108 10013 1 12 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.061 0.748 19108 10014 1 12 . 1 1 10 10 ARG H H 10 8.469 8.469 8.540 -0.071 19108 10015 1 12 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.368 0.457 19108 10016 1 12 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.967 -0.506 19108 10017 1 12 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.395 -0.204 19108 10018 1 12 . 1 1 12 12 LEU N N 12 122.284 122.284 121.283 1.001 19108 10019 1 12 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.912 0.697 19108 10020 1 12 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.619 1.411 19108 10021 1 12 . 1 1 12 12 LEU H H 12 8.250 8.250 8.013 0.237 19108 10022 1 12 . 1 1 13 13 MET N N 13 121.493 121.493 118.020 3.473 19108 10023 1 12 . 1 1 13 13 MET HA H 13 4.038 4.038 4.678 -0.640 19108 10024 1 12 . 1 1 13 13 MET CA C 13 54.449 54.449 54.916 -0.467 19108 10025 1 12 . 1 1 13 13 MET CB C 13 35.015 35.015 34.520 0.495 19108 10026 1 12 . 1 1 13 13 MET H H 13 8.955 8.955 8.141 0.814 19108 10027 1 12 . 1 1 14 14 ASP N N 14 127.113 127.113 120.342 6.771 19108 10028 1 12 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.704 -0.604 19108 10029 1 12 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.271 -0.815 19108 10030 1 12 . 1 1 14 14 ASP CB C 14 42.510 42.510 42.161 0.349 19108 10031 1 12 . 1 1 14 14 ASP H H 14 8.514 8.514 8.570 -0.056 19108 10032 1 12 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.092 -0.239 19108 10033 1 12 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.138 0.516 19108 10034 1 12 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.121 -0.470 19108 10035 1 12 . 1 1 16 16 HIS N N 16 115.776 115.776 116.021 -0.245 19108 10036 1 12 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.375 -0.097 19108 10037 1 12 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.100 -1.182 19108 10038 1 12 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.799 -0.591 19108 10039 1 12 . 1 1 16 16 HIS H H 16 8.591 8.591 8.414 0.177 19108 10040 1 12 . 1 1 17 17 ILE N N 17 122.675 122.675 119.148 3.527 19108 10041 1 12 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.723 -0.239 19108 10042 1 12 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.772 -1.546 19108 10043 1 12 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.029 -0.932 19108 10044 1 12 . 1 1 17 17 ILE H H 17 7.558 7.558 8.155 -0.598 19108 10045 1 12 . 1 1 18 18 PHE N N 18 120.513 120.513 120.348 0.165 19108 10046 1 12 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.171 -0.168 19108 10047 1 12 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.674 1.130 19108 10048 1 12 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.556 0.084 19108 10049 1 12 . 1 1 18 18 PHE H H 18 7.831 7.831 8.075 -0.244 19108 10050 1 12 . 1 1 19 19 THR N N 19 114.555 114.555 116.146 -1.591 19108 10051 1 12 . 1 1 19 19 THR HA H 19 3.657 3.657 4.060 -0.403 19108 10052 1 12 . 1 1 19 19 THR CA C 19 66.485 66.485 66.464 0.021 19108 10053 1 12 . 1 1 19 19 THR CB C 19 68.345 68.345 68.522 -0.177 19108 10054 1 12 . 1 1 19 19 THR H H 19 9.036 9.036 8.300 0.736 19108 10055 1 12 . 1 1 20 20 SER N N 20 113.030 113.030 117.598 -4.568 19108 10056 1 12 . 1 1 20 20 SER HA H 20 4.062 4.062 3.950 0.112 19108 10057 1 12 . 1 1 20 20 SER CA C 20 60.610 60.610 61.562 -0.952 19108 10058 1 12 . 1 1 20 20 SER CB C 20 63.843 63.843 62.858 0.986 19108 10059 1 12 . 1 1 20 20 SER H H 20 7.809 7.809 8.361 -0.552 19108 10060 1 12 . 1 1 21 21 ASN N N 21 115.629 115.629 117.907 -2.278 19108 10061 1 12 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.193 0.218 19108 10062 1 12 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.950 2.038 19108 10063 1 12 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.151 3.429 19108 10064 1 12 . 1 1 21 21 ASN H H 21 7.362 7.362 7.615 -0.253 19108 10065 1 12 . 1 1 22 22 PHE N N 22 117.773 117.773 113.750 4.023 19108 10066 1 12 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.591 -0.318 19108 10067 1 12 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.556 -0.096 19108 10068 1 12 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.959 -1.129 19108 10069 1 12 . 1 1 22 22 PHE H H 22 8.296 8.296 7.533 0.763 19108 10070 1 12 . 1 1 23 23 ASN N N 23 115.026 115.026 122.085 -7.059 19108 10071 1 12 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.475 0.054 19108 10072 1 12 . 1 1 23 23 ASN CA C 23 53.642 53.642 51.952 1.690 19108 10073 1 12 . 1 1 23 23 ASN CB C 23 36.623 36.623 37.661 -1.038 19108 10074 1 12 . 1 1 23 23 ASN H H 23 6.097 6.097 7.755 -1.658 19108 10075 1 12 . 1 1 24 24 ASN N N 24 122.900 122.900 119.710 3.190 19108 10076 1 12 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.298 0.135 19108 10077 1 12 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.295 -1.022 19108 10078 1 12 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.914 -0.022 19108 10079 1 12 . 1 1 24 24 ASN H H 24 7.083 7.083 7.780 -0.697 19108 10080 1 12 . 1 1 25 25 GLY N N 25 105.587 105.587 108.500 -2.913 19108 10081 1 12 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.515 0.350 19108 10082 1 12 . 1 1 25 25 GLY H H 25 8.520 8.520 7.882 0.638 19108 10083 1 12 . 1 1 26 26 ILE N N 26 120.182 120.182 115.238 4.944 19108 10084 1 12 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.684 -0.510 19108 10085 1 12 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.474 0.969 19108 10086 1 12 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.983 1.532 19108 10087 1 12 . 1 1 26 26 ILE H H 26 6.944 6.944 7.801 -0.857 19108 10088 1 12 . 1 1 27 27 GLY N N 27 111.665 111.665 107.609 4.056 19108 10089 1 12 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.280 0.039 19108 10090 1 12 . 1 1 27 27 GLY H H 27 8.457 8.457 8.629 -0.172 19108 10091 1 12 . 1 1 28 28 ARG N N 28 117.565 117.565 119.331 -1.766 19108 10092 1 12 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.454 -1.889 19108 10093 1 12 . 1 1 28 28 ARG H H 28 6.741 6.741 8.734 -1.993 19108 10094 1 12 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.349 1.654 19108 10095 1 12 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.536 -0.492 19108 10096 1 12 . 1 1 29 29 HIS H H 29 8.636 8.636 8.268 0.368 19108 10097 1 12 . 1 1 30 30 LYS N N 30 119.344 119.344 118.881 0.463 19108 10098 1 12 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.276 0.145 19108 10099 1 12 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.751 1.113 19108 10100 1 12 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.248 1.944 19108 10101 1 12 . 1 1 30 30 LYS H H 30 7.870 7.870 7.607 0.263 19108 10102 1 12 . 1 1 31 31 THR N N 31 118.233 118.233 111.965 6.268 19108 10103 1 12 . 1 1 31 31 THR HA H 31 4.125 4.125 3.545 0.580 19108 10104 1 12 . 1 1 31 31 THR CA C 31 63.175 63.175 63.018 0.157 19108 10105 1 12 . 1 1 31 31 THR H H 31 8.436 8.436 7.129 1.307 19108 10106 1 12 . 1 1 32 32 TYR N N 32 124.026 124.026 126.197 -2.171 19108 10107 1 12 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.074 -0.139 19108 10108 1 12 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.565 -0.064 19108 10109 1 12 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.365 2.039 19108 10110 1 12 . 1 1 32 32 TYR H H 32 8.244 8.244 8.964 -0.720 19108 10111 1 12 . 1 1 33 33 LEU N N 33 125.428 125.428 124.190 1.238 19108 10112 1 12 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.287 -0.208 19108 10113 1 12 . 1 1 33 33 LEU CA C 33 54.838 54.838 54.094 0.744 19108 10114 1 12 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.183 1.801 19108 10115 1 12 . 1 1 33 33 LEU H H 33 9.232 9.232 8.404 0.828 19108 10116 1 12 . 1 1 34 34 CYS N N 34 125.975 125.975 128.195 -2.220 19108 10117 1 12 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.834 0.172 19108 10118 1 12 . 1 1 34 34 CYS CA C 34 57.145 57.145 58.260 -1.115 19108 10119 1 12 . 1 1 34 34 CYS CB C 34 28.302 28.302 28.140 0.162 19108 10120 1 12 . 1 1 34 34 CYS H H 34 9.640 9.640 9.044 0.596 19108 10121 1 12 . 1 1 35 35 TYR N N 35 121.183 121.183 125.449 -4.266 19108 10122 1 12 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.440 1.048 19108 10123 1 12 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.224 -0.442 19108 10124 1 12 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.659 2.431 19108 10125 1 12 . 1 1 35 35 TYR H H 35 9.094 9.094 8.469 0.625 19108 10126 1 12 . 1 1 36 36 GLU N N 36 115.538 115.538 122.765 -7.227 19108 10127 1 12 . 1 1 36 36 GLU HA H 36 5.435 5.435 5.052 0.383 19108 10128 1 12 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.557 0.834 19108 10129 1 12 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.365 0.179 19108 10130 1 12 . 1 1 36 36 GLU H H 36 8.977 8.977 8.603 0.374 19108 10131 1 12 . 1 1 37 37 VAL N N 37 121.600 121.600 126.701 -5.101 19108 10132 1 12 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.534 0.625 19108 10133 1 12 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.347 -0.299 19108 10134 1 12 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.107 1.963 19108 10135 1 12 . 1 1 37 37 VAL H H 37 9.271 9.271 9.012 0.259 19108 10136 1 12 . 1 1 38 38 GLU N N 38 125.227 125.227 127.069 -1.842 19108 10137 1 12 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.121 0.097 19108 10138 1 12 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.910 -0.658 19108 10139 1 12 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.267 0.660 19108 10140 1 12 . 1 1 38 38 GLU H H 38 9.114 9.114 8.443 0.671 19108 10141 1 12 . 1 1 39 39 ARG N N 39 124.872 124.872 121.605 3.267 19108 10142 1 12 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.778 0.587 19108 10143 1 12 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.039 0.208 19108 10144 1 12 . 1 1 39 39 ARG CB C 39 32.565 32.565 33.553 -0.988 19108 10145 1 12 . 1 1 39 39 ARG H H 39 9.215 9.215 8.346 0.869 19108 10146 1 12 . 1 1 40 40 LEU N N 40 126.510 126.510 127.853 -1.343 19108 10147 1 12 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.559 0.194 19108 10148 1 12 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.145 0.178 19108 10149 1 12 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.734 -1.891 19108 10150 1 12 . 1 1 40 40 LEU H H 40 8.659 8.659 8.069 0.590 19108 10151 1 12 . 1 1 41 41 ASP N N 41 124.410 124.410 127.349 -2.939 19108 10152 1 12 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.653 0.140 19108 10153 1 12 . 1 1 41 41 ASP CA C 41 53.218 53.218 52.573 0.645 19108 10154 1 12 . 1 1 41 41 ASP CB C 41 41.733 41.733 41.319 0.414 19108 10155 1 12 . 1 1 41 41 ASP H H 41 8.575 8.575 8.699 -0.124 19108 10156 1 12 . 1 1 42 42 ASN N N 42 123.319 123.319 124.789 -1.470 19108 10157 1 12 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.355 0.065 19108 10158 1 12 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.368 0.805 19108 10159 1 12 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.876 -0.029 19108 10160 1 12 . 1 1 42 42 ASN H H 42 9.048 9.048 8.699 0.349 19108 10161 1 12 . 1 1 43 43 GLY N N 43 106.044 106.044 103.393 2.651 19108 10162 1 12 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.281 0.113 19108 10163 1 12 . 1 1 43 43 GLY H H 43 8.548 8.548 8.349 0.199 19108 10164 1 12 . 1 1 44 44 THR N N 44 115.893 115.893 121.379 -5.486 19108 10165 1 12 . 1 1 44 44 THR HA H 44 4.524 4.524 4.194 0.330 19108 10166 1 12 . 1 1 44 44 THR CA C 44 61.285 61.285 62.908 -1.623 19108 10167 1 12 . 1 1 44 44 THR CB C 44 70.572 70.572 68.396 2.176 19108 10168 1 12 . 1 1 44 44 THR H H 44 7.833 7.833 7.857 -0.024 19108 10169 1 12 . 1 1 45 45 SER N N 45 119.589 119.589 123.343 -3.754 19108 10170 1 12 . 1 1 45 45 SER HA H 45 4.804 4.804 5.232 -0.428 19108 10171 1 12 . 1 1 45 45 SER CA C 45 58.080 58.080 57.441 0.639 19108 10172 1 12 . 1 1 45 45 SER CB C 45 64.265 64.265 63.914 0.350 19108 10173 1 12 . 1 1 45 45 SER H H 45 8.590 8.590 8.210 0.380 19108 10174 1 12 . 1 1 46 46 VAL N N 46 125.827 125.827 122.465 3.362 19108 10175 1 12 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.419 -0.126 19108 10176 1 12 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.745 1.098 19108 10177 1 12 . 1 1 46 46 VAL CB C 46 33.517 33.517 34.529 -1.012 19108 10178 1 12 . 1 1 46 46 VAL H H 46 9.034 9.034 8.365 0.669 19108 10179 1 12 . 1 1 47 47 LYS N N 47 126.528 126.528 126.060 0.468 19108 10180 1 12 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.474 -0.189 19108 10181 1 12 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.812 1.853 19108 10182 1 12 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.920 -0.128 19108 10183 1 12 . 1 1 47 47 LYS H H 47 8.738 8.738 8.393 0.345 19108 10184 1 12 . 1 1 48 48 MET N N 48 122.645 122.645 122.719 -0.074 19108 10185 1 12 . 1 1 48 48 MET HA H 48 5.195 5.195 4.608 0.587 19108 10186 1 12 . 1 1 48 48 MET CA C 48 54.747 54.747 55.930 -1.183 19108 10187 1 12 . 1 1 48 48 MET CB C 48 32.379 32.379 33.543 -1.164 19108 10188 1 12 . 1 1 48 48 MET H H 48 8.334 8.334 8.284 0.050 19108 10189 1 12 . 1 1 49 49 ASP N N 49 123.713 123.713 118.063 5.650 19108 10190 1 12 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.572 -0.148 19108 10191 1 12 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.878 0.732 19108 10192 1 12 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.130 -0.096 19108 10193 1 12 . 1 1 49 49 ASP H H 49 8.575 8.575 8.759 -0.184 19108 10194 1 12 . 1 1 50 50 GLN N N 50 117.540 117.540 118.545 -1.005 19108 10195 1 12 . 1 1 50 50 GLN H H 50 9.110 9.110 8.280 0.830 19108 10196 1 12 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.740 0.411 19108 10197 1 12 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.440 -1.605 19108 10198 1 12 . 1 1 51 51 HIS H H 51 8.031 8.031 8.504 -0.473 19108 10199 1 12 . 1 1 52 52 ARG N N 52 117.888 117.888 119.752 -1.864 19108 10200 1 12 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.783 0.454 19108 10201 1 12 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.699 0.356 19108 10202 1 12 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.863 0.191 19108 10203 1 12 . 1 1 52 52 ARG H H 52 7.685 7.685 7.646 0.039 19108 10204 1 12 . 1 1 53 53 GLY N N 53 108.573 108.573 106.878 1.695 19108 10205 1 12 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.247 0.461 19108 10206 1 12 . 1 1 53 53 GLY H H 53 7.529 7.529 7.564 -0.035 19108 10207 1 12 . 1 1 54 54 PHE N N 54 113.146 113.146 115.930 -2.784 19108 10208 1 12 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.741 0.254 19108 10209 1 12 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.394 0.462 19108 10210 1 12 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.238 2.125 19108 10211 1 12 . 1 1 54 54 PHE H H 54 8.287 8.287 7.637 0.650 19108 10212 1 12 . 1 1 55 55 LEU N N 55 119.389 119.389 119.311 0.078 19108 10213 1 12 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.510 0.185 19108 10214 1 12 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.401 0.311 19108 10215 1 12 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.363 0.265 19108 10216 1 12 . 1 1 55 55 LEU H H 55 9.452 9.452 8.985 0.467 19108 10217 1 12 . 1 1 56 56 HIS N N 56 114.176 114.176 115.094 -0.918 19108 10218 1 12 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.186 0.253 19108 10219 1 12 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.323 0.142 19108 10220 1 12 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.884 -1.417 19108 10221 1 12 . 1 1 56 56 HIS H H 56 7.709 7.709 7.443 0.266 19108 10222 1 12 . 1 1 57 57 ASN N N 57 116.522 116.522 118.737 -2.215 19108 10223 1 12 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.525 -0.110 19108 10224 1 12 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.798 1.386 19108 10225 1 12 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.071 -0.409 19108 10226 1 12 . 1 1 57 57 ASN H H 57 8.684 8.684 8.074 0.610 19108 10227 1 12 . 1 1 58 58 GLN N N 58 122.850 122.850 116.493 6.357 19108 10228 1 12 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.919 0.470 19108 10229 1 12 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.132 -2.279 19108 10230 1 12 . 1 1 58 58 GLN CB C 58 30.382 30.382 27.511 2.871 19108 10231 1 12 . 1 1 58 58 GLN H H 58 9.099 9.099 8.593 0.506 19108 10232 1 12 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.491 -0.191 19108 10233 1 12 . 1 1 59 59 ALA CA C 59 52.504 52.504 50.521 1.983 19108 10234 1 12 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.186 0.235 19108 10235 1 12 . 1 1 60 60 LYS N N 60 119.998 119.998 123.783 -3.785 19108 10236 1 12 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.103 -0.327 19108 10237 1 12 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.111 -0.810 19108 10238 1 12 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.334 0.482 19108 10239 1 12 . 1 1 60 60 LYS H H 60 8.344 8.344 8.487 -0.143 19108 10240 1 12 . 1 1 61 61 ASN N N 61 119.688 119.688 121.763 -2.075 19108 10241 1 12 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.834 -0.379 19108 10242 1 12 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.571 0.333 19108 10243 1 12 . 1 1 61 61 ASN CB C 61 38.537 38.537 41.304 -2.767 19108 10244 1 12 . 1 1 61 61 ASN H H 61 8.643 8.643 8.240 0.403 19108 10245 1 12 . 1 1 62 62 LEU N N 62 124.761 124.761 123.261 1.500 19108 10246 1 12 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.397 -0.463 19108 10247 1 12 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.602 1.643 19108 10248 1 12 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.643 -0.700 19108 10249 1 12 . 1 1 62 62 LEU H H 62 8.873 8.873 8.724 0.149 19108 10250 1 12 . 1 1 63 63 LEU N N 63 120.312 120.312 119.267 1.045 19108 10251 1 12 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.099 0.100 19108 10252 1 12 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.538 -0.461 19108 10253 1 12 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.837 -0.580 19108 10254 1 12 . 1 1 63 63 LEU H H 63 8.145 8.145 7.909 0.236 19108 10255 1 12 . 1 1 64 64 CYS N N 64 113.898 113.898 117.397 -3.499 19108 10256 1 12 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.567 -0.396 19108 10257 1 12 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.427 -0.643 19108 10258 1 12 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.520 -0.801 19108 10259 1 12 . 1 1 64 64 CYS H H 64 7.376 7.376 8.308 -0.932 19108 10260 1 12 . 1 1 65 65 GLY N N 65 108.894 108.894 109.899 -1.005 19108 10261 1 12 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.021 0.962 19108 10262 1 12 . 1 1 65 65 GLY H H 65 7.789 7.789 7.930 -0.141 19108 10263 1 12 . 1 1 66 66 PHE N N 66 118.711 118.711 118.246 0.465 19108 10264 1 12 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.655 -0.738 19108 10265 1 12 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.033 -2.093 19108 10266 1 12 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.529 0.740 19108 10267 1 12 . 1 1 66 66 PHE H H 66 7.699 7.699 7.266 0.433 19108 10268 1 12 . 1 1 67 67 TYR N N 67 124.623 124.623 124.275 0.348 19108 10269 1 12 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.253 0.047 19108 10270 1 12 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.088 1.676 19108 10271 1 12 . 1 1 67 67 TYR CB C 67 38.153 38.153 40.340 -2.187 19108 10272 1 12 . 1 1 67 67 TYR H H 67 8.568 8.568 8.371 0.197 19108 10273 1 12 . 1 1 69 69 ARG N N 69 121.427 121.427 119.300 2.127 19108 10274 1 12 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.367 2.690 19108 10275 1 12 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.609 -1.313 19108 10276 1 12 . 1 1 69 69 ARG H H 69 8.313 8.313 7.947 0.366 19108 10277 1 12 . 1 1 70 70 HIS N N 70 128.351 128.351 119.421 8.930 19108 10278 1 12 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.453 0.329 19108 10279 1 12 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.104 0.612 19108 10280 1 12 . 1 1 70 70 HIS CB C 70 31.776 31.776 29.996 1.780 19108 10281 1 12 . 1 1 70 70 HIS H H 70 9.182 9.182 8.247 0.935 19108 10282 1 12 . 1 1 71 71 ALA N N 71 125.649 125.649 122.878 2.771 19108 10283 1 12 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.069 -0.712 19108 10284 1 12 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.931 0.851 19108 10285 1 12 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.953 -0.943 19108 10286 1 12 . 1 1 71 71 ALA H H 71 8.968 8.968 8.970 -0.002 19108 10287 1 12 . 1 1 72 72 GLU N N 72 119.941 119.941 118.922 1.019 19108 10288 1 12 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.693 -0.716 19108 10289 1 12 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.194 1.762 19108 10290 1 12 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.959 -0.953 19108 10291 1 12 . 1 1 72 72 GLU H H 72 12.692 12.692 8.545 4.147 19108 10292 1 12 . 1 1 73 73 LEU N N 73 114.882 114.882 119.318 -4.436 19108 10293 1 12 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.131 -0.546 19108 10294 1 12 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.334 -1.673 19108 10295 1 12 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.514 -2.269 19108 10296 1 12 . 1 1 73 73 LEU H H 73 6.637 6.637 7.991 -1.354 19108 10297 1 12 . 1 1 74 74 ARG N N 74 117.799 117.799 119.625 -1.826 19108 10298 1 12 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.104 -0.062 19108 10299 1 12 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.024 -0.849 19108 10300 1 12 . 1 1 74 74 ARG H H 74 7.556 7.556 7.469 0.087 19108 10301 1 12 . 1 1 75 75 PHE N N 75 119.783 119.783 119.801 -0.018 19108 10302 1 12 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.088 -0.527 19108 10303 1 12 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.800 0.874 19108 10304 1 12 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.005 -0.967 19108 10305 1 12 . 1 1 75 75 PHE H H 75 8.233 8.233 8.034 0.199 19108 10306 1 12 . 1 1 76 76 LEU N N 76 119.526 119.526 119.641 -0.115 19108 10307 1 12 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.621 -0.063 19108 10308 1 12 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.054 0.985 19108 10309 1 12 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.865 -2.849 19108 10310 1 12 . 1 1 76 76 LEU H H 76 7.629 7.629 7.939 -0.310 19108 10311 1 12 . 1 1 77 77 ASP N N 77 118.215 118.215 118.577 -0.362 19108 10312 1 12 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.365 -0.207 19108 10313 1 12 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.634 -0.234 19108 10314 1 12 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.041 -0.673 19108 10315 1 12 . 1 1 77 77 ASP H H 77 8.190 8.190 7.670 0.520 19108 10316 1 12 . 1 1 78 78 LEU N N 78 117.496 117.496 114.547 2.949 19108 10317 1 12 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.449 -0.159 19108 10318 1 12 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.758 -0.773 19108 10319 1 12 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.967 0.434 19108 10320 1 12 . 1 1 78 78 LEU H H 78 7.252 7.252 7.241 0.011 19108 10321 1 12 . 1 1 79 79 VAL N N 79 120.915 120.915 122.600 -1.685 19108 10322 1 12 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.392 -0.169 19108 10323 1 12 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.461 0.067 19108 10324 1 12 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.951 0.170 19108 10325 1 12 . 1 1 79 79 VAL H H 79 7.179 7.179 7.069 0.110 19108 10326 1 12 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.376 -0.401 19108 10327 1 12 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.706 1.081 19108 10328 1 12 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.734 -0.926 19108 10329 1 12 . 1 1 81 81 SER N N 81 112.727 112.727 114.588 -1.861 19108 10330 1 12 . 1 1 81 81 SER HA H 81 4.314 4.314 4.268 0.046 19108 10331 1 12 . 1 1 81 81 SER CA C 81 60.618 60.618 60.649 -0.031 19108 10332 1 12 . 1 1 81 81 SER CB C 81 63.450 63.450 62.898 0.552 19108 10333 1 12 . 1 1 81 81 SER H H 81 7.828 7.828 7.647 0.181 19108 10334 1 12 . 1 1 82 82 LEU N N 82 120.918 120.918 119.788 1.130 19108 10335 1 12 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.451 -0.577 19108 10336 1 12 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.071 0.421 19108 10337 1 12 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.671 -2.460 19108 10338 1 12 . 1 1 82 82 LEU H H 82 7.912 7.912 7.689 0.223 19108 10339 1 12 . 1 1 83 83 GLN N N 83 111.397 111.397 116.434 -5.037 19108 10340 1 12 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.004 -0.196 19108 10341 1 12 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.407 -0.241 19108 10342 1 12 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.185 0.483 19108 10343 1 12 . 1 1 83 83 GLN H H 83 7.458 7.458 7.604 -0.146 19108 10344 1 12 . 1 1 84 84 LEU N N 84 118.520 118.520 119.444 -0.924 19108 10345 1 12 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.115 -0.396 19108 10346 1 12 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.510 -0.768 19108 10347 1 12 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.204 -2.959 19108 10348 1 12 . 1 1 84 84 LEU H H 84 8.736 8.736 8.028 0.708 19108 10349 1 12 . 1 1 85 85 ASP N N 85 126.187 126.187 123.387 2.800 19108 10350 1 12 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.862 0.021 19108 10351 1 12 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.806 -0.460 19108 10352 1 12 . 1 1 85 85 ASP CB C 85 42.948 42.948 40.994 1.954 19108 10353 1 12 . 1 1 85 85 ASP H H 85 8.415 8.415 8.357 0.058 19108 10354 1 12 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.950 -0.022 19108 10355 1 12 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.464 0.174 19108 10356 1 12 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.009 -0.723 19108 10357 1 12 . 1 1 87 87 ALA N N 87 121.030 121.030 122.238 -1.208 19108 10358 1 12 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.081 0.337 19108 10359 1 12 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.005 -1.833 19108 10360 1 12 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.673 0.675 19108 10361 1 12 . 1 1 87 87 ALA H H 87 8.504 8.504 7.907 0.597 19108 10362 1 12 . 1 1 88 88 GLN N N 88 119.601 119.601 116.435 3.166 19108 10363 1 12 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.383 0.139 19108 10364 1 12 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.491 -1.057 19108 10365 1 12 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.859 -0.810 19108 10366 1 12 . 1 1 88 88 GLN H H 88 8.125 8.125 7.910 0.215 19108 10367 1 12 . 1 1 89 89 ILE N N 89 118.195 118.195 117.735 0.460 19108 10368 1 12 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.859 0.110 19108 10369 1 12 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.044 -0.503 19108 10370 1 12 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.802 -0.550 19108 10371 1 12 . 1 1 89 89 ILE H H 89 8.099 8.099 8.446 -0.347 19108 10372 1 12 . 1 1 90 90 TYR N N 90 122.421 122.421 122.492 -0.071 19108 10373 1 12 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.219 0.142 19108 10374 1 12 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.439 -0.399 19108 10375 1 12 . 1 1 90 90 TYR CB C 90 42.826 42.826 42.337 0.489 19108 10376 1 12 . 1 1 90 90 TYR H H 90 8.892 8.892 8.300 0.592 19108 10377 1 12 . 1 1 91 91 ARG N N 91 121.043 121.043 124.651 -3.608 19108 10378 1 12 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.573 0.670 19108 10379 1 12 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.483 -0.948 19108 10380 1 12 . 1 1 91 91 ARG CB C 91 33.132 33.132 31.212 1.920 19108 10381 1 12 . 1 1 91 91 ARG H H 91 9.327 9.327 8.511 0.816 19108 10382 1 12 . 1 1 92 92 VAL N N 92 132.287 132.287 130.430 1.857 19108 10383 1 12 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.881 0.043 19108 10384 1 12 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.961 -1.056 19108 10385 1 12 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.186 0.667 19108 10386 1 12 . 1 1 92 92 VAL H H 92 9.668 9.668 8.948 0.720 19108 10387 1 12 . 1 1 93 93 THR N N 93 124.468 124.468 124.642 -0.174 19108 10388 1 12 . 1 1 93 93 THR HA H 93 5.264 5.264 4.591 0.673 19108 10389 1 12 . 1 1 93 93 THR CA C 93 61.616 61.616 62.195 -0.579 19108 10390 1 12 . 1 1 93 93 THR CB C 93 70.082 70.082 69.642 0.439 19108 10391 1 12 . 1 1 93 93 THR H H 93 9.381 9.381 8.751 0.630 19108 10392 1 12 . 1 1 94 94 TRP N N 94 124.491 124.491 127.534 -3.043 19108 10393 1 12 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.960 0.706 19108 10394 1 12 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.940 -2.735 19108 10395 1 12 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.071 2.597 19108 10396 1 12 . 1 1 94 94 TRP H H 94 9.071 9.071 9.125 -0.054 19108 10397 1 12 . 1 1 95 95 PHE N N 95 122.179 122.179 122.688 -0.509 19108 10398 1 12 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.039 0.631 19108 10399 1 12 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.268 -0.494 19108 10400 1 12 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.148 -0.699 19108 10401 1 12 . 1 1 95 95 PHE H H 95 9.578 9.578 8.487 1.091 19108 10402 1 12 . 1 1 96 96 ILE N N 96 125.072 125.072 121.862 3.210 19108 10403 1 12 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.323 0.650 19108 10404 1 12 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.715 -1.288 19108 10405 1 12 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.773 4.300 19108 10406 1 12 . 1 1 96 96 ILE H H 96 9.816 9.816 9.304 0.512 19108 10407 1 12 . 1 1 97 97 SER N N 97 124.020 124.020 118.011 6.009 19108 10408 1 12 . 1 1 97 97 SER HA H 97 3.623 3.623 4.947 -1.324 19108 10409 1 12 . 1 1 97 97 SER CA C 97 61.750 61.750 59.886 1.864 19108 10410 1 12 . 1 1 97 97 SER CB C 97 63.711 63.711 64.341 -0.630 19108 10411 1 12 . 1 1 97 97 SER H H 97 9.156 9.156 8.578 0.578 19108 10412 1 12 . 1 1 98 98 TRP N N 98 114.829 114.829 121.806 -6.977 19108 10413 1 12 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.236 0.103 19108 10414 1 12 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.053 -2.382 19108 10415 1 12 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.197 3.554 19108 10416 1 12 . 1 1 98 98 TRP H H 98 6.619 6.619 7.928 -1.309 19108 10417 1 12 . 1 1 99 99 SER N N 99 115.444 115.444 119.190 -3.746 19108 10418 1 12 . 1 1 99 99 SER CA C 99 58.045 58.045 57.754 0.291 19108 10419 1 12 . 1 1 99 99 SER CB C 99 61.927 61.927 63.489 -1.562 19108 10420 1 12 . 1 1 99 99 SER H H 99 8.590 8.590 8.268 0.322 19108 10421 1 12 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.153 -1.228 19108 10422 1 12 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.573 2.223 19108 10423 1 12 . 1 1 101 101 CYS N N 101 121.768 121.768 115.671 6.097 19108 10424 1 12 . 1 1 101 101 CYS CA C 101 58.659 58.659 59.113 -0.454 19108 10425 1 12 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.318 0.871 19108 10426 1 12 . 1 1 101 101 CYS H H 101 8.686 8.686 8.170 0.516 19108 10427 1 12 . 1 1 102 102 PHE N N 102 115.031 115.031 123.055 -8.024 19108 10428 1 12 . 1 1 102 102 PHE CA C 102 58.960 58.960 54.982 3.978 19108 10429 1 12 . 1 1 102 102 PHE CB C 102 40.157 40.157 41.618 -1.461 19108 10430 1 12 . 1 1 102 102 PHE H H 102 9.318 9.318 8.002 1.316 19108 10431 1 12 . 1 1 103 103 SER N N 103 119.552 119.552 123.340 -3.788 19108 10432 1 12 . 1 1 103 103 SER HA H 103 3.713 3.713 4.215 -0.502 19108 10433 1 12 . 1 1 103 103 SER CA C 103 63.368 63.368 61.928 1.440 19108 10434 1 12 . 1 1 103 103 SER CB C 103 60.539 60.539 63.063 -2.524 19108 10435 1 12 . 1 1 103 103 SER H H 103 10.858 10.858 9.021 1.837 19108 10436 1 12 . 1 1 104 104 TRP N N 104 117.909 117.909 122.207 -4.298 19108 10437 1 12 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.729 -0.953 19108 10438 1 12 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.617 0.597 19108 10439 1 12 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.701 -0.815 19108 10440 1 12 . 1 1 104 104 TRP H H 104 7.880 7.880 8.440 -0.560 19108 10441 1 12 . 1 1 105 105 GLY N N 105 106.359 106.359 108.662 -2.303 19108 10442 1 12 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.968 -0.887 19108 10443 1 12 . 1 1 105 105 GLY H H 105 7.468 7.468 8.794 -1.326 19108 10444 1 12 . 1 1 106 106 CYS N N 106 120.359 120.359 121.309 -0.950 19108 10445 1 12 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.565 -0.706 19108 10446 1 12 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.578 5.524 19108 10447 1 12 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.312 2.406 19108 10448 1 12 . 1 1 106 106 CYS H H 106 7.366 7.366 8.460 -1.094 19108 10449 1 12 . 1 1 107 107 ALA N N 107 119.725 119.725 124.058 -4.333 19108 10450 1 12 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.089 -0.224 19108 10451 1 12 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.156 1.778 19108 10452 1 12 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.121 0.322 19108 10453 1 12 . 1 1 107 107 ALA H H 107 8.719 8.719 8.533 0.186 19108 10454 1 12 . 1 1 108 108 GLY N N 108 103.829 103.829 107.574 -3.745 19108 10455 1 12 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.337 -0.443 19108 10456 1 12 . 1 1 108 108 GLY H H 108 8.555 8.555 8.527 0.028 19108 10457 1 12 . 1 1 109 109 GLU N N 109 123.162 123.162 122.010 1.152 19108 10458 1 12 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.174 0.092 19108 10459 1 12 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.375 -0.083 19108 10460 1 12 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.428 0.954 19108 10461 1 12 . 1 1 109 109 GLU H H 109 8.023 8.023 7.781 0.242 19108 10462 1 12 . 1 1 110 110 VAL N N 110 121.866 121.866 119.795 2.071 19108 10463 1 12 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.710 -0.011 19108 10464 1 12 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.698 0.345 19108 10465 1 12 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.368 -0.362 19108 10466 1 12 . 1 1 110 110 VAL H H 110 8.942 8.942 7.680 1.262 19108 10467 1 12 . 1 1 111 111 ARG N N 111 120.587 120.587 119.609 0.978 19108 10468 1 12 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.831 -0.045 19108 10469 1 12 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.556 0.526 19108 10470 1 12 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.502 -0.327 19108 10471 1 12 . 1 1 111 111 ARG H H 111 8.653 8.653 8.363 0.290 19108 10472 1 12 . 1 1 112 112 ALA N N 112 120.687 120.687 122.777 -2.090 19108 10473 1 12 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.064 0.070 19108 10474 1 12 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.873 0.545 19108 10475 1 12 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.040 -0.049 19108 10476 1 12 . 1 1 112 112 ALA H H 112 7.875 7.875 8.236 -0.361 19108 10477 1 12 . 1 1 113 113 PHE N N 113 118.950 118.950 119.735 -0.785 19108 10478 1 12 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.202 0.135 19108 10479 1 12 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.121 0.255 19108 10480 1 12 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.088 0.299 19108 10481 1 12 . 1 1 113 113 PHE H H 113 8.139 8.139 7.782 0.357 19108 10482 1 12 . 1 1 114 114 LEU N N 114 120.595 120.595 121.199 -0.604 19108 10483 1 12 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.758 0.042 19108 10484 1 12 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.148 -1.015 19108 10485 1 12 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.059 -1.150 19108 10486 1 12 . 1 1 114 114 LEU H H 114 8.639 8.639 7.747 0.892 19108 10487 1 12 . 1 1 115 115 GLN N N 115 117.666 117.666 115.694 1.972 19108 10488 1 12 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.888 0.135 19108 10489 1 12 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.341 0.045 19108 10490 1 12 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.631 -0.093 19108 10491 1 12 . 1 1 115 115 GLN H H 115 8.167 8.167 8.139 0.028 19108 10492 1 12 . 1 1 116 116 GLU N N 116 115.380 115.380 116.983 -1.603 19108 10493 1 12 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.396 -0.074 19108 10494 1 12 . 1 1 116 116 GLU CA C 116 57.062 57.062 57.142 -0.079 19108 10495 1 12 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.978 -0.263 19108 10496 1 12 . 1 1 116 116 GLU H H 116 7.448 7.448 7.574 -0.126 19108 10497 1 12 . 1 1 117 117 ASN N N 117 119.831 119.831 117.054 2.777 19108 10498 1 12 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.904 0.161 19108 10499 1 12 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.176 0.009 19108 10500 1 12 . 1 1 117 117 ASN CB C 117 38.246 38.246 37.759 0.487 19108 10501 1 12 . 1 1 117 117 ASN H H 117 7.632 7.632 8.199 -0.567 19108 10502 1 12 . 1 1 118 118 THR N N 118 111.041 111.041 115.059 -4.018 19108 10503 1 12 . 1 1 118 118 THR HA H 118 4.317 4.317 3.866 0.451 19108 10504 1 12 . 1 1 118 118 THR CA C 118 64.081 64.081 64.420 -0.339 19108 10505 1 12 . 1 1 118 118 THR CB C 118 68.767 68.767 68.759 0.008 19108 10506 1 12 . 1 1 118 118 THR H H 118 8.054 8.054 7.532 0.522 19108 10507 1 12 . 1 1 119 119 HIS N N 119 120.403 120.403 114.828 5.575 19108 10508 1 12 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.578 -0.289 19108 10509 1 12 . 1 1 119 119 HIS CA C 119 56.601 56.601 54.874 1.727 19108 10510 1 12 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.546 1.774 19108 10511 1 12 . 1 1 119 119 HIS H H 119 9.248 9.248 8.092 1.156 19108 10512 1 12 . 1 1 120 120 VAL N N 120 120.001 120.001 112.539 7.462 19108 10513 1 12 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.970 -0.444 19108 10514 1 12 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.273 2.618 19108 10515 1 12 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.204 -2.209 19108 10516 1 12 . 1 1 120 120 VAL H H 120 7.379 7.379 7.228 0.151 19108 10517 1 12 . 1 1 121 121 ARG N N 121 125.312 125.312 121.876 3.436 19108 10518 1 12 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.605 0.205 19108 10519 1 12 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.567 -1.500 19108 10520 1 12 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.385 -1.805 19108 10521 1 12 . 1 1 121 121 ARG H H 121 8.775 8.775 8.228 0.547 19108 10522 1 12 . 1 1 122 122 LEU N N 122 125.483 125.483 124.029 1.454 19108 10523 1 12 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.825 0.335 19108 10524 1 12 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.899 -0.598 19108 10525 1 12 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.087 2.584 19108 10526 1 12 . 1 1 122 122 LEU H H 122 9.345 9.345 8.623 0.722 19108 10527 1 12 . 1 1 123 123 ARG N N 123 127.748 127.748 126.214 1.534 19108 10528 1 12 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.665 0.071 19108 10529 1 12 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.447 -0.280 19108 10530 1 12 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.259 0.553 19108 10531 1 12 . 1 1 123 123 ARG H H 123 9.053 9.053 8.233 0.820 19108 10532 1 12 . 1 1 124 124 ILE N N 124 123.665 123.665 123.923 -0.258 19108 10533 1 12 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.184 0.258 19108 10534 1 12 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.575 0.184 19108 10535 1 12 . 1 1 124 124 ILE CB C 124 41.893 41.893 41.015 0.878 19108 10536 1 12 . 1 1 124 124 ILE H H 124 9.019 9.019 8.611 0.408 19108 10537 1 12 . 1 1 125 125 PHE N N 125 126.320 126.320 126.250 0.070 19108 10538 1 12 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.533 -0.368 19108 10539 1 12 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.735 0.179 19108 10540 1 12 . 1 1 125 125 PHE CB C 125 40.819 40.819 42.029 -1.210 19108 10541 1 12 . 1 1 125 125 PHE H H 125 9.359 9.359 8.135 1.224 19108 10542 1 12 . 1 1 126 126 ALA N N 126 124.526 124.526 127.740 -3.214 19108 10543 1 12 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.135 0.681 19108 10544 1 12 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.364 -1.494 19108 10545 1 12 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.842 0.492 19108 10546 1 12 . 1 1 126 126 ALA H H 126 9.091 9.091 8.542 0.549 19108 10547 1 12 . 1 1 127 127 ALA N N 127 126.272 126.272 128.313 -2.041 19108 10548 1 12 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.562 0.189 19108 10549 1 12 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.468 2.001 19108 10550 1 12 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.936 -0.331 19108 10551 1 12 . 1 1 127 127 ALA H H 127 9.049 9.049 9.188 -0.139 19108 10552 1 12 . 1 1 128 128 ARG N N 128 108.570 108.570 118.130 -9.560 19108 10553 1 12 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.785 -0.371 19108 10554 1 12 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.359 3.847 19108 10555 1 12 . 1 1 128 128 ARG H H 128 6.741 6.741 7.923 -1.182 19108 10556 1 12 . 1 1 129 129 ILE N N 129 121.285 121.285 123.944 -2.659 19108 10557 1 12 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.040 0.251 19108 10558 1 12 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.827 0.040 19108 10559 1 12 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.078 0.751 19108 10560 1 12 . 1 1 129 129 ILE H H 129 8.340 8.340 8.110 0.230 19108 10561 1 12 . 1 1 130 130 TYR N N 130 130.143 130.143 125.675 4.468 19108 10562 1 12 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.414 0.921 19108 10563 1 12 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.683 -0.757 19108 10564 1 12 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.064 -2.901 19108 10565 1 12 . 1 1 130 130 TYR H H 130 8.870 8.870 8.039 0.831 19108 10566 1 12 . 1 1 131 131 ASP N N 131 123.662 123.662 121.691 1.971 19108 10567 1 12 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.983 -1.316 19108 10568 1 12 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.608 1.105 19108 10569 1 12 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.063 -4.162 19108 10570 1 12 . 1 1 131 131 ASP H H 131 8.123 8.123 8.159 -0.036 19108 10571 1 12 . 1 1 132 132 TYR N N 132 116.852 116.852 115.594 1.258 19108 10572 1 12 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.569 -0.654 19108 10573 1 12 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.542 0.926 19108 10574 1 12 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.297 0.739 19108 10575 1 12 . 1 1 132 132 TYR H H 132 6.448 6.448 8.642 -2.194 19108 10576 1 12 . 1 1 133 133 ASP N N 133 116.930 116.930 120.879 -3.949 19108 10577 1 12 . 1 1 133 133 ASP CA C 133 50.165 50.165 50.065 0.100 19108 10578 1 12 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.274 2.508 19108 10579 1 12 . 1 1 133 133 ASP H H 133 7.005 7.005 7.395 -0.390 19108 10580 1 12 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.315 -0.212 19108 10581 1 12 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.117 -0.416 19108 10582 1 12 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.774 0.316 19108 10583 1 12 . 1 1 135 135 LEU N N 135 120.252 120.252 119.046 1.206 19108 10584 1 12 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.878 0.820 19108 10585 1 12 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.027 -2.646 19108 10586 1 12 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.482 -1.738 19108 10587 1 12 . 1 1 135 135 LEU H H 135 8.456 8.456 7.495 0.961 19108 10588 1 12 . 1 1 136 136 TYR N N 136 117.432 117.432 119.009 -1.577 19108 10589 1 12 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.870 0.191 19108 10590 1 12 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.621 0.437 19108 10591 1 12 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.258 0.322 19108 10592 1 12 . 1 1 136 136 TYR H H 136 8.028 8.028 7.654 0.374 19108 10593 1 12 . 1 1 137 137 LYS N N 137 122.000 122.000 118.885 3.115 19108 10594 1 12 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.114 1.185 19108 10595 1 12 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.847 -1.049 19108 10596 1 12 . 1 1 137 137 LYS H H 137 7.503 7.503 7.462 0.041 19108 10597 1 12 . 1 1 138 138 GLU N N 138 121.833 121.833 118.260 3.573 19108 10598 1 12 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.704 1.137 19108 10599 1 12 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.042 -1.573 19108 10600 1 12 . 1 1 138 138 GLU H H 138 8.752 8.752 7.833 0.919 19108 10601 1 12 . 1 1 139 139 ALA N N 139 119.592 119.592 123.165 -3.573 19108 10602 1 12 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.098 -0.252 19108 10603 1 12 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.133 0.007 19108 10604 1 12 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.294 1.961 19108 10605 1 12 . 1 1 139 139 ALA H H 139 7.682 7.682 7.518 0.164 19108 10606 1 12 . 1 1 140 140 LEU N N 140 116.268 116.268 118.830 -2.562 19108 10607 1 12 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.894 0.299 19108 10608 1 12 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.492 -0.397 19108 10609 1 12 . 1 1 140 140 LEU H H 140 7.175 7.175 7.661 -0.486 19108 10610 1 12 . 1 1 141 141 GLN N N 141 117.550 117.550 118.762 -1.212 19108 10611 1 12 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.027 -0.308 19108 10612 1 12 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.452 0.599 19108 10613 1 12 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.349 -0.755 19108 10614 1 12 . 1 1 141 141 GLN H H 141 8.322 8.322 7.646 0.676 19108 10615 1 12 . 1 1 142 142 MET N N 142 118.520 118.520 117.380 1.140 19108 10616 1 12 . 1 1 142 142 MET HA H 142 4.135 4.135 3.992 0.143 19108 10617 1 12 . 1 1 142 142 MET CA C 142 59.051 59.051 58.605 0.446 19108 10618 1 12 . 1 1 142 142 MET CB C 142 33.170 33.170 32.207 0.963 19108 10619 1 12 . 1 1 142 142 MET H H 142 8.241 8.241 8.223 0.018 19108 10620 1 12 . 1 1 143 143 LEU N N 143 118.659 118.659 117.362 1.297 19108 10621 1 12 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.077 0.215 19108 10622 1 12 . 1 1 143 143 LEU CA C 143 58.115 58.115 56.729 1.386 19108 10623 1 12 . 1 1 143 143 LEU CB C 143 41.377 41.377 42.038 -0.661 19108 10624 1 12 . 1 1 143 143 LEU H H 143 7.932 7.932 7.855 0.077 19108 10625 1 12 . 1 1 144 144 ARG N N 144 121.294 121.294 119.995 1.299 19108 10626 1 12 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.902 0.524 19108 10627 1 12 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.291 -0.302 19108 10628 1 12 . 1 1 144 144 ARG CB C 144 28.108 28.108 30.049 -1.941 19108 10629 1 12 . 1 1 144 144 ARG H H 144 7.968 7.968 7.843 0.125 19108 10630 1 12 . 1 1 145 145 ASP N N 145 122.553 122.553 116.391 6.162 19108 10631 1 12 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.562 -0.133 19108 10632 1 12 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.157 1.421 19108 10633 1 12 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.974 -1.384 19108 10634 1 12 . 1 1 145 145 ASP H H 145 8.868 8.868 7.818 1.050 19108 10635 1 12 . 1 1 146 146 ALA N N 146 120.102 120.102 121.945 -1.843 19108 10636 1 12 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.454 -0.036 19108 10637 1 12 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.237 -0.203 19108 10638 1 12 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.906 -0.611 19108 10639 1 12 . 1 1 146 146 ALA H H 146 7.737 7.737 7.540 0.197 19108 10640 1 12 . 1 1 147 147 GLY N N 147 105.039 105.039 106.646 -1.607 19108 10641 1 12 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.021 -0.157 19108 10642 1 12 . 1 1 147 147 GLY H H 147 7.966 7.966 7.950 0.016 19108 10643 1 12 . 1 1 148 148 ALA N N 148 124.181 124.181 124.879 -0.698 19108 10644 1 12 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.527 0.162 19108 10645 1 12 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.063 0.396 19108 10646 1 12 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.968 -3.489 19108 10647 1 12 . 1 1 148 148 ALA H H 148 8.051 8.051 7.787 0.264 19108 10648 1 12 . 1 1 149 149 GLN N N 149 122.185 122.185 120.534 1.651 19108 10649 1 12 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.669 -0.230 19108 10650 1 12 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.675 0.280 19108 10651 1 12 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.039 0.382 19108 10652 1 12 . 1 1 149 149 GLN H H 149 7.953 7.953 8.083 -0.130 19108 10653 1 12 . 1 1 150 150 VAL N N 150 127.399 127.399 123.223 4.176 19108 10654 1 12 . 1 1 150 150 VAL HA H 150 4.752 4.752 5.075 -0.323 19108 10655 1 12 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.819 0.620 19108 10656 1 12 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.463 -0.285 19108 10657 1 12 . 1 1 150 150 VAL H H 150 8.658 8.658 8.421 0.237 19108 10658 1 12 . 1 1 151 151 SER N N 151 120.616 120.616 121.497 -0.881 19108 10659 1 12 . 1 1 151 151 SER HA H 151 5.179 5.179 4.867 0.312 19108 10660 1 12 . 1 1 151 151 SER CA C 151 56.981 56.981 57.090 -0.109 19108 10661 1 12 . 1 1 151 151 SER CB C 151 66.538 66.538 66.776 -0.238 19108 10662 1 12 . 1 1 151 151 SER H H 151 8.737 8.737 8.207 0.530 19108 10663 1 12 . 1 1 152 152 ILE N N 152 123.180 123.180 122.825 0.355 19108 10664 1 12 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.584 0.563 19108 10665 1 12 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.658 -4.140 19108 10666 1 12 . 1 1 152 152 ILE CB C 152 37.080 37.080 40.183 -3.103 19108 10667 1 12 . 1 1 152 152 ILE H H 152 8.672 8.672 8.652 0.020 19108 10668 1 12 . 1 1 153 153 MET N N 153 123.477 123.477 126.861 -3.384 19108 10669 1 12 . 1 1 153 153 MET HA H 153 3.886 3.886 4.416 -0.530 19108 10670 1 12 . 1 1 153 153 MET CA C 153 59.053 59.053 56.788 2.265 19108 10671 1 12 . 1 1 153 153 MET CB C 153 34.793 34.793 32.900 1.893 19108 10672 1 12 . 1 1 153 153 MET H H 153 8.314 8.314 8.335 -0.021 19108 10673 1 12 . 1 1 154 154 THR N N 154 117.621 117.621 117.425 0.196 19108 10674 1 12 . 1 1 154 154 THR HA H 154 4.951 4.951 4.581 0.370 19108 10675 1 12 . 1 1 154 154 THR CA C 154 60.436 60.436 59.441 0.996 19108 10676 1 12 . 1 1 154 154 THR CB C 154 72.370 72.370 71.000 1.370 19108 10677 1 12 . 1 1 154 154 THR H H 154 9.630 9.630 7.978 1.652 19108 10678 1 12 . 1 1 155 155 TYR N N 155 121.751 121.751 122.344 -0.593 19108 10679 1 12 . 1 1 155 155 TYR HA H 155 4.099 4.099 3.667 0.432 19108 10680 1 12 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.683 2.756 19108 10681 1 12 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.919 1.367 19108 10682 1 12 . 1 1 155 155 TYR H H 155 9.769 9.769 8.705 1.064 19108 10683 1 12 . 1 1 156 156 ASP N N 156 115.555 115.555 115.708 -0.153 19108 10684 1 12 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.153 -0.045 19108 10685 1 12 . 1 1 156 156 ASP CA C 156 58.260 58.260 56.639 1.621 19108 10686 1 12 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.249 1.369 19108 10687 1 12 . 1 1 156 156 ASP H H 156 8.230 8.230 8.630 -0.400 19108 10688 1 12 . 1 1 157 157 GLU N N 157 117.678 117.678 119.889 -2.211 19108 10689 1 12 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.799 0.071 19108 10690 1 12 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.926 1.581 19108 10691 1 12 . 1 1 157 157 GLU CB C 157 31.048 31.048 28.861 2.187 19108 10692 1 12 . 1 1 157 157 GLU H H 157 7.470 7.470 7.848 -0.378 19108 10693 1 12 . 1 1 158 158 PHE N N 158 119.869 119.869 115.503 4.366 19108 10694 1 12 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.173 -0.344 19108 10695 1 12 . 1 1 158 158 PHE CA C 158 62.776 62.776 58.435 4.341 19108 10696 1 12 . 1 1 158 158 PHE CB C 158 39.907 39.907 37.391 2.516 19108 10697 1 12 . 1 1 158 158 PHE H H 158 8.077 8.077 6.613 1.464 19108 10698 1 12 . 1 1 159 159 LYS N N 159 118.859 118.859 121.519 -2.660 19108 10699 1 12 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.604 0.313 19108 10700 1 12 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.932 -0.701 19108 10701 1 12 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.165 -0.202 19108 10702 1 12 . 1 1 159 159 LYS H H 159 8.273 8.273 6.623 1.650 19108 10703 1 12 . 1 1 160 160 HIS N N 160 115.889 115.889 118.446 -2.557 19108 10704 1 12 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.303 -0.144 19108 10705 1 12 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.968 1.012 19108 10706 1 12 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.682 -1.752 19108 10707 1 12 . 1 1 160 160 HIS H H 160 7.695 7.695 7.702 -0.007 19108 10708 1 12 . 1 1 161 161 CYS N N 161 118.188 118.188 118.310 -0.122 19108 10709 1 12 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.300 0.489 19108 10710 1 12 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.706 0.087 19108 10711 1 12 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.860 1.026 19108 10712 1 12 . 1 1 161 161 CYS H H 161 7.885 7.885 7.506 0.379 19108 10713 1 12 . 1 1 162 162 TRP N N 162 122.741 122.741 122.579 0.162 19108 10714 1 12 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.353 0.411 19108 10715 1 12 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.792 -0.075 19108 10716 1 12 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.201 -0.608 19108 10717 1 12 . 1 1 162 162 TRP H H 162 8.040 8.040 8.194 -0.154 19108 10718 1 12 . 1 1 163 163 ASP N N 163 113.796 113.796 117.784 -3.988 19108 10719 1 12 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.551 0.575 19108 10720 1 12 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.062 0.868 19108 10721 1 12 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.250 0.285 19108 10722 1 12 . 1 1 163 163 ASP H H 163 8.319 8.319 7.766 0.553 19108 10723 1 12 . 1 1 164 164 THR N N 164 112.008 112.008 114.846 -2.838 19108 10724 1 12 . 1 1 164 164 THR HA H 164 3.803 3.803 3.960 -0.157 19108 10725 1 12 . 1 1 164 164 THR CA C 164 65.164 65.164 64.629 0.535 19108 10726 1 12 . 1 1 164 164 THR CB C 164 70.171 70.171 68.867 1.304 19108 10727 1 12 . 1 1 164 164 THR H H 164 7.494 7.494 7.314 0.180 19108 10728 1 12 . 1 1 165 165 PHE N N 165 115.079 115.079 120.237 -5.158 19108 10729 1 12 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.507 0.028 19108 10730 1 12 . 1 1 165 165 PHE CA C 165 57.969 57.969 59.011 -1.042 19108 10731 1 12 . 1 1 165 165 PHE CB C 165 40.368 40.368 38.542 1.826 19108 10732 1 12 . 1 1 165 165 PHE H H 165 8.235 8.235 8.053 0.182 19108 10733 1 12 . 1 1 166 166 VAL N N 166 118.432 118.432 117.152 1.280 19108 10734 1 12 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.202 -0.177 19108 10735 1 12 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.423 0.578 19108 10736 1 12 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.968 -3.613 19108 10737 1 12 . 1 1 166 166 VAL H H 166 6.838 6.838 7.141 -0.303 19108 10738 1 12 . 1 1 167 167 ASP N N 167 126.263 126.263 127.929 -1.666 19108 10739 1 12 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.599 -0.751 19108 10740 1 12 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.290 -1.660 19108 10741 1 12 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.633 -1.553 19108 10742 1 12 . 1 1 167 167 ASP H H 167 8.498 8.498 8.867 -0.369 19108 10743 1 12 . 1 1 168 168 HIS N N 168 119.890 119.890 117.588 2.302 19108 10744 1 12 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.107 0.239 19108 10745 1 12 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.864 -1.289 19108 10746 1 12 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.697 2.765 19108 10747 1 12 . 1 1 168 168 HIS H H 168 6.977 6.977 7.758 -0.781 19108 10748 1 12 . 1 1 169 169 GLN N N 169 119.254 119.254 114.266 4.988 19108 10749 1 12 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.992 -0.269 19108 10750 1 12 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.740 0.030 19108 10751 1 12 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.262 -0.741 19108 10752 1 12 . 1 1 169 169 GLN H H 169 9.126 9.126 8.654 0.472 19108 10753 1 12 . 1 1 170 170 GLY N N 170 111.911 111.911 101.650 10.261 19108 10754 1 12 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.141 0.683 19108 10755 1 12 . 1 1 170 170 GLY H H 170 11.556 11.556 5.922 5.634 19108 10756 1 12 . 1 1 171 171 CYS N N 171 123.390 123.390 120.998 2.392 19108 10757 1 12 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.941 -0.225 19108 10758 1 12 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.469 1.316 19108 10759 1 12 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.626 -0.722 19108 10760 1 12 . 1 1 171 171 CYS H H 171 8.044 8.044 7.077 0.967 19108 10761 1 12 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.556 0.062 19108 10762 1 12 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.411 -1.553 19108 10763 1 12 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.326 0.203 19108 10764 1 12 . 1 1 173 173 PHE N N 173 121.101 121.101 121.283 -0.182 19108 10765 1 12 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.199 -0.543 19108 10766 1 12 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.017 -1.476 19108 10767 1 12 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.816 -1.070 19108 10768 1 12 . 1 1 173 173 PHE H H 173 8.842 8.842 8.407 0.435 19108 10769 1 12 . 1 1 174 174 GLN N N 174 129.493 129.493 123.694 5.799 19108 10770 1 12 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.242 0.075 19108 10771 1 12 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.951 -1.156 19108 10772 1 12 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.751 0.346 19108 10773 1 12 . 1 1 174 174 GLN H H 174 7.250 7.250 6.809 0.441 19108 10774 1 12 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.959 -1.045 19108 10775 1 12 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.336 0.087 19108 10776 1 12 . 1 1 176 176 TRP N N 176 118.133 118.133 124.434 -6.301 19108 10777 1 12 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.820 -0.187 19108 10778 1 12 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.182 -0.020 19108 10779 1 12 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.597 -0.708 19108 10780 1 12 . 1 1 176 176 TRP H H 176 5.591 5.591 7.087 -1.496 19108 10781 1 12 . 1 1 177 177 ASP N N 177 121.814 121.814 121.925 -0.111 19108 10782 1 12 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.815 -0.418 19108 10783 1 12 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.222 1.950 19108 10784 1 12 . 1 1 177 177 ASP CB C 177 40.675 40.675 41.413 -0.738 19108 10785 1 12 . 1 1 177 177 ASP H H 177 8.848 8.848 8.556 0.292 19108 10786 1 12 . 1 1 178 178 GLY N N 178 111.875 111.875 110.673 1.202 19108 10787 1 12 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.420 0.246 19108 10788 1 12 . 1 1 178 178 GLY H H 178 8.987 8.987 8.394 0.593 19108 10789 1 12 . 1 1 179 179 LEU N N 179 121.470 121.470 122.945 -1.475 19108 10790 1 12 . 1 1 179 179 LEU HA H 179 4.488 4.488 3.966 0.522 19108 10791 1 12 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.572 2.210 19108 10792 1 12 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.388 0.841 19108 10793 1 12 . 1 1 179 179 LEU H H 179 7.148 7.148 8.136 -0.988 19108 10794 1 12 . 1 1 180 180 ASP N N 180 119.476 119.476 117.685 1.791 19108 10795 1 12 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.421 0.071 19108 10796 1 12 . 1 1 180 180 ASP CA C 180 57.939 57.939 56.912 1.027 19108 10797 1 12 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.559 1.154 19108 10798 1 12 . 1 1 180 180 ASP H H 180 8.874 8.874 8.583 0.291 19108 10799 1 12 . 1 1 181 181 GLU N N 181 122.379 122.379 120.369 2.010 19108 10800 1 12 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.017 -0.005 19108 10801 1 12 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.886 0.083 19108 10802 1 12 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.462 -0.536 19108 10803 1 12 . 1 1 181 181 GLU H H 181 8.712 8.712 8.481 0.231 19108 10804 1 12 . 1 1 182 182 HIS N N 182 118.572 118.572 118.061 0.511 19108 10805 1 12 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.290 0.464 19108 10806 1 12 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.572 -0.543 19108 10807 1 12 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.580 -0.732 19108 10808 1 12 . 1 1 182 182 HIS H H 182 8.854 8.854 8.410 0.444 19108 10809 1 12 . 1 1 183 183 SER N N 183 116.329 116.329 115.312 1.017 19108 10810 1 12 . 1 1 183 183 SER HA H 183 4.554 4.554 4.132 0.422 19108 10811 1 12 . 1 1 183 183 SER CA C 183 63.604 63.604 61.948 1.656 19108 10812 1 12 . 1 1 183 183 SER CB C 183 65.216 65.216 62.528 2.688 19108 10813 1 12 . 1 1 183 183 SER H H 183 8.665 8.665 8.280 0.385 19108 10814 1 12 . 1 1 184 184 GLN N N 184 122.215 122.215 120.874 1.341 19108 10815 1 12 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.040 0.207 19108 10816 1 12 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.626 0.334 19108 10817 1 12 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.510 0.425 19108 10818 1 12 . 1 1 184 184 GLN H H 184 8.714 8.714 8.037 0.677 19108 10819 1 12 . 1 1 185 185 ALA N N 185 124.432 124.432 123.202 1.230 19108 10820 1 12 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.114 0.170 19108 10821 1 12 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.000 0.469 19108 10822 1 12 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.266 0.108 19108 10823 1 12 . 1 1 185 185 ALA H H 185 8.258 8.258 8.080 0.178 19108 10824 1 12 . 1 1 186 186 LEU N N 186 119.941 119.941 119.012 0.929 19108 10825 1 12 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.848 0.364 19108 10826 1 12 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.225 -0.009 19108 10827 1 12 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.640 1.124 19108 10828 1 12 . 1 1 186 186 LEU H H 186 8.953 8.953 8.599 0.354 19108 10829 1 12 . 1 1 187 187 SER N N 187 116.987 116.987 113.782 3.205 19108 10830 1 12 . 1 1 187 187 SER HA H 187 4.039 4.039 4.228 -0.189 19108 10831 1 12 . 1 1 187 187 SER CA C 187 63.302 63.302 61.840 1.462 19108 10832 1 12 . 1 1 187 187 SER CB C 187 62.760 62.760 62.596 0.164 19108 10833 1 12 . 1 1 187 187 SER H H 187 8.935 8.935 8.402 0.533 19108 10834 1 12 . 1 1 188 188 GLY N N 188 110.215 110.215 109.571 0.644 19108 10835 1 12 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.855 0.298 19108 10836 1 12 . 1 1 188 188 GLY H H 188 8.228 8.228 7.423 0.805 19108 10837 1 12 . 1 1 189 189 ARG N N 189 122.994 122.994 122.371 0.623 19108 10838 1 12 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.074 0.163 19108 10839 1 12 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.131 0.428 19108 10840 1 12 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.121 0.274 19108 10841 1 12 . 1 1 189 189 ARG H H 189 7.838 7.838 7.575 0.263 19108 10842 1 12 . 1 1 190 190 LEU N N 190 119.765 119.765 119.469 0.296 19108 10843 1 12 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.115 0.123 19108 10844 1 12 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.222 -0.003 19108 10845 1 12 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.358 -0.115 19108 10846 1 12 . 1 1 190 190 LEU H H 190 8.791 8.791 7.873 0.918 19108 10847 1 12 . 1 1 191 191 ARG N N 191 118.427 118.427 116.764 1.663 19108 10848 1 12 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.035 0.008 19108 10849 1 12 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.689 1.093 19108 10850 1 12 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.938 0.253 19108 10851 1 12 . 1 1 191 191 ARG H H 191 8.305 8.305 8.083 0.222 19108 10852 1 12 . 1 1 192 192 ALA N N 192 119.414 119.414 120.482 -1.068 19108 10853 1 12 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.188 0.029 19108 10854 1 12 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.413 0.303 19108 10855 1 12 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.734 -0.569 19108 10856 1 12 . 1 1 192 192 ALA H H 192 7.414 7.414 7.587 -0.173 19108 10857 1 12 . 1 1 193 193 ILE N N 193 118.949 118.949 117.127 1.822 19108 10858 1 12 . 1 1 193 193 ILE HA H 193 3.770 3.770 4.074 -0.304 19108 10859 1 12 . 1 1 193 193 ILE CA C 193 64.838 64.838 62.907 1.931 19108 10860 1 12 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.717 0.730 19108 10861 1 12 . 1 1 193 193 ILE H H 193 7.896 7.896 7.679 0.217 19108 10862 1 12 . 1 1 194 194 LEU N N 194 116.435 116.435 118.529 -2.094 19108 10863 1 12 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.404 -0.131 19108 10864 1 12 . 1 1 194 194 LEU CA C 194 55.713 55.713 53.962 1.751 19108 10865 1 12 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.524 -1.053 19108 10866 1 12 . 1 1 194 194 LEU H H 194 8.296 8.296 7.643 0.653 19108 10867 1 12 . 1 1 195 195 GLN N N 195 118.580 118.580 117.531 1.049 19108 10868 1 12 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.156 0.179 19108 10869 1 12 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.898 0.519 19108 10870 1 12 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.149 0.449 19108 10871 1 12 . 1 1 195 195 GLN H H 195 7.921 7.921 7.505 0.416 19108 10872 1 12 . 1 1 196 196 ASN N N 196 118.941 118.941 120.580 -1.639 19108 10873 1 12 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.796 -0.094 19108 10874 1 12 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.883 0.567 19108 10875 1 12 . 1 1 196 196 ASN CB C 196 38.825 38.825 37.782 1.043 19108 10876 1 12 . 1 1 196 196 ASN H H 196 8.078 8.078 8.189 -0.111 19108 10877 1 12 . 1 1 197 197 GLN N N 197 120.984 120.984 122.079 -1.095 19108 10878 1 12 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.544 -0.188 19108 10879 1 12 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.106 1.060 19108 10880 1 12 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.948 -0.452 19108 10881 1 12 . 1 1 197 197 GLN H H 197 8.526 8.526 7.804 0.722 19108 10882 1 12 . 1 1 198 198 GLY N N 198 109.565 109.565 109.540 0.025 19108 10883 1 12 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.031 0.353 19108 10884 1 12 . 1 1 198 198 GLY H H 198 8.467 8.467 8.577 -0.110 19108 10885 1 13 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.327 0.047 19108 10886 1 13 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.431 -0.083 19108 10887 1 13 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.494 -0.041 19108 10888 1 13 . 1 1 3 3 ALA N N 3 125.932 125.932 126.022 -0.090 19108 10889 1 13 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.387 -0.037 19108 10890 1 13 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.170 1.237 19108 10891 1 13 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.806 0.774 19108 10892 1 13 . 1 1 3 3 ALA H H 3 8.526 8.526 8.263 0.263 19108 10893 1 13 . 1 1 4 4 SER N N 4 116.729 116.729 115.784 0.945 19108 10894 1 13 . 1 1 4 4 SER HA H 4 4.766 4.766 4.295 0.471 19108 10895 1 13 . 1 1 4 4 SER CA C 4 56.283 56.283 57.688 -1.405 19108 10896 1 13 . 1 1 4 4 SER CB C 4 63.278 63.278 62.469 0.809 19108 10897 1 13 . 1 1 4 4 SER H H 4 8.397 8.397 7.621 0.776 19108 10898 1 13 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.202 0.244 19108 10899 1 13 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.878 -0.572 19108 10900 1 13 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.309 0.788 19108 10901 1 13 . 1 1 6 6 ALA N N 6 124.236 124.236 127.003 -2.767 19108 10902 1 13 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.124 0.209 19108 10903 1 13 . 1 1 6 6 ALA CA C 6 52.563 52.563 53.007 -0.444 19108 10904 1 13 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.160 0.173 19108 10905 1 13 . 1 1 6 6 ALA H H 6 8.411 8.411 8.697 -0.286 19108 10906 1 13 . 1 1 7 7 SER N N 7 114.497 114.497 113.241 1.256 19108 10907 1 13 . 1 1 7 7 SER HA H 7 4.475 4.475 4.197 0.278 19108 10908 1 13 . 1 1 7 7 SER CA C 7 58.258 58.258 59.488 -1.230 19108 10909 1 13 . 1 1 7 7 SER CB C 7 64.174 64.174 63.690 0.484 19108 10910 1 13 . 1 1 7 7 SER H H 7 8.195 8.195 8.083 0.112 19108 10911 1 13 . 1 1 8 8 GLY N N 8 110.497 110.497 111.752 -1.255 19108 10912 1 13 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.989 -0.143 19108 10913 1 13 . 1 1 8 8 GLY H H 8 8.226 8.226 8.252 -0.026 19108 10914 1 13 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.698 -0.249 19108 10915 1 13 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.774 0.660 19108 10916 1 13 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.155 1.038 19108 10917 1 13 . 1 1 10 10 ARG N N 10 120.534 120.534 123.313 -2.779 19108 10918 1 13 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.482 -0.141 19108 10919 1 13 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.181 0.835 19108 10920 1 13 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.670 -0.861 19108 10921 1 13 . 1 1 10 10 ARG H H 10 8.469 8.469 7.992 0.477 19108 10922 1 13 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.835 -0.010 19108 10923 1 13 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.657 0.804 19108 10924 1 13 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.485 0.706 19108 10925 1 13 . 1 1 12 12 LEU N N 12 122.284 122.284 121.945 0.339 19108 10926 1 13 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.916 0.693 19108 10927 1 13 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.013 2.017 19108 10928 1 13 . 1 1 12 12 LEU H H 12 8.250 8.250 8.066 0.184 19108 10929 1 13 . 1 1 13 13 MET N N 13 121.493 121.493 118.686 2.807 19108 10930 1 13 . 1 1 13 13 MET HA H 13 4.038 4.038 4.371 -0.333 19108 10931 1 13 . 1 1 13 13 MET CA C 13 54.449 54.449 55.078 -0.628 19108 10932 1 13 . 1 1 13 13 MET CB C 13 35.015 35.015 33.478 1.537 19108 10933 1 13 . 1 1 13 13 MET H H 13 8.955 8.955 8.074 0.881 19108 10934 1 13 . 1 1 14 14 ASP N N 14 127.113 127.113 121.121 5.992 19108 10935 1 13 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.104 -1.004 19108 10936 1 13 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.117 0.339 19108 10937 1 13 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.421 2.089 19108 10938 1 13 . 1 1 14 14 ASP H H 14 8.514 8.514 8.374 0.140 19108 10939 1 13 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.257 -0.404 19108 10940 1 13 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.896 -0.242 19108 10941 1 13 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.105 -0.454 19108 10942 1 13 . 1 1 16 16 HIS N N 16 115.776 115.776 117.378 -1.602 19108 10943 1 13 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.488 -0.210 19108 10944 1 13 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.587 -0.669 19108 10945 1 13 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.331 -0.123 19108 10946 1 13 . 1 1 16 16 HIS H H 16 8.591 8.591 8.677 -0.086 19108 10947 1 13 . 1 1 17 17 ILE N N 17 122.675 122.675 119.049 3.626 19108 10948 1 13 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.289 0.195 19108 10949 1 13 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.840 -1.614 19108 10950 1 13 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.773 -0.675 19108 10951 1 13 . 1 1 17 17 ILE H H 17 7.558 7.558 8.089 -0.531 19108 10952 1 13 . 1 1 18 18 PHE N N 18 120.513 120.513 120.411 0.102 19108 10953 1 13 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.089 -0.086 19108 10954 1 13 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.030 0.774 19108 10955 1 13 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.532 0.108 19108 10956 1 13 . 1 1 18 18 PHE H H 18 7.831 7.831 8.362 -0.531 19108 10957 1 13 . 1 1 19 19 THR N N 19 114.555 114.555 113.138 1.417 19108 10958 1 13 . 1 1 19 19 THR HA H 19 3.657 3.657 4.074 -0.417 19108 10959 1 13 . 1 1 19 19 THR CA C 19 66.485 66.485 65.934 0.551 19108 10960 1 13 . 1 1 19 19 THR CB C 19 68.345 68.345 68.767 -0.422 19108 10961 1 13 . 1 1 19 19 THR H H 19 9.036 9.036 8.381 0.655 19108 10962 1 13 . 1 1 20 20 SER N N 20 113.030 113.030 117.738 -4.708 19108 10963 1 13 . 1 1 20 20 SER HA H 20 4.062 4.062 4.194 -0.132 19108 10964 1 13 . 1 1 20 20 SER CA C 20 60.610 60.610 61.572 -0.961 19108 10965 1 13 . 1 1 20 20 SER CB C 20 63.843 63.843 62.980 0.862 19108 10966 1 13 . 1 1 20 20 SER H H 20 7.809 7.809 8.434 -0.625 19108 10967 1 13 . 1 1 21 21 ASN N N 21 115.629 115.629 118.558 -2.929 19108 10968 1 13 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.333 0.078 19108 10969 1 13 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.215 1.774 19108 10970 1 13 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.283 3.297 19108 10971 1 13 . 1 1 21 21 ASN H H 21 7.362 7.362 7.694 -0.332 19108 10972 1 13 . 1 1 22 22 PHE N N 22 117.773 117.773 114.641 3.132 19108 10973 1 13 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.478 -0.205 19108 10974 1 13 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.106 -0.646 19108 10975 1 13 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.222 -1.392 19108 10976 1 13 . 1 1 22 22 PHE H H 22 8.296 8.296 7.589 0.707 19108 10977 1 13 . 1 1 23 23 ASN N N 23 115.026 115.026 121.228 -6.202 19108 10978 1 13 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.296 0.233 19108 10979 1 13 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.805 0.837 19108 10980 1 13 . 1 1 23 23 ASN CB C 23 36.623 36.623 37.161 -0.538 19108 10981 1 13 . 1 1 23 23 ASN H H 23 6.097 6.097 7.626 -1.529 19108 10982 1 13 . 1 1 24 24 ASN N N 24 122.900 122.900 118.612 4.288 19108 10983 1 13 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.383 0.050 19108 10984 1 13 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.898 -1.625 19108 10985 1 13 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.872 0.020 19108 10986 1 13 . 1 1 24 24 ASN H H 24 7.083 7.083 8.289 -1.206 19108 10987 1 13 . 1 1 25 25 GLY N N 25 105.587 105.587 107.438 -1.851 19108 10988 1 13 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.653 -0.788 19108 10989 1 13 . 1 1 25 25 GLY H H 25 8.520 8.520 8.225 0.295 19108 10990 1 13 . 1 1 26 26 ILE N N 26 120.182 120.182 119.157 1.025 19108 10991 1 13 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.377 -0.203 19108 10992 1 13 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.764 1.679 19108 10993 1 13 . 1 1 26 26 ILE CB C 26 40.515 40.515 41.479 -0.964 19108 10994 1 13 . 1 1 26 26 ILE H H 26 6.944 6.944 8.019 -1.075 19108 10995 1 13 . 1 1 27 27 GLY N N 27 111.665 111.665 107.672 3.993 19108 10996 1 13 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.861 0.458 19108 10997 1 13 . 1 1 27 27 GLY H H 27 8.457 8.457 8.220 0.237 19108 10998 1 13 . 1 1 28 28 ARG N N 28 117.565 117.565 120.984 -3.419 19108 10999 1 13 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.676 -1.111 19108 11000 1 13 . 1 1 28 28 ARG H H 28 6.741 6.741 8.365 -1.624 19108 11001 1 13 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.934 2.070 19108 11002 1 13 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.493 0.551 19108 11003 1 13 . 1 1 29 29 HIS H H 29 8.636 8.636 8.298 0.338 19108 11004 1 13 . 1 1 30 30 LYS N N 30 119.344 119.344 121.709 -2.365 19108 11005 1 13 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.320 0.101 19108 11006 1 13 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.906 0.958 19108 11007 1 13 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.841 1.350 19108 11008 1 13 . 1 1 30 30 LYS H H 30 7.870 7.870 7.141 0.729 19108 11009 1 13 . 1 1 31 31 THR N N 31 118.233 118.233 115.632 2.601 19108 11010 1 13 . 1 1 31 31 THR HA H 31 4.125 4.125 3.582 0.543 19108 11011 1 13 . 1 1 31 31 THR CA C 31 63.175 63.175 63.757 -0.582 19108 11012 1 13 . 1 1 31 31 THR H H 31 8.436 8.436 7.104 1.332 19108 11013 1 13 . 1 1 32 32 TYR N N 32 124.026 124.026 125.277 -1.251 19108 11014 1 13 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.922 0.014 19108 11015 1 13 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.784 -0.283 19108 11016 1 13 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.182 2.222 19108 11017 1 13 . 1 1 32 32 TYR H H 32 8.244 8.244 8.684 -0.440 19108 11018 1 13 . 1 1 33 33 LEU N N 33 125.428 125.428 124.718 0.710 19108 11019 1 13 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.306 -0.227 19108 11020 1 13 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.263 1.575 19108 11021 1 13 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.324 1.660 19108 11022 1 13 . 1 1 33 33 LEU H H 33 9.232 9.232 8.759 0.473 19108 11023 1 13 . 1 1 34 34 CYS N N 34 125.975 125.975 126.676 -0.701 19108 11024 1 13 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.192 -0.186 19108 11025 1 13 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.880 1.264 19108 11026 1 13 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.883 1.419 19108 11027 1 13 . 1 1 34 34 CYS H H 34 9.640 9.640 9.103 0.537 19108 11028 1 13 . 1 1 35 35 TYR N N 35 121.183 121.183 122.787 -1.604 19108 11029 1 13 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.589 0.899 19108 11030 1 13 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.041 -0.259 19108 11031 1 13 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.688 2.402 19108 11032 1 13 . 1 1 35 35 TYR H H 35 9.094 9.094 8.672 0.422 19108 11033 1 13 . 1 1 36 36 GLU N N 36 115.538 115.538 121.896 -6.358 19108 11034 1 13 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.936 0.499 19108 11035 1 13 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.392 0.999 19108 11036 1 13 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.569 -0.025 19108 11037 1 13 . 1 1 36 36 GLU H H 36 8.977 8.977 9.022 -0.045 19108 11038 1 13 . 1 1 37 37 VAL N N 37 121.600 121.600 125.331 -3.731 19108 11039 1 13 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.596 0.563 19108 11040 1 13 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.275 -0.227 19108 11041 1 13 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.147 0.923 19108 11042 1 13 . 1 1 37 37 VAL H H 37 9.271 9.271 8.903 0.368 19108 11043 1 13 . 1 1 38 38 GLU N N 38 125.227 125.227 125.291 -0.064 19108 11044 1 13 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.186 0.032 19108 11045 1 13 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.142 0.110 19108 11046 1 13 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.308 0.619 19108 11047 1 13 . 1 1 38 38 GLU H H 38 9.114 9.114 8.549 0.565 19108 11048 1 13 . 1 1 39 39 ARG N N 39 124.872 124.872 123.006 1.866 19108 11049 1 13 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.155 1.210 19108 11050 1 13 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.761 0.486 19108 11051 1 13 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.678 -0.114 19108 11052 1 13 . 1 1 39 39 ARG H H 39 9.215 9.215 8.621 0.594 19108 11053 1 13 . 1 1 40 40 LEU N N 40 126.510 126.510 126.676 -0.166 19108 11054 1 13 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.321 0.432 19108 11055 1 13 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.969 -0.646 19108 11056 1 13 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.467 -2.624 19108 11057 1 13 . 1 1 40 40 LEU H H 40 8.659 8.659 7.784 0.875 19108 11058 1 13 . 1 1 41 41 ASP N N 41 124.410 124.410 126.468 -2.058 19108 11059 1 13 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.720 0.073 19108 11060 1 13 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.749 -0.531 19108 11061 1 13 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.614 -0.881 19108 11062 1 13 . 1 1 41 41 ASP H H 41 8.575 8.575 8.216 0.359 19108 11063 1 13 . 1 1 42 42 ASN N N 42 123.319 123.319 124.420 -1.101 19108 11064 1 13 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.405 0.015 19108 11065 1 13 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.331 0.842 19108 11066 1 13 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.045 -0.198 19108 11067 1 13 . 1 1 42 42 ASN H H 42 9.048 9.048 8.744 0.304 19108 11068 1 13 . 1 1 43 43 GLY N N 43 106.044 106.044 102.867 3.177 19108 11069 1 13 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.417 -0.023 19108 11070 1 13 . 1 1 43 43 GLY H H 43 8.548 8.548 8.378 0.170 19108 11071 1 13 . 1 1 44 44 THR N N 44 115.893 115.893 120.963 -5.070 19108 11072 1 13 . 1 1 44 44 THR HA H 44 4.524 4.524 4.293 0.231 19108 11073 1 13 . 1 1 44 44 THR CA C 44 61.285 61.285 62.386 -1.101 19108 11074 1 13 . 1 1 44 44 THR CB C 44 70.572 70.572 68.925 1.647 19108 11075 1 13 . 1 1 44 44 THR H H 44 7.833 7.833 7.632 0.201 19108 11076 1 13 . 1 1 45 45 SER N N 45 119.589 119.589 123.342 -3.753 19108 11077 1 13 . 1 1 45 45 SER HA H 45 4.804 4.804 4.837 -0.033 19108 11078 1 13 . 1 1 45 45 SER CA C 45 58.080 58.080 57.880 0.200 19108 11079 1 13 . 1 1 45 45 SER CB C 45 64.265 64.265 64.121 0.145 19108 11080 1 13 . 1 1 45 45 SER H H 45 8.590 8.590 8.556 0.034 19108 11081 1 13 . 1 1 46 46 VAL N N 46 125.827 125.827 122.493 3.334 19108 11082 1 13 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.227 0.066 19108 11083 1 13 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.712 1.131 19108 11084 1 13 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.438 1.079 19108 11085 1 13 . 1 1 46 46 VAL H H 46 9.034 9.034 8.672 0.362 19108 11086 1 13 . 1 1 47 47 LYS N N 47 126.528 126.528 128.525 -1.997 19108 11087 1 13 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.281 0.004 19108 11088 1 13 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.808 0.857 19108 11089 1 13 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.122 -0.330 19108 11090 1 13 . 1 1 47 47 LYS H H 47 8.738 8.738 8.524 0.214 19108 11091 1 13 . 1 1 48 48 MET N N 48 122.645 122.645 126.026 -3.381 19108 11092 1 13 . 1 1 48 48 MET HA H 48 5.195 5.195 4.597 0.598 19108 11093 1 13 . 1 1 48 48 MET CA C 48 54.747 54.747 55.852 -1.105 19108 11094 1 13 . 1 1 48 48 MET CB C 48 32.379 32.379 33.952 -1.573 19108 11095 1 13 . 1 1 48 48 MET H H 48 8.334 8.334 8.260 0.074 19108 11096 1 13 . 1 1 49 49 ASP N N 49 123.713 123.713 120.242 3.471 19108 11097 1 13 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.593 -0.169 19108 11098 1 13 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.744 -0.134 19108 11099 1 13 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.917 -0.883 19108 11100 1 13 . 1 1 49 49 ASP H H 49 8.575 8.575 8.621 -0.046 19108 11101 1 13 . 1 1 50 50 GLN N N 50 117.540 117.540 118.108 -0.568 19108 11102 1 13 . 1 1 50 50 GLN H H 50 9.110 9.110 8.415 0.695 19108 11103 1 13 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.743 0.408 19108 11104 1 13 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.820 -1.986 19108 11105 1 13 . 1 1 51 51 HIS H H 51 8.031 8.031 8.224 -0.193 19108 11106 1 13 . 1 1 52 52 ARG N N 52 117.888 117.888 119.894 -2.006 19108 11107 1 13 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.415 0.822 19108 11108 1 13 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.732 0.323 19108 11109 1 13 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.807 1.247 19108 11110 1 13 . 1 1 52 52 ARG H H 52 7.685 7.685 7.447 0.238 19108 11111 1 13 . 1 1 53 53 GLY N N 53 108.573 108.573 104.871 3.702 19108 11112 1 13 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.021 0.687 19108 11113 1 13 . 1 1 53 53 GLY H H 53 7.529 7.529 6.860 0.669 19108 11114 1 13 . 1 1 54 54 PHE N N 54 113.146 113.146 115.702 -2.556 19108 11115 1 13 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.759 0.236 19108 11116 1 13 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.415 0.441 19108 11117 1 13 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.223 2.140 19108 11118 1 13 . 1 1 54 54 PHE H H 54 8.287 8.287 7.545 0.742 19108 11119 1 13 . 1 1 55 55 LEU N N 55 119.389 119.389 119.614 -0.225 19108 11120 1 13 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.239 0.456 19108 11121 1 13 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.920 0.792 19108 11122 1 13 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.805 0.823 19108 11123 1 13 . 1 1 55 55 LEU H H 55 9.452 9.452 8.733 0.719 19108 11124 1 13 . 1 1 56 56 HIS N N 56 114.176 114.176 115.144 -0.968 19108 11125 1 13 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.146 0.293 19108 11126 1 13 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.920 0.545 19108 11127 1 13 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.793 -1.326 19108 11128 1 13 . 1 1 56 56 HIS H H 56 7.709 7.709 7.956 -0.247 19108 11129 1 13 . 1 1 57 57 ASN N N 57 116.522 116.522 118.587 -2.065 19108 11130 1 13 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.505 -0.090 19108 11131 1 13 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.408 0.776 19108 11132 1 13 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.724 -0.062 19108 11133 1 13 . 1 1 57 57 ASN H H 57 8.684 8.684 7.941 0.743 19108 11134 1 13 . 1 1 58 58 GLN N N 58 122.850 122.850 117.216 5.634 19108 11135 1 13 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.704 0.685 19108 11136 1 13 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.923 -2.071 19108 11137 1 13 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.709 1.673 19108 11138 1 13 . 1 1 58 58 GLN H H 58 9.099 9.099 8.385 0.714 19108 11139 1 13 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.368 -0.068 19108 11140 1 13 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.950 -0.446 19108 11141 1 13 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.556 -0.135 19108 11142 1 13 . 1 1 60 60 LYS N N 60 119.998 119.998 119.382 0.616 19108 11143 1 13 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.507 -0.731 19108 11144 1 13 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.738 -0.437 19108 11145 1 13 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.981 -0.165 19108 11146 1 13 . 1 1 60 60 LYS H H 60 8.344 8.344 8.306 0.038 19108 11147 1 13 . 1 1 61 61 ASN N N 61 119.688 119.688 118.116 1.572 19108 11148 1 13 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.936 -0.481 19108 11149 1 13 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.058 -0.154 19108 11150 1 13 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.252 0.285 19108 11151 1 13 . 1 1 61 61 ASN H H 61 8.643 8.643 8.224 0.419 19108 11152 1 13 . 1 1 62 62 LEU N N 62 124.761 124.761 117.136 7.625 19108 11153 1 13 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.343 -0.409 19108 11154 1 13 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.629 -0.384 19108 11155 1 13 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.772 -0.829 19108 11156 1 13 . 1 1 62 62 LEU H H 62 8.873 8.873 7.723 1.150 19108 11157 1 13 . 1 1 63 63 LEU N N 63 120.312 120.312 114.294 6.018 19108 11158 1 13 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.463 -0.264 19108 11159 1 13 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.774 0.303 19108 11160 1 13 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.414 -0.157 19108 11161 1 13 . 1 1 63 63 LEU H H 63 8.145 8.145 7.737 0.408 19108 11162 1 13 . 1 1 64 64 CYS N N 64 113.898 113.898 119.997 -6.099 19108 11163 1 13 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.522 -0.351 19108 11164 1 13 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.593 -1.809 19108 11165 1 13 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.267 1.451 19108 11166 1 13 . 1 1 64 64 CYS H H 64 7.376 7.376 8.337 -0.961 19108 11167 1 13 . 1 1 65 65 GLY N N 65 108.894 108.894 108.531 0.363 19108 11168 1 13 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.681 0.302 19108 11169 1 13 . 1 1 65 65 GLY H H 65 7.789 7.789 7.700 0.089 19108 11170 1 13 . 1 1 66 66 PHE N N 66 118.711 118.711 118.027 0.684 19108 11171 1 13 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.693 -0.776 19108 11172 1 13 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.361 -0.421 19108 11173 1 13 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.543 -0.275 19108 11174 1 13 . 1 1 66 66 PHE H H 66 7.699 7.699 7.602 0.097 19108 11175 1 13 . 1 1 67 67 TYR N N 67 124.623 124.623 120.760 3.863 19108 11176 1 13 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.241 0.059 19108 11177 1 13 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.966 -1.202 19108 11178 1 13 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.741 -0.588 19108 11179 1 13 . 1 1 67 67 TYR H H 67 8.568 8.568 7.877 0.691 19108 11180 1 13 . 1 1 69 69 ARG N N 69 121.427 121.427 119.535 1.892 19108 11181 1 13 . 1 1 69 69 ARG CA C 69 57.057 57.057 55.456 1.601 19108 11182 1 13 . 1 1 69 69 ARG CB C 69 32.296 32.296 30.705 1.591 19108 11183 1 13 . 1 1 69 69 ARG H H 69 8.313 8.313 7.867 0.446 19108 11184 1 13 . 1 1 70 70 HIS N N 70 128.351 128.351 126.361 1.990 19108 11185 1 13 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.321 0.461 19108 11186 1 13 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.734 -0.018 19108 11187 1 13 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.041 0.735 19108 11188 1 13 . 1 1 70 70 HIS H H 70 9.182 9.182 8.508 0.674 19108 11189 1 13 . 1 1 71 71 ALA N N 71 125.649 125.649 130.300 -4.651 19108 11190 1 13 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.965 -0.608 19108 11191 1 13 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.604 1.178 19108 11192 1 13 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.707 -0.697 19108 11193 1 13 . 1 1 71 71 ALA H H 71 8.968 8.968 8.821 0.147 19108 11194 1 13 . 1 1 72 72 GLU N N 72 119.941 119.941 119.407 0.534 19108 11195 1 13 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.779 -0.802 19108 11196 1 13 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.569 1.387 19108 11197 1 13 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.261 -1.255 19108 11198 1 13 . 1 1 72 72 GLU H H 72 12.692 12.692 8.497 4.195 19108 11199 1 13 . 1 1 73 73 LEU N N 73 114.882 114.882 118.535 -3.653 19108 11200 1 13 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.968 -0.383 19108 11201 1 13 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.888 -1.227 19108 11202 1 13 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.515 -2.270 19108 11203 1 13 . 1 1 73 73 LEU H H 73 6.637 6.637 7.681 -1.044 19108 11204 1 13 . 1 1 74 74 ARG N N 74 117.799 117.799 118.620 -0.821 19108 11205 1 13 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.654 0.388 19108 11206 1 13 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.688 -0.513 19108 11207 1 13 . 1 1 74 74 ARG H H 74 7.556 7.556 7.647 -0.091 19108 11208 1 13 . 1 1 75 75 PHE N N 75 119.783 119.783 118.674 1.109 19108 11209 1 13 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.202 -0.641 19108 11210 1 13 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.598 2.076 19108 11211 1 13 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.055 -1.017 19108 11212 1 13 . 1 1 75 75 PHE H H 75 8.233 8.233 8.093 0.140 19108 11213 1 13 . 1 1 76 76 LEU N N 76 119.526 119.526 121.276 -1.750 19108 11214 1 13 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.641 -0.083 19108 11215 1 13 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.635 0.404 19108 11216 1 13 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.733 -2.717 19108 11217 1 13 . 1 1 76 76 LEU H H 76 7.629 7.629 8.037 -0.408 19108 11218 1 13 . 1 1 77 77 ASP N N 77 118.215 118.215 119.284 -1.069 19108 11219 1 13 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.307 -0.149 19108 11220 1 13 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.234 0.166 19108 11221 1 13 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.815 -0.447 19108 11222 1 13 . 1 1 77 77 ASP H H 77 8.190 8.190 7.746 0.444 19108 11223 1 13 . 1 1 78 78 LEU N N 78 117.496 117.496 119.468 -1.972 19108 11224 1 13 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.320 -0.030 19108 11225 1 13 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.569 -0.584 19108 11226 1 13 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.426 -0.025 19108 11227 1 13 . 1 1 78 78 LEU H H 78 7.252 7.252 7.510 -0.258 19108 11228 1 13 . 1 1 79 79 VAL N N 79 120.915 120.915 120.425 0.490 19108 11229 1 13 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.547 -0.324 19108 11230 1 13 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.339 0.189 19108 11231 1 13 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.694 -0.574 19108 11232 1 13 . 1 1 79 79 VAL H H 79 7.179 7.179 6.734 0.445 19108 11233 1 13 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.336 -0.361 19108 11234 1 13 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.350 1.437 19108 11235 1 13 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.014 -1.206 19108 11236 1 13 . 1 1 81 81 SER N N 81 112.727 112.727 113.556 -0.829 19108 11237 1 13 . 1 1 81 81 SER HA H 81 4.314 4.314 4.328 -0.014 19108 11238 1 13 . 1 1 81 81 SER CA C 81 60.618 60.618 60.629 -0.011 19108 11239 1 13 . 1 1 81 81 SER CB C 81 63.450 63.450 62.505 0.945 19108 11240 1 13 . 1 1 81 81 SER H H 81 7.828 7.828 7.650 0.178 19108 11241 1 13 . 1 1 82 82 LEU N N 82 120.918 120.918 120.766 0.152 19108 11242 1 13 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.617 -0.743 19108 11243 1 13 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.296 1.196 19108 11244 1 13 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.257 -2.046 19108 11245 1 13 . 1 1 82 82 LEU H H 82 7.912 7.912 7.260 0.652 19108 11246 1 13 . 1 1 83 83 GLN N N 83 111.397 111.397 114.703 -3.306 19108 11247 1 13 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.922 -0.114 19108 11248 1 13 . 1 1 83 83 GLN CA C 83 56.166 56.166 57.032 -0.866 19108 11249 1 13 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.730 -0.062 19108 11250 1 13 . 1 1 83 83 GLN H H 83 7.458 7.458 7.541 -0.083 19108 11251 1 13 . 1 1 84 84 LEU N N 84 118.520 118.520 120.168 -1.648 19108 11252 1 13 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.032 -0.313 19108 11253 1 13 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.360 -1.618 19108 11254 1 13 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.738 -2.493 19108 11255 1 13 . 1 1 84 84 LEU H H 84 8.736 8.736 7.963 0.773 19108 11256 1 13 . 1 1 85 85 ASP N N 85 126.187 126.187 125.298 0.889 19108 11257 1 13 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.881 0.002 19108 11258 1 13 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.475 -0.129 19108 11259 1 13 . 1 1 85 85 ASP CB C 85 42.948 42.948 40.925 2.023 19108 11260 1 13 . 1 1 85 85 ASP H H 85 8.415 8.415 8.187 0.228 19108 11261 1 13 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.373 0.555 19108 11262 1 13 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.712 -0.074 19108 11263 1 13 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.881 -0.595 19108 11264 1 13 . 1 1 87 87 ALA N N 87 121.030 121.030 121.438 -0.408 19108 11265 1 13 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.049 0.369 19108 11266 1 13 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.858 -1.687 19108 11267 1 13 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.616 0.733 19108 11268 1 13 . 1 1 87 87 ALA H H 87 8.504 8.504 7.644 0.860 19108 11269 1 13 . 1 1 88 88 GLN N N 88 119.601 119.601 117.739 1.862 19108 11270 1 13 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.346 0.176 19108 11271 1 13 . 1 1 88 88 GLN CA C 88 53.434 53.434 55.965 -2.531 19108 11272 1 13 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.312 -0.263 19108 11273 1 13 . 1 1 88 88 GLN H H 88 8.125 8.125 8.303 -0.178 19108 11274 1 13 . 1 1 89 89 ILE N N 89 118.195 118.195 115.346 2.849 19108 11275 1 13 . 1 1 89 89 ILE HA H 89 4.969 4.969 5.177 -0.208 19108 11276 1 13 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.960 -0.419 19108 11277 1 13 . 1 1 89 89 ILE CB C 89 39.252 39.252 40.846 -1.593 19108 11278 1 13 . 1 1 89 89 ILE H H 89 8.099 8.099 8.233 -0.134 19108 11279 1 13 . 1 1 90 90 TYR N N 90 122.421 122.421 121.323 1.098 19108 11280 1 13 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.014 0.347 19108 11281 1 13 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.597 -1.557 19108 11282 1 13 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.608 -0.782 19108 11283 1 13 . 1 1 90 90 TYR H H 90 8.892 8.892 8.473 0.419 19108 11284 1 13 . 1 1 91 91 ARG N N 91 121.043 121.043 123.956 -2.913 19108 11285 1 13 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.534 0.709 19108 11286 1 13 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.638 -1.103 19108 11287 1 13 . 1 1 91 91 ARG CB C 91 33.132 33.132 31.268 1.864 19108 11288 1 13 . 1 1 91 91 ARG H H 91 9.327 9.327 8.813 0.514 19108 11289 1 13 . 1 1 92 92 VAL N N 92 132.287 132.287 128.777 3.510 19108 11290 1 13 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.872 0.052 19108 11291 1 13 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.038 -1.133 19108 11292 1 13 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.669 0.185 19108 11293 1 13 . 1 1 92 92 VAL H H 92 9.668 9.668 8.242 1.426 19108 11294 1 13 . 1 1 93 93 THR N N 93 124.468 124.468 124.555 -0.087 19108 11295 1 13 . 1 1 93 93 THR HA H 93 5.264 5.264 4.789 0.475 19108 11296 1 13 . 1 1 93 93 THR CA C 93 61.616 61.616 61.888 -0.272 19108 11297 1 13 . 1 1 93 93 THR CB C 93 70.082 70.082 69.472 0.610 19108 11298 1 13 . 1 1 93 93 THR H H 93 9.381 9.381 8.960 0.421 19108 11299 1 13 . 1 1 94 94 TRP N N 94 124.491 124.491 127.998 -3.507 19108 11300 1 13 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.019 0.647 19108 11301 1 13 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.936 -2.731 19108 11302 1 13 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.839 2.829 19108 11303 1 13 . 1 1 94 94 TRP H H 94 9.071 9.071 9.274 -0.203 19108 11304 1 13 . 1 1 95 95 PHE N N 95 122.179 122.179 122.724 -0.545 19108 11305 1 13 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.000 0.670 19108 11306 1 13 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.230 -0.456 19108 11307 1 13 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.554 -1.105 19108 11308 1 13 . 1 1 95 95 PHE H H 95 9.578 9.578 8.780 0.798 19108 11309 1 13 . 1 1 96 96 ILE N N 96 125.072 125.072 122.390 2.682 19108 11310 1 13 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.256 0.717 19108 11311 1 13 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.806 -1.379 19108 11312 1 13 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.819 4.255 19108 11313 1 13 . 1 1 96 96 ILE H H 96 9.816 9.816 8.426 1.390 19108 11314 1 13 . 1 1 97 97 SER N N 97 124.020 124.020 117.967 6.053 19108 11315 1 13 . 1 1 97 97 SER HA H 97 3.623 3.623 4.729 -1.106 19108 11316 1 13 . 1 1 97 97 SER CA C 97 61.750 61.750 60.133 1.617 19108 11317 1 13 . 1 1 97 97 SER CB C 97 63.711 63.711 64.146 -0.435 19108 11318 1 13 . 1 1 97 97 SER H H 97 9.156 9.156 8.473 0.683 19108 11319 1 13 . 1 1 98 98 TRP N N 98 114.829 114.829 122.641 -7.812 19108 11320 1 13 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.227 0.112 19108 11321 1 13 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.095 -2.424 19108 11322 1 13 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.114 2.637 19108 11323 1 13 . 1 1 98 98 TRP H H 98 6.619 6.619 7.681 -1.062 19108 11324 1 13 . 1 1 99 99 SER N N 99 115.444 115.444 119.007 -3.563 19108 11325 1 13 . 1 1 99 99 SER CA C 99 58.045 58.045 57.628 0.417 19108 11326 1 13 . 1 1 99 99 SER CB C 99 61.927 61.927 62.770 -0.843 19108 11327 1 13 . 1 1 99 99 SER H H 99 8.590 8.590 8.266 0.324 19108 11328 1 13 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.473 -1.548 19108 11329 1 13 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.491 2.305 19108 11330 1 13 . 1 1 101 101 CYS N N 101 121.768 121.768 114.158 7.610 19108 11331 1 13 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.110 0.549 19108 11332 1 13 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.255 0.934 19108 11333 1 13 . 1 1 101 101 CYS H H 101 8.686 8.686 8.357 0.329 19108 11334 1 13 . 1 1 102 102 PHE N N 102 115.031 115.031 122.717 -7.686 19108 11335 1 13 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.988 1.972 19108 11336 1 13 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.639 -2.482 19108 11337 1 13 . 1 1 102 102 PHE H H 102 9.318 9.318 7.817 1.501 19108 11338 1 13 . 1 1 103 103 SER N N 103 119.552 119.552 122.865 -3.313 19108 11339 1 13 . 1 1 103 103 SER HA H 103 3.713 3.713 4.089 -0.376 19108 11340 1 13 . 1 1 103 103 SER CA C 103 63.368 63.368 61.421 1.947 19108 11341 1 13 . 1 1 103 103 SER CB C 103 60.539 60.539 62.843 -2.304 19108 11342 1 13 . 1 1 103 103 SER H H 103 10.858 10.858 8.534 2.324 19108 11343 1 13 . 1 1 104 104 TRP N N 104 117.909 117.909 121.151 -3.242 19108 11344 1 13 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.889 -1.113 19108 11345 1 13 . 1 1 104 104 TRP CA C 104 59.214 59.214 57.930 1.284 19108 11346 1 13 . 1 1 104 104 TRP CB C 104 27.886 27.886 30.112 -2.226 19108 11347 1 13 . 1 1 104 104 TRP H H 104 7.880 7.880 8.553 -0.673 19108 11348 1 13 . 1 1 105 105 GLY N N 105 106.359 106.359 109.044 -2.685 19108 11349 1 13 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.082 -1.001 19108 11350 1 13 . 1 1 105 105 GLY H H 105 7.468 7.468 8.916 -1.448 19108 11351 1 13 . 1 1 106 106 CYS N N 106 120.359 120.359 121.338 -0.979 19108 11352 1 13 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.845 -0.986 19108 11353 1 13 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.913 5.189 19108 11354 1 13 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.120 2.598 19108 11355 1 13 . 1 1 106 106 CYS H H 106 7.366 7.366 8.463 -1.097 19108 11356 1 13 . 1 1 107 107 ALA N N 107 119.725 119.725 122.416 -2.691 19108 11357 1 13 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.042 -0.177 19108 11358 1 13 . 1 1 107 107 ALA CA C 107 56.934 56.934 54.997 1.937 19108 11359 1 13 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.065 0.378 19108 11360 1 13 . 1 1 107 107 ALA H H 107 8.719 8.719 8.719 -0.000 19108 11361 1 13 . 1 1 108 108 GLY N N 108 103.829 103.829 107.566 -3.737 19108 11362 1 13 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.175 -0.281 19108 11363 1 13 . 1 1 108 108 GLY H H 108 8.555 8.555 7.959 0.596 19108 11364 1 13 . 1 1 109 109 GLU N N 109 123.162 123.162 122.383 0.779 19108 11365 1 13 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.173 0.093 19108 11366 1 13 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.354 -0.062 19108 11367 1 13 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.562 0.820 19108 11368 1 13 . 1 1 109 109 GLU H H 109 8.023 8.023 7.807 0.216 19108 11369 1 13 . 1 1 110 110 VAL N N 110 121.866 121.866 119.610 2.256 19108 11370 1 13 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.739 -0.040 19108 11371 1 13 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.361 0.682 19108 11372 1 13 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.569 -0.563 19108 11373 1 13 . 1 1 110 110 VAL H H 110 8.942 8.942 7.921 1.021 19108 11374 1 13 . 1 1 111 111 ARG N N 111 120.587 120.587 120.662 -0.075 19108 11375 1 13 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.743 0.043 19108 11376 1 13 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.950 0.131 19108 11377 1 13 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.968 -0.793 19108 11378 1 13 . 1 1 111 111 ARG H H 111 8.653 8.653 8.125 0.528 19108 11379 1 13 . 1 1 112 112 ALA N N 112 120.687 120.687 121.188 -0.501 19108 11380 1 13 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.010 0.124 19108 11381 1 13 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.035 0.383 19108 11382 1 13 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.068 -0.077 19108 11383 1 13 . 1 1 112 112 ALA H H 112 7.875 7.875 7.911 -0.036 19108 11384 1 13 . 1 1 113 113 PHE N N 113 118.950 118.950 119.729 -0.779 19108 11385 1 13 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.110 0.227 19108 11386 1 13 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.575 -0.199 19108 11387 1 13 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.159 0.228 19108 11388 1 13 . 1 1 113 113 PHE H H 113 8.139 8.139 7.716 0.423 19108 11389 1 13 . 1 1 114 114 LEU N N 114 120.595 120.595 120.722 -0.127 19108 11390 1 13 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.819 -0.019 19108 11391 1 13 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.358 -1.224 19108 11392 1 13 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.914 -1.005 19108 11393 1 13 . 1 1 114 114 LEU H H 114 8.639 8.639 8.608 0.031 19108 11394 1 13 . 1 1 115 115 GLN N N 115 117.666 117.666 116.291 1.375 19108 11395 1 13 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.943 0.080 19108 11396 1 13 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.388 -0.002 19108 11397 1 13 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.540 -0.002 19108 11398 1 13 . 1 1 115 115 GLN H H 115 8.167 8.167 8.361 -0.194 19108 11399 1 13 . 1 1 116 116 GLU N N 116 115.380 115.380 116.295 -0.915 19108 11400 1 13 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.290 0.031 19108 11401 1 13 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.437 0.625 19108 11402 1 13 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.040 -0.325 19108 11403 1 13 . 1 1 116 116 GLU H H 116 7.448 7.448 7.413 0.035 19108 11404 1 13 . 1 1 117 117 ASN N N 117 119.831 119.831 117.872 1.959 19108 11405 1 13 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.026 0.039 19108 11406 1 13 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.464 -0.279 19108 11407 1 13 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.391 -1.145 19108 11408 1 13 . 1 1 117 117 ASN H H 117 7.632 7.632 8.110 -0.478 19108 11409 1 13 . 1 1 118 118 THR N N 118 111.041 111.041 114.759 -3.718 19108 11410 1 13 . 1 1 118 118 THR HA H 118 4.317 4.317 4.083 0.234 19108 11411 1 13 . 1 1 118 118 THR CA C 118 64.081 64.081 63.652 0.429 19108 11412 1 13 . 1 1 118 118 THR CB C 118 68.767 68.767 68.381 0.386 19108 11413 1 13 . 1 1 118 118 THR H H 118 8.054 8.054 7.800 0.254 19108 11414 1 13 . 1 1 119 119 HIS N N 119 120.403 120.403 116.801 3.602 19108 11415 1 13 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.485 -0.196 19108 11416 1 13 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.977 0.624 19108 11417 1 13 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.489 1.831 19108 11418 1 13 . 1 1 119 119 HIS H H 119 9.248 9.248 8.277 0.971 19108 11419 1 13 . 1 1 120 120 VAL N N 120 120.001 120.001 112.711 7.290 19108 11420 1 13 . 1 1 120 120 VAL HA H 120 4.526 4.526 5.094 -0.568 19108 11421 1 13 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.777 3.113 19108 11422 1 13 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.653 -1.658 19108 11423 1 13 . 1 1 120 120 VAL H H 120 7.379 7.379 7.135 0.244 19108 11424 1 13 . 1 1 121 121 ARG N N 121 125.312 125.312 125.360 -0.048 19108 11425 1 13 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.458 0.352 19108 11426 1 13 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.243 -1.176 19108 11427 1 13 . 1 1 121 121 ARG CB C 121 30.580 30.580 30.041 0.539 19108 11428 1 13 . 1 1 121 121 ARG H H 121 8.775 8.775 8.187 0.588 19108 11429 1 13 . 1 1 122 122 LEU N N 122 125.483 125.483 127.621 -2.138 19108 11430 1 13 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.506 0.654 19108 11431 1 13 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.656 -0.355 19108 11432 1 13 . 1 1 122 122 LEU CB C 122 46.672 46.672 42.470 4.202 19108 11433 1 13 . 1 1 122 122 LEU H H 122 9.345 9.345 8.241 1.104 19108 11434 1 13 . 1 1 123 123 ARG N N 123 127.748 127.748 126.743 1.005 19108 11435 1 13 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.395 0.341 19108 11436 1 13 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.551 -0.384 19108 11437 1 13 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.160 0.652 19108 11438 1 13 . 1 1 123 123 ARG H H 123 9.053 9.053 8.528 0.525 19108 11439 1 13 . 1 1 124 124 ILE N N 124 123.665 123.665 123.883 -0.218 19108 11440 1 13 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.391 0.051 19108 11441 1 13 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.364 0.395 19108 11442 1 13 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.764 1.129 19108 11443 1 13 . 1 1 124 124 ILE H H 124 9.019 9.019 8.643 0.376 19108 11444 1 13 . 1 1 125 125 PHE N N 125 126.320 126.320 126.658 -0.338 19108 11445 1 13 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.430 -0.265 19108 11446 1 13 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.582 0.332 19108 11447 1 13 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.263 0.556 19108 11448 1 13 . 1 1 125 125 PHE H H 125 9.359 9.359 8.111 1.248 19108 11449 1 13 . 1 1 126 126 ALA N N 126 124.526 124.526 127.601 -3.075 19108 11450 1 13 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.905 0.911 19108 11451 1 13 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.223 -2.353 19108 11452 1 13 . 1 1 126 126 ALA CB C 126 20.334 20.334 18.976 1.358 19108 11453 1 13 . 1 1 126 126 ALA H H 126 9.091 9.091 8.416 0.675 19108 11454 1 13 . 1 1 127 127 ALA N N 127 126.272 126.272 128.619 -2.347 19108 11455 1 13 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.505 0.246 19108 11456 1 13 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.771 1.697 19108 11457 1 13 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.788 -0.183 19108 11458 1 13 . 1 1 127 127 ALA H H 127 9.049 9.049 9.254 -0.205 19108 11459 1 13 . 1 1 128 128 ARG N N 128 108.570 108.570 117.769 -9.199 19108 11460 1 13 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.453 -0.039 19108 11461 1 13 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.338 3.868 19108 11462 1 13 . 1 1 128 128 ARG H H 128 6.741 6.741 7.987 -1.246 19108 11463 1 13 . 1 1 129 129 ILE N N 129 121.285 121.285 122.064 -0.779 19108 11464 1 13 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.386 -0.095 19108 11465 1 13 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.342 0.525 19108 11466 1 13 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.227 -0.398 19108 11467 1 13 . 1 1 129 129 ILE H H 129 8.340 8.340 8.258 0.082 19108 11468 1 13 . 1 1 130 130 TYR N N 130 130.143 130.143 124.067 6.076 19108 11469 1 13 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.499 0.836 19108 11470 1 13 . 1 1 130 130 TYR CA C 130 56.926 56.926 58.238 -1.312 19108 11471 1 13 . 1 1 130 130 TYR CB C 130 38.163 38.163 42.192 -4.029 19108 11472 1 13 . 1 1 130 130 TYR H H 130 8.870 8.870 9.243 -0.373 19108 11473 1 13 . 1 1 131 131 ASP N N 131 123.662 123.662 121.967 1.695 19108 11474 1 13 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.014 -1.347 19108 11475 1 13 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.021 0.692 19108 11476 1 13 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.031 -4.130 19108 11477 1 13 . 1 1 131 131 ASP H H 131 8.123 8.123 8.729 -0.606 19108 11478 1 13 . 1 1 132 132 TYR N N 132 116.852 116.852 121.175 -4.323 19108 11479 1 13 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.768 -0.853 19108 11480 1 13 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.109 0.359 19108 11481 1 13 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.652 -0.615 19108 11482 1 13 . 1 1 132 132 TYR H H 132 6.448 6.448 8.920 -2.472 19108 11483 1 13 . 1 1 133 133 ASP N N 133 116.930 116.930 117.814 -0.884 19108 11484 1 13 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.227 -1.062 19108 11485 1 13 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.822 1.960 19108 11486 1 13 . 1 1 133 133 ASP H H 133 7.005 7.005 7.701 -0.696 19108 11487 1 13 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.683 -0.580 19108 11488 1 13 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.768 -0.067 19108 11489 1 13 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.929 0.161 19108 11490 1 13 . 1 1 135 135 LEU N N 135 120.252 120.252 121.627 -1.375 19108 11491 1 13 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.020 0.678 19108 11492 1 13 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.356 -2.975 19108 11493 1 13 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.660 -1.916 19108 11494 1 13 . 1 1 135 135 LEU H H 135 8.456 8.456 8.014 0.442 19108 11495 1 13 . 1 1 136 136 TYR N N 136 117.432 117.432 117.275 0.157 19108 11496 1 13 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.103 -0.042 19108 11497 1 13 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.380 1.678 19108 11498 1 13 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.033 0.547 19108 11499 1 13 . 1 1 136 136 TYR H H 136 8.028 8.028 7.923 0.105 19108 11500 1 13 . 1 1 137 137 LYS N N 137 122.000 122.000 119.591 2.409 19108 11501 1 13 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.242 1.056 19108 11502 1 13 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.897 -1.099 19108 11503 1 13 . 1 1 137 137 LYS H H 137 7.503 7.503 7.596 -0.093 19108 11504 1 13 . 1 1 138 138 GLU N N 138 121.833 121.833 118.883 2.950 19108 11505 1 13 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.695 1.146 19108 11506 1 13 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.252 -1.783 19108 11507 1 13 . 1 1 138 138 GLU H H 138 8.752 8.752 7.702 1.050 19108 11508 1 13 . 1 1 139 139 ALA N N 139 119.592 119.592 123.081 -3.489 19108 11509 1 13 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.077 -0.231 19108 11510 1 13 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.024 0.116 19108 11511 1 13 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.416 1.839 19108 11512 1 13 . 1 1 139 139 ALA H H 139 7.682 7.682 7.771 -0.089 19108 11513 1 13 . 1 1 140 140 LEU N N 140 116.268 116.268 119.328 -3.060 19108 11514 1 13 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.072 0.121 19108 11515 1 13 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.659 -0.564 19108 11516 1 13 . 1 1 140 140 LEU H H 140 7.175 7.175 7.589 -0.414 19108 11517 1 13 . 1 1 141 141 GLN N N 141 117.550 117.550 117.867 -0.317 19108 11518 1 13 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.885 -0.166 19108 11519 1 13 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.794 0.257 19108 11520 1 13 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.225 -0.631 19108 11521 1 13 . 1 1 141 141 GLN H H 141 8.322 8.322 7.674 0.648 19108 11522 1 13 . 1 1 142 142 MET N N 142 118.520 118.520 118.939 -0.419 19108 11523 1 13 . 1 1 142 142 MET HA H 142 4.135 4.135 4.032 0.103 19108 11524 1 13 . 1 1 142 142 MET CA C 142 59.051 59.051 58.641 0.410 19108 11525 1 13 . 1 1 142 142 MET CB C 142 33.170 33.170 32.323 0.847 19108 11526 1 13 . 1 1 142 142 MET H H 142 8.241 8.241 7.827 0.414 19108 11527 1 13 . 1 1 143 143 LEU N N 143 118.659 118.659 117.542 1.117 19108 11528 1 13 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.141 0.151 19108 11529 1 13 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.377 0.738 19108 11530 1 13 . 1 1 143 143 LEU CB C 143 41.377 41.377 42.154 -0.777 19108 11531 1 13 . 1 1 143 143 LEU H H 143 7.932 7.932 7.431 0.501 19108 11532 1 13 . 1 1 144 144 ARG N N 144 121.294 121.294 121.128 0.166 19108 11533 1 13 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.941 0.485 19108 11534 1 13 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.099 -0.110 19108 11535 1 13 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.382 -1.274 19108 11536 1 13 . 1 1 144 144 ARG H H 144 7.968 7.968 8.193 -0.225 19108 11537 1 13 . 1 1 145 145 ASP N N 145 122.553 122.553 118.658 3.895 19108 11538 1 13 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.518 -0.089 19108 11539 1 13 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.851 0.727 19108 11540 1 13 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.240 -0.650 19108 11541 1 13 . 1 1 145 145 ASP H H 145 8.868 8.868 7.893 0.975 19108 11542 1 13 . 1 1 146 146 ALA N N 146 120.102 120.102 120.487 -0.385 19108 11543 1 13 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.327 0.091 19108 11544 1 13 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.764 -0.730 19108 11545 1 13 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.437 -0.142 19108 11546 1 13 . 1 1 146 146 ALA H H 146 7.737 7.737 7.871 -0.134 19108 11547 1 13 . 1 1 147 147 GLY N N 147 105.039 105.039 105.979 -0.940 19108 11548 1 13 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.883 -0.019 19108 11549 1 13 . 1 1 147 147 GLY H H 147 7.966 7.966 7.554 0.412 19108 11550 1 13 . 1 1 148 148 ALA N N 148 124.181 124.181 124.277 -0.096 19108 11551 1 13 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.058 0.631 19108 11552 1 13 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.480 -1.021 19108 11553 1 13 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.493 -1.014 19108 11554 1 13 . 1 1 148 148 ALA H H 148 8.051 8.051 7.804 0.247 19108 11555 1 13 . 1 1 149 149 GLN N N 149 122.185 122.185 119.048 3.137 19108 11556 1 13 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.542 -0.103 19108 11557 1 13 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.916 0.039 19108 11558 1 13 . 1 1 149 149 GLN CB C 149 29.421 29.421 31.041 -1.620 19108 11559 1 13 . 1 1 149 149 GLN H H 149 7.953 7.953 7.833 0.120 19108 11560 1 13 . 1 1 150 150 VAL N N 150 127.399 127.399 121.259 6.140 19108 11561 1 13 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.897 -0.145 19108 11562 1 13 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.044 1.395 19108 11563 1 13 . 1 1 150 150 VAL CB C 150 33.178 33.178 31.910 1.268 19108 11564 1 13 . 1 1 150 150 VAL H H 150 8.658 8.658 8.456 0.202 19108 11565 1 13 . 1 1 151 151 SER N N 151 120.616 120.616 121.204 -0.588 19108 11566 1 13 . 1 1 151 151 SER HA H 151 5.179 5.179 4.778 0.401 19108 11567 1 13 . 1 1 151 151 SER CA C 151 56.981 56.981 57.360 -0.379 19108 11568 1 13 . 1 1 151 151 SER CB C 151 66.538 66.538 65.714 0.824 19108 11569 1 13 . 1 1 151 151 SER H H 151 8.737 8.737 8.120 0.617 19108 11570 1 13 . 1 1 152 152 ILE N N 152 123.180 123.180 122.655 0.525 19108 11571 1 13 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.561 0.586 19108 11572 1 13 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.556 -4.038 19108 11573 1 13 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.756 -1.676 19108 11574 1 13 . 1 1 152 152 ILE H H 152 8.672 8.672 8.473 0.199 19108 11575 1 13 . 1 1 153 153 MET N N 153 123.477 123.477 128.432 -4.955 19108 11576 1 13 . 1 1 153 153 MET HA H 153 3.886 3.886 4.401 -0.515 19108 11577 1 13 . 1 1 153 153 MET CA C 153 59.053 59.053 56.325 2.728 19108 11578 1 13 . 1 1 153 153 MET CB C 153 34.793 34.793 33.115 1.678 19108 11579 1 13 . 1 1 153 153 MET H H 153 8.314 8.314 8.440 -0.126 19108 11580 1 13 . 1 1 154 154 THR N N 154 117.621 117.621 115.527 2.094 19108 11581 1 13 . 1 1 154 154 THR HA H 154 4.951 4.951 4.643 0.308 19108 11582 1 13 . 1 1 154 154 THR CA C 154 60.436 60.436 59.854 0.582 19108 11583 1 13 . 1 1 154 154 THR CB C 154 72.370 72.370 71.414 0.956 19108 11584 1 13 . 1 1 154 154 THR H H 154 9.630 9.630 8.072 1.558 19108 11585 1 13 . 1 1 155 155 TYR N N 155 121.751 121.751 125.082 -3.331 19108 11586 1 13 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.115 -0.016 19108 11587 1 13 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.764 1.675 19108 11588 1 13 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.423 0.863 19108 11589 1 13 . 1 1 155 155 TYR H H 155 9.769 9.769 9.092 0.677 19108 11590 1 13 . 1 1 156 156 ASP N N 156 115.555 115.555 117.173 -1.618 19108 11591 1 13 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.943 0.165 19108 11592 1 13 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.748 0.512 19108 11593 1 13 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.373 0.245 19108 11594 1 13 . 1 1 156 156 ASP H H 156 8.230 8.230 8.630 -0.400 19108 11595 1 13 . 1 1 157 157 GLU N N 157 117.678 117.678 119.644 -1.966 19108 11596 1 13 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.133 -0.263 19108 11597 1 13 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.934 1.573 19108 11598 1 13 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.125 1.923 19108 11599 1 13 . 1 1 157 157 GLU H H 157 7.470 7.470 7.656 -0.186 19108 11600 1 13 . 1 1 158 158 PHE N N 158 119.869 119.869 120.073 -0.204 19108 11601 1 13 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.066 -0.237 19108 11602 1 13 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.447 1.329 19108 11603 1 13 . 1 1 158 158 PHE CB C 158 39.907 39.907 39.052 0.855 19108 11604 1 13 . 1 1 158 158 PHE H H 158 8.077 8.077 8.529 -0.452 19108 11605 1 13 . 1 1 159 159 LYS N N 159 118.859 118.859 120.063 -1.204 19108 11606 1 13 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.940 -0.023 19108 11607 1 13 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.853 -0.622 19108 11608 1 13 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.491 -0.528 19108 11609 1 13 . 1 1 159 159 LYS H H 159 8.273 8.273 7.579 0.694 19108 11610 1 13 . 1 1 160 160 HIS N N 160 115.889 115.889 118.899 -3.010 19108 11611 1 13 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.277 -0.118 19108 11612 1 13 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.230 0.751 19108 11613 1 13 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.503 -1.573 19108 11614 1 13 . 1 1 160 160 HIS H H 160 7.695 7.695 7.790 -0.095 19108 11615 1 13 . 1 1 161 161 CYS N N 161 118.188 118.188 117.943 0.245 19108 11616 1 13 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.107 0.682 19108 11617 1 13 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.478 1.316 19108 11618 1 13 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.357 1.529 19108 11619 1 13 . 1 1 161 161 CYS H H 161 7.885 7.885 7.814 0.071 19108 11620 1 13 . 1 1 162 162 TRP N N 162 122.741 122.741 121.683 1.058 19108 11621 1 13 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.362 0.402 19108 11622 1 13 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.385 0.332 19108 11623 1 13 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.718 -0.126 19108 11624 1 13 . 1 1 162 162 TRP H H 162 8.040 8.040 7.447 0.593 19108 11625 1 13 . 1 1 163 163 ASP N N 163 113.796 113.796 120.177 -6.381 19108 11626 1 13 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.335 0.791 19108 11627 1 13 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.784 1.145 19108 11628 1 13 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.910 0.625 19108 11629 1 13 . 1 1 163 163 ASP H H 163 8.319 8.319 7.773 0.546 19108 11630 1 13 . 1 1 164 164 THR N N 164 112.008 112.008 115.500 -3.492 19108 11631 1 13 . 1 1 164 164 THR HA H 164 3.803 3.803 3.877 -0.074 19108 11632 1 13 . 1 1 164 164 THR CA C 164 65.164 65.164 65.114 0.050 19108 11633 1 13 . 1 1 164 164 THR CB C 164 70.171 70.171 69.023 1.148 19108 11634 1 13 . 1 1 164 164 THR H H 164 7.494 7.494 7.934 -0.440 19108 11635 1 13 . 1 1 165 165 PHE N N 165 115.079 115.079 117.259 -2.180 19108 11636 1 13 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.548 -0.013 19108 11637 1 13 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.235 0.734 19108 11638 1 13 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.387 -0.019 19108 11639 1 13 . 1 1 165 165 PHE H H 165 8.235 8.235 7.266 0.969 19108 11640 1 13 . 1 1 166 166 VAL N N 166 118.432 118.432 119.995 -1.563 19108 11641 1 13 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.411 -0.386 19108 11642 1 13 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.215 0.786 19108 11643 1 13 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.486 -4.131 19108 11644 1 13 . 1 1 166 166 VAL H H 166 6.838 6.838 6.849 -0.011 19108 11645 1 13 . 1 1 167 167 ASP N N 167 126.263 126.263 127.418 -1.155 19108 11646 1 13 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.521 -0.673 19108 11647 1 13 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.488 -2.858 19108 11648 1 13 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.179 -1.099 19108 11649 1 13 . 1 1 167 167 ASP H H 167 8.498 8.498 8.492 0.006 19108 11650 1 13 . 1 1 168 168 HIS N N 168 119.890 119.890 116.467 3.423 19108 11651 1 13 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.224 0.122 19108 11652 1 13 . 1 1 168 168 HIS CA C 168 56.575 56.575 56.972 -0.397 19108 11653 1 13 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.389 3.073 19108 11654 1 13 . 1 1 168 168 HIS H H 168 6.977 6.977 7.779 -0.802 19108 11655 1 13 . 1 1 169 169 GLN N N 169 119.254 119.254 114.054 5.200 19108 11656 1 13 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.027 -0.304 19108 11657 1 13 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.825 -0.056 19108 11658 1 13 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.682 -1.161 19108 11659 1 13 . 1 1 169 169 GLN H H 169 9.126 9.126 8.668 0.458 19108 11660 1 13 . 1 1 170 170 GLY N N 170 111.911 111.911 102.015 9.896 19108 11661 1 13 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.105 0.720 19108 11662 1 13 . 1 1 170 170 GLY H H 170 11.556 11.556 6.029 5.527 19108 11663 1 13 . 1 1 171 171 CYS N N 171 123.390 123.390 120.953 2.437 19108 11664 1 13 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.967 -0.251 19108 11665 1 13 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.356 1.429 19108 11666 1 13 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.914 -2.010 19108 11667 1 13 . 1 1 171 171 CYS H H 171 8.044 8.044 7.339 0.705 19108 11668 1 13 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.767 -0.149 19108 11669 1 13 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.664 -0.806 19108 11670 1 13 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.352 0.177 19108 11671 1 13 . 1 1 173 173 PHE N N 173 121.101 121.101 124.091 -2.990 19108 11672 1 13 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.057 -1.401 19108 11673 1 13 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.508 1.033 19108 11674 1 13 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.723 0.023 19108 11675 1 13 . 1 1 173 173 PHE H H 173 8.842 8.842 7.951 0.891 19108 11676 1 13 . 1 1 174 174 GLN N N 174 129.493 129.493 126.041 3.452 19108 11677 1 13 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.233 0.084 19108 11678 1 13 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.956 -1.161 19108 11679 1 13 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.031 1.066 19108 11680 1 13 . 1 1 174 174 GLN H H 174 7.250 7.250 7.753 -0.502 19108 11681 1 13 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.749 -0.835 19108 11682 1 13 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.418 0.005 19108 11683 1 13 . 1 1 176 176 TRP N N 176 118.133 118.133 123.721 -5.588 19108 11684 1 13 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.754 -0.121 19108 11685 1 13 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.497 0.665 19108 11686 1 13 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.222 -0.333 19108 11687 1 13 . 1 1 176 176 TRP H H 176 5.591 5.591 6.632 -1.041 19108 11688 1 13 . 1 1 177 177 ASP N N 177 121.814 121.814 122.323 -0.509 19108 11689 1 13 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.687 -0.290 19108 11690 1 13 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.013 1.159 19108 11691 1 13 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.595 0.080 19108 11692 1 13 . 1 1 177 177 ASP H H 177 8.848 8.848 8.538 0.310 19108 11693 1 13 . 1 1 178 178 GLY N N 178 111.875 111.875 111.668 0.207 19108 11694 1 13 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.287 0.379 19108 11695 1 13 . 1 1 178 178 GLY H H 178 8.987 8.987 8.225 0.762 19108 11696 1 13 . 1 1 179 179 LEU N N 179 121.470 121.470 123.057 -1.587 19108 11697 1 13 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.303 0.185 19108 11698 1 13 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.284 2.498 19108 11699 1 13 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.884 0.345 19108 11700 1 13 . 1 1 179 179 LEU H H 179 7.148 7.148 7.868 -0.720 19108 11701 1 13 . 1 1 180 180 ASP N N 180 119.476 119.476 117.854 1.622 19108 11702 1 13 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.391 0.101 19108 11703 1 13 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.027 0.912 19108 11704 1 13 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.896 0.817 19108 11705 1 13 . 1 1 180 180 ASP H H 180 8.874 8.874 8.886 -0.012 19108 11706 1 13 . 1 1 181 181 GLU N N 181 122.379 122.379 121.824 0.555 19108 11707 1 13 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.917 0.095 19108 11708 1 13 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.946 0.024 19108 11709 1 13 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.253 -0.327 19108 11710 1 13 . 1 1 181 181 GLU H H 181 8.712 8.712 8.347 0.365 19108 11711 1 13 . 1 1 182 182 HIS N N 182 118.572 118.572 117.970 0.602 19108 11712 1 13 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.370 0.384 19108 11713 1 13 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.772 -0.743 19108 11714 1 13 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.776 -0.928 19108 11715 1 13 . 1 1 182 182 HIS H H 182 8.854 8.854 8.786 0.068 19108 11716 1 13 . 1 1 183 183 SER N N 183 116.329 116.329 115.475 0.854 19108 11717 1 13 . 1 1 183 183 SER HA H 183 4.554 4.554 4.236 0.318 19108 11718 1 13 . 1 1 183 183 SER CA C 183 63.604 63.604 62.172 1.432 19108 11719 1 13 . 1 1 183 183 SER CB C 183 65.216 65.216 62.455 2.761 19108 11720 1 13 . 1 1 183 183 SER H H 183 8.665 8.665 8.123 0.542 19108 11721 1 13 . 1 1 184 184 GLN N N 184 122.215 122.215 121.237 0.978 19108 11722 1 13 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.067 0.180 19108 11723 1 13 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.950 0.010 19108 11724 1 13 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.698 0.237 19108 11725 1 13 . 1 1 184 184 GLN H H 184 8.714 8.714 8.365 0.349 19108 11726 1 13 . 1 1 185 185 ALA N N 185 124.432 124.432 123.247 1.185 19108 11727 1 13 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.035 0.249 19108 11728 1 13 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.125 0.344 19108 11729 1 13 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.079 0.295 19108 11730 1 13 . 1 1 185 185 ALA H H 185 8.258 8.258 7.712 0.546 19108 11731 1 13 . 1 1 186 186 LEU N N 186 119.941 119.941 118.483 1.458 19108 11732 1 13 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.858 0.354 19108 11733 1 13 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.041 0.174 19108 11734 1 13 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.474 1.290 19108 11735 1 13 . 1 1 186 186 LEU H H 186 8.953 8.953 8.473 0.480 19108 11736 1 13 . 1 1 187 187 SER N N 187 116.987 116.987 114.712 2.275 19108 11737 1 13 . 1 1 187 187 SER HA H 187 4.039 4.039 4.121 -0.082 19108 11738 1 13 . 1 1 187 187 SER CA C 187 63.302 63.302 62.523 0.779 19108 11739 1 13 . 1 1 187 187 SER CB C 187 62.760 62.760 62.801 -0.041 19108 11740 1 13 . 1 1 187 187 SER H H 187 8.935 8.935 8.705 0.230 19108 11741 1 13 . 1 1 188 188 GLY N N 188 110.215 110.215 109.615 0.600 19108 11742 1 13 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.936 0.218 19108 11743 1 13 . 1 1 188 188 GLY H H 188 8.228 8.228 8.216 0.012 19108 11744 1 13 . 1 1 189 189 ARG N N 189 122.994 122.994 121.963 1.031 19108 11745 1 13 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.975 0.262 19108 11746 1 13 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.203 0.356 19108 11747 1 13 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.770 0.625 19108 11748 1 13 . 1 1 189 189 ARG H H 189 7.838 7.838 7.653 0.185 19108 11749 1 13 . 1 1 190 190 LEU N N 190 119.765 119.765 120.459 -0.694 19108 11750 1 13 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.101 0.137 19108 11751 1 13 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.483 0.736 19108 11752 1 13 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.099 0.143 19108 11753 1 13 . 1 1 190 190 LEU H H 190 8.791 8.791 7.935 0.856 19108 11754 1 13 . 1 1 191 191 ARG N N 191 118.427 118.427 117.939 0.488 19108 11755 1 13 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.920 0.123 19108 11756 1 13 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.652 0.130 19108 11757 1 13 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.129 0.062 19108 11758 1 13 . 1 1 191 191 ARG H H 191 8.305 8.305 8.707 -0.402 19108 11759 1 13 . 1 1 192 192 ALA N N 192 119.414 119.414 120.445 -1.031 19108 11760 1 13 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.288 -0.071 19108 11761 1 13 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.294 0.422 19108 11762 1 13 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.572 -0.407 19108 11763 1 13 . 1 1 192 192 ALA H H 192 7.414 7.414 7.697 -0.283 19108 11764 1 13 . 1 1 193 193 ILE N N 193 118.949 118.949 120.466 -1.517 19108 11765 1 13 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.784 -0.014 19108 11766 1 13 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.167 0.671 19108 11767 1 13 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.283 1.163 19108 11768 1 13 . 1 1 193 193 ILE H H 193 7.896 7.896 7.657 0.239 19108 11769 1 13 . 1 1 194 194 LEU N N 194 116.435 116.435 117.242 -0.807 19108 11770 1 13 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.186 0.087 19108 11771 1 13 . 1 1 194 194 LEU CA C 194 55.713 55.713 54.857 0.856 19108 11772 1 13 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.559 -1.088 19108 11773 1 13 . 1 1 194 194 LEU H H 194 8.296 8.296 7.925 0.371 19108 11774 1 13 . 1 1 195 195 GLN N N 195 118.580 118.580 116.475 2.105 19108 11775 1 13 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.914 0.420 19108 11776 1 13 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.536 -0.119 19108 11777 1 13 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.444 2.154 19108 11778 1 13 . 1 1 195 195 GLN H H 195 7.921 7.921 7.280 0.641 19108 11779 1 13 . 1 1 196 196 ASN N N 196 118.941 118.941 118.286 0.655 19108 11780 1 13 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.307 0.395 19108 11781 1 13 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.196 -0.746 19108 11782 1 13 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.172 0.652 19108 11783 1 13 . 1 1 196 196 ASN H H 196 8.078 8.078 8.773 -0.695 19108 11784 1 13 . 1 1 197 197 GLN N N 197 120.984 120.984 115.913 5.071 19108 11785 1 13 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.119 0.237 19108 11786 1 13 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.517 -0.351 19108 11787 1 13 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.373 0.123 19108 11788 1 13 . 1 1 197 197 GLN H H 197 8.526 8.526 7.652 0.874 19108 11789 1 13 . 1 1 198 198 GLY N N 198 109.565 109.565 110.968 -1.403 19108 11790 1 13 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.328 0.056 19108 11791 1 13 . 1 1 198 198 GLY H H 198 8.467 8.467 8.750 -0.283 19108 11792 1 14 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.951 -0.577 19108 11793 1 14 . 1 1 2 2 GLU CA C 2 56.348 56.348 55.523 0.825 19108 11794 1 14 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.705 -0.252 19108 11795 1 14 . 1 1 3 3 ALA N N 3 125.932 125.932 123.222 2.710 19108 11796 1 14 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.346 0.004 19108 11797 1 14 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.728 -1.321 19108 11798 1 14 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.015 0.565 19108 11799 1 14 . 1 1 3 3 ALA H H 3 8.526 8.526 8.698 -0.172 19108 11800 1 14 . 1 1 4 4 SER N N 4 116.729 116.729 115.408 1.321 19108 11801 1 14 . 1 1 4 4 SER HA H 4 4.766 4.766 4.543 0.223 19108 11802 1 14 . 1 1 4 4 SER CA C 4 56.283 56.283 56.908 -0.625 19108 11803 1 14 . 1 1 4 4 SER CB C 4 63.278 63.278 63.668 -0.390 19108 11804 1 14 . 1 1 4 4 SER H H 4 8.397 8.397 8.369 0.028 19108 11805 1 14 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.318 0.128 19108 11806 1 14 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.945 0.361 19108 11807 1 14 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.290 -0.193 19108 11808 1 14 . 1 1 6 6 ALA N N 6 124.236 124.236 124.235 0.001 19108 11809 1 14 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.501 -0.168 19108 11810 1 14 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.111 0.452 19108 11811 1 14 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.017 1.317 19108 11812 1 14 . 1 1 6 6 ALA H H 6 8.411 8.411 8.342 0.069 19108 11813 1 14 . 1 1 7 7 SER N N 7 114.497 114.497 115.170 -0.673 19108 11814 1 14 . 1 1 7 7 SER HA H 7 4.475 4.475 4.449 0.026 19108 11815 1 14 . 1 1 7 7 SER CA C 7 58.258 58.258 57.924 0.334 19108 11816 1 14 . 1 1 7 7 SER CB C 7 64.174 64.174 63.670 0.504 19108 11817 1 14 . 1 1 7 7 SER H H 7 8.195 8.195 7.779 0.416 19108 11818 1 14 . 1 1 8 8 GLY N N 8 110.497 110.497 113.062 -2.565 19108 11819 1 14 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.955 -0.109 19108 11820 1 14 . 1 1 8 8 GLY H H 8 8.226 8.226 8.426 -0.200 19108 11821 1 14 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.543 -0.094 19108 11822 1 14 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.156 1.278 19108 11823 1 14 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.745 -0.552 19108 11824 1 14 . 1 1 10 10 ARG N N 10 120.534 120.534 120.284 0.250 19108 11825 1 14 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.216 0.125 19108 11826 1 14 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.602 -0.586 19108 11827 1 14 . 1 1 10 10 ARG CB C 10 30.809 30.809 29.990 0.819 19108 11828 1 14 . 1 1 10 10 ARG H H 10 8.469 8.469 8.358 0.111 19108 11829 1 14 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.555 0.270 19108 11830 1 14 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.684 -0.223 19108 11831 1 14 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.376 -0.185 19108 11832 1 14 . 1 1 12 12 LEU N N 12 122.284 122.284 126.265 -3.981 19108 11833 1 14 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.551 0.058 19108 11834 1 14 . 1 1 12 12 LEU CB C 12 45.030 45.030 44.334 0.696 19108 11835 1 14 . 1 1 12 12 LEU H H 12 8.250 8.250 8.525 -0.275 19108 11836 1 14 . 1 1 13 13 MET N N 13 121.493 121.493 119.075 2.418 19108 11837 1 14 . 1 1 13 13 MET HA H 13 4.038 4.038 4.131 -0.093 19108 11838 1 14 . 1 1 13 13 MET CA C 13 54.449 54.449 56.106 -1.657 19108 11839 1 14 . 1 1 13 13 MET CB C 13 35.015 35.015 33.057 1.958 19108 11840 1 14 . 1 1 13 13 MET H H 13 8.955 8.955 7.759 1.196 19108 11841 1 14 . 1 1 14 14 ASP N N 14 127.113 127.113 122.652 4.461 19108 11842 1 14 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.041 -0.941 19108 11843 1 14 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.519 -0.063 19108 11844 1 14 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.273 2.237 19108 11845 1 14 . 1 1 14 14 ASP H H 14 8.514 8.514 8.516 -0.002 19108 11846 1 14 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.042 -0.189 19108 11847 1 14 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.404 0.250 19108 11848 1 14 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.774 -0.123 19108 11849 1 14 . 1 1 16 16 HIS N N 16 115.776 115.776 115.354 0.422 19108 11850 1 14 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.458 -0.180 19108 11851 1 14 . 1 1 16 16 HIS CA C 16 58.918 58.918 58.882 0.036 19108 11852 1 14 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.335 0.872 19108 11853 1 14 . 1 1 16 16 HIS H H 16 8.591 8.591 7.560 1.031 19108 11854 1 14 . 1 1 17 17 ILE N N 17 122.675 122.675 120.970 1.705 19108 11855 1 14 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.680 -0.196 19108 11856 1 14 . 1 1 17 17 ILE CA C 17 63.226 63.226 65.013 -1.787 19108 11857 1 14 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.894 -0.797 19108 11858 1 14 . 1 1 17 17 ILE H H 17 7.558 7.558 7.868 -0.310 19108 11859 1 14 . 1 1 18 18 PHE N N 18 120.513 120.513 119.641 0.872 19108 11860 1 14 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.044 -0.041 19108 11861 1 14 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.838 0.966 19108 11862 1 14 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.194 0.446 19108 11863 1 14 . 1 1 18 18 PHE H H 18 7.831 7.831 8.357 -0.526 19108 11864 1 14 . 1 1 19 19 THR N N 19 114.555 114.555 114.830 -0.275 19108 11865 1 14 . 1 1 19 19 THR HA H 19 3.657 3.657 4.250 -0.593 19108 11866 1 14 . 1 1 19 19 THR CA C 19 66.485 66.485 66.403 0.082 19108 11867 1 14 . 1 1 19 19 THR CB C 19 68.345 68.345 68.809 -0.464 19108 11868 1 14 . 1 1 19 19 THR H H 19 9.036 9.036 8.475 0.561 19108 11869 1 14 . 1 1 20 20 SER N N 20 113.030 113.030 118.449 -5.419 19108 11870 1 14 . 1 1 20 20 SER HA H 20 4.062 4.062 4.076 -0.014 19108 11871 1 14 . 1 1 20 20 SER CA C 20 60.610 60.610 61.218 -0.608 19108 11872 1 14 . 1 1 20 20 SER CB C 20 63.843 63.843 62.778 1.065 19108 11873 1 14 . 1 1 20 20 SER H H 20 7.809 7.809 8.834 -1.025 19108 11874 1 14 . 1 1 21 21 ASN N N 21 115.629 115.629 118.023 -2.394 19108 11875 1 14 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.480 -0.069 19108 11876 1 14 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.474 2.515 19108 11877 1 14 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.581 2.999 19108 11878 1 14 . 1 1 21 21 ASN H H 21 7.362 7.362 8.020 -0.658 19108 11879 1 14 . 1 1 22 22 PHE N N 22 117.773 117.773 114.976 2.797 19108 11880 1 14 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.636 -0.363 19108 11881 1 14 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.864 -0.404 19108 11882 1 14 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.979 -2.149 19108 11883 1 14 . 1 1 22 22 PHE H H 22 8.296 8.296 7.930 0.366 19108 11884 1 14 . 1 1 23 23 ASN N N 23 115.026 115.026 120.093 -5.067 19108 11885 1 14 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.742 -0.213 19108 11886 1 14 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.829 0.813 19108 11887 1 14 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.841 -2.218 19108 11888 1 14 . 1 1 23 23 ASN H H 23 6.097 6.097 7.682 -1.585 19108 11889 1 14 . 1 1 24 24 ASN N N 24 122.900 122.900 124.375 -1.475 19108 11890 1 14 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.542 -0.109 19108 11891 1 14 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.388 -1.115 19108 11892 1 14 . 1 1 24 24 ASN CB C 24 37.892 37.892 39.167 -1.275 19108 11893 1 14 . 1 1 24 24 ASN H H 24 7.083 7.083 8.443 -1.360 19108 11894 1 14 . 1 1 25 25 GLY N N 25 105.587 105.587 109.420 -3.833 19108 11895 1 14 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.922 -1.057 19108 11896 1 14 . 1 1 25 25 GLY H H 25 8.520 8.520 8.774 -0.254 19108 11897 1 14 . 1 1 26 26 ILE N N 26 120.182 120.182 118.333 1.849 19108 11898 1 14 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.512 -0.338 19108 11899 1 14 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.241 1.202 19108 11900 1 14 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.134 0.381 19108 11901 1 14 . 1 1 26 26 ILE H H 26 6.944 6.944 7.476 -0.532 19108 11902 1 14 . 1 1 27 27 GLY N N 27 111.665 111.665 108.532 3.133 19108 11903 1 14 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.323 -0.004 19108 11904 1 14 . 1 1 27 27 GLY H H 27 8.457 8.457 8.539 -0.082 19108 11905 1 14 . 1 1 28 28 ARG N N 28 117.565 117.565 119.904 -2.339 19108 11906 1 14 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.278 -1.713 19108 11907 1 14 . 1 1 28 28 ARG H H 28 6.741 6.741 8.091 -1.350 19108 11908 1 14 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.285 2.718 19108 11909 1 14 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.896 1.148 19108 11910 1 14 . 1 1 29 29 HIS H H 29 8.636 8.636 8.321 0.315 19108 11911 1 14 . 1 1 30 30 LYS N N 30 119.344 119.344 122.694 -3.350 19108 11912 1 14 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.433 -0.012 19108 11913 1 14 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.727 1.137 19108 11914 1 14 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.551 1.640 19108 11915 1 14 . 1 1 30 30 LYS H H 30 7.870 7.870 7.384 0.486 19108 11916 1 14 . 1 1 31 31 THR N N 31 118.233 118.233 115.292 2.941 19108 11917 1 14 . 1 1 31 31 THR HA H 31 4.125 4.125 3.590 0.535 19108 11918 1 14 . 1 1 31 31 THR CA C 31 63.175 63.175 63.371 -0.196 19108 11919 1 14 . 1 1 31 31 THR H H 31 8.436 8.436 7.098 1.338 19108 11920 1 14 . 1 1 32 32 TYR N N 32 124.026 124.026 126.291 -2.265 19108 11921 1 14 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.616 0.320 19108 11922 1 14 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.924 -0.423 19108 11923 1 14 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.627 1.777 19108 11924 1 14 . 1 1 32 32 TYR H H 32 8.244 8.244 8.725 -0.481 19108 11925 1 14 . 1 1 33 33 LEU N N 33 125.428 125.428 123.924 1.504 19108 11926 1 14 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.477 -0.398 19108 11927 1 14 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.282 1.556 19108 11928 1 14 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.481 1.503 19108 11929 1 14 . 1 1 33 33 LEU H H 33 9.232 9.232 8.914 0.318 19108 11930 1 14 . 1 1 34 34 CYS N N 34 125.975 125.975 125.642 0.333 19108 11931 1 14 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.856 0.150 19108 11932 1 14 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.809 0.336 19108 11933 1 14 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.530 0.772 19108 11934 1 14 . 1 1 34 34 CYS H H 34 9.640 9.640 8.776 0.864 19108 11935 1 14 . 1 1 35 35 TYR N N 35 121.183 121.183 122.787 -1.604 19108 11936 1 14 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.634 0.854 19108 11937 1 14 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.917 -0.135 19108 11938 1 14 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.636 2.454 19108 11939 1 14 . 1 1 35 35 TYR H H 35 9.094 9.094 8.511 0.583 19108 11940 1 14 . 1 1 36 36 GLU N N 36 115.538 115.538 122.557 -7.019 19108 11941 1 14 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.991 0.444 19108 11942 1 14 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.206 1.185 19108 11943 1 14 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.668 -0.124 19108 11944 1 14 . 1 1 36 36 GLU H H 36 8.977 8.977 8.881 0.096 19108 11945 1 14 . 1 1 37 37 VAL N N 37 121.600 121.600 125.017 -3.417 19108 11946 1 14 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.557 0.602 19108 11947 1 14 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.952 0.096 19108 11948 1 14 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.379 0.691 19108 11949 1 14 . 1 1 37 37 VAL H H 37 9.271 9.271 8.919 0.352 19108 11950 1 14 . 1 1 38 38 GLU N N 38 125.227 125.227 125.268 -0.041 19108 11951 1 14 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.102 0.116 19108 11952 1 14 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.836 -0.584 19108 11953 1 14 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.230 1.698 19108 11954 1 14 . 1 1 38 38 GLU H H 38 9.114 9.114 8.525 0.589 19108 11955 1 14 . 1 1 39 39 ARG N N 39 124.872 124.872 126.098 -1.226 19108 11956 1 14 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.319 1.046 19108 11957 1 14 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.973 0.274 19108 11958 1 14 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.130 0.435 19108 11959 1 14 . 1 1 39 39 ARG H H 39 9.215 9.215 8.296 0.919 19108 11960 1 14 . 1 1 40 40 LEU N N 40 126.510 126.510 125.904 0.606 19108 11961 1 14 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.354 0.399 19108 11962 1 14 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.840 -0.517 19108 11963 1 14 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.878 -2.035 19108 11964 1 14 . 1 1 40 40 LEU H H 40 8.659 8.659 7.682 0.977 19108 11965 1 14 . 1 1 41 41 ASP N N 41 124.410 124.410 121.403 3.007 19108 11966 1 14 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.714 0.079 19108 11967 1 14 . 1 1 41 41 ASP CA C 41 53.218 53.218 54.300 -1.082 19108 11968 1 14 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.600 -0.867 19108 11969 1 14 . 1 1 41 41 ASP H H 41 8.575 8.575 8.177 0.398 19108 11970 1 14 . 1 1 42 42 ASN N N 42 123.319 123.319 121.182 2.137 19108 11971 1 14 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.442 -0.022 19108 11972 1 14 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.516 0.657 19108 11973 1 14 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.215 0.632 19108 11974 1 14 . 1 1 42 42 ASN H H 42 9.048 9.048 8.657 0.391 19108 11975 1 14 . 1 1 43 43 GLY N N 43 106.044 106.044 101.503 4.541 19108 11976 1 14 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.806 -0.412 19108 11977 1 14 . 1 1 43 43 GLY H H 43 8.548 8.548 8.405 0.143 19108 11978 1 14 . 1 1 44 44 THR N N 44 115.893 115.893 119.340 -3.447 19108 11979 1 14 . 1 1 44 44 THR HA H 44 4.524 4.524 4.377 0.147 19108 11980 1 14 . 1 1 44 44 THR CA C 44 61.285 61.285 61.689 -0.404 19108 11981 1 14 . 1 1 44 44 THR CB C 44 70.572 70.572 69.219 1.353 19108 11982 1 14 . 1 1 44 44 THR H H 44 7.833 7.833 7.450 0.383 19108 11983 1 14 . 1 1 45 45 SER N N 45 119.589 119.589 123.147 -3.558 19108 11984 1 14 . 1 1 45 45 SER HA H 45 4.804 4.804 4.493 0.311 19108 11985 1 14 . 1 1 45 45 SER CA C 45 58.080 58.080 57.947 0.133 19108 11986 1 14 . 1 1 45 45 SER CB C 45 64.265 64.265 63.068 1.197 19108 11987 1 14 . 1 1 45 45 SER H H 45 8.590 8.590 8.724 -0.134 19108 11988 1 14 . 1 1 46 46 VAL N N 46 125.827 125.827 126.739 -0.912 19108 11989 1 14 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.122 0.171 19108 11990 1 14 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.738 0.105 19108 11991 1 14 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.884 0.633 19108 11992 1 14 . 1 1 46 46 VAL H H 46 9.034 9.034 8.982 0.052 19108 11993 1 14 . 1 1 47 47 LYS N N 47 126.528 126.528 127.521 -0.993 19108 11994 1 14 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.325 -0.040 19108 11995 1 14 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.374 1.291 19108 11996 1 14 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.381 -0.589 19108 11997 1 14 . 1 1 47 47 LYS H H 47 8.738 8.738 8.483 0.255 19108 11998 1 14 . 1 1 48 48 MET N N 48 122.645 122.645 123.182 -0.537 19108 11999 1 14 . 1 1 48 48 MET HA H 48 5.195 5.195 4.700 0.495 19108 12000 1 14 . 1 1 48 48 MET CA C 48 54.747 54.747 54.776 -0.029 19108 12001 1 14 . 1 1 48 48 MET CB C 48 32.379 32.379 33.915 -1.536 19108 12002 1 14 . 1 1 48 48 MET H H 48 8.334 8.334 8.220 0.114 19108 12003 1 14 . 1 1 49 49 ASP N N 49 123.713 123.713 122.221 1.492 19108 12004 1 14 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.524 -0.100 19108 12005 1 14 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.827 0.783 19108 12006 1 14 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.998 0.036 19108 12007 1 14 . 1 1 49 49 ASP H H 49 8.575 8.575 8.884 -0.309 19108 12008 1 14 . 1 1 50 50 GLN N N 50 117.540 117.540 119.286 -1.746 19108 12009 1 14 . 1 1 50 50 GLN H H 50 9.110 9.110 8.338 0.772 19108 12010 1 14 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.765 0.386 19108 12011 1 14 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.162 -1.328 19108 12012 1 14 . 1 1 51 51 HIS H H 51 8.031 8.031 7.987 0.044 19108 12013 1 14 . 1 1 52 52 ARG N N 52 117.888 117.888 118.624 -0.736 19108 12014 1 14 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.555 0.682 19108 12015 1 14 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.569 0.486 19108 12016 1 14 . 1 1 52 52 ARG CB C 52 33.054 33.054 33.435 -0.381 19108 12017 1 14 . 1 1 52 52 ARG H H 52 7.685 7.685 7.518 0.167 19108 12018 1 14 . 1 1 53 53 GLY N N 53 108.573 108.573 105.726 2.847 19108 12019 1 14 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.134 0.574 19108 12020 1 14 . 1 1 53 53 GLY H H 53 7.529 7.529 7.317 0.212 19108 12021 1 14 . 1 1 54 54 PHE N N 54 113.146 113.146 115.728 -2.582 19108 12022 1 14 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.562 0.433 19108 12023 1 14 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.345 -0.489 19108 12024 1 14 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.963 2.400 19108 12025 1 14 . 1 1 54 54 PHE H H 54 8.287 8.287 7.557 0.730 19108 12026 1 14 . 1 1 55 55 LEU N N 55 119.389 119.389 120.940 -1.551 19108 12027 1 14 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.447 0.248 19108 12028 1 14 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.750 -0.038 19108 12029 1 14 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.495 0.133 19108 12030 1 14 . 1 1 55 55 LEU H H 55 9.452 9.452 8.930 0.522 19108 12031 1 14 . 1 1 56 56 HIS N N 56 114.176 114.176 115.348 -1.172 19108 12032 1 14 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.015 0.424 19108 12033 1 14 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.199 0.266 19108 12034 1 14 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.550 -0.083 19108 12035 1 14 . 1 1 56 56 HIS H H 56 7.709 7.709 7.274 0.435 19108 12036 1 14 . 1 1 57 57 ASN N N 57 116.522 116.522 118.250 -1.728 19108 12037 1 14 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.600 -0.185 19108 12038 1 14 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.560 1.624 19108 12039 1 14 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.685 -1.024 19108 12040 1 14 . 1 1 57 57 ASN H H 57 8.684 8.684 8.091 0.593 19108 12041 1 14 . 1 1 58 58 GLN N N 58 122.850 122.850 123.170 -0.320 19108 12042 1 14 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.259 0.130 19108 12043 1 14 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.832 -0.979 19108 12044 1 14 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.685 1.697 19108 12045 1 14 . 1 1 58 58 GLN H H 58 9.099 9.099 8.504 0.595 19108 12046 1 14 . 1 1 59 59 ALA HA H 59 4.300 4.300 3.933 0.367 19108 12047 1 14 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.414 0.090 19108 12048 1 14 . 1 1 59 59 ALA CB C 59 19.421 19.421 17.646 1.774 19108 12049 1 14 . 1 1 60 60 LYS N N 60 119.998 119.998 116.000 3.998 19108 12050 1 14 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.122 -0.346 19108 12051 1 14 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.628 -1.327 19108 12052 1 14 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.268 0.548 19108 12053 1 14 . 1 1 60 60 LYS H H 60 8.344 8.344 8.332 0.012 19108 12054 1 14 . 1 1 61 61 ASN N N 61 119.688 119.688 117.523 2.165 19108 12055 1 14 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.921 -0.466 19108 12056 1 14 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.072 -0.168 19108 12057 1 14 . 1 1 61 61 ASN CB C 61 38.537 38.537 40.020 -1.483 19108 12058 1 14 . 1 1 61 61 ASN H H 61 8.643 8.643 8.715 -0.072 19108 12059 1 14 . 1 1 62 62 LEU N N 62 124.761 124.761 118.584 6.177 19108 12060 1 14 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.700 -0.766 19108 12061 1 14 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.315 1.930 19108 12062 1 14 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.016 -0.073 19108 12063 1 14 . 1 1 62 62 LEU H H 62 8.873 8.873 8.499 0.374 19108 12064 1 14 . 1 1 63 63 LEU N N 63 120.312 120.312 119.897 0.415 19108 12065 1 14 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.162 0.037 19108 12066 1 14 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.321 -0.244 19108 12067 1 14 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.953 -0.696 19108 12068 1 14 . 1 1 63 63 LEU H H 63 8.145 8.145 7.786 0.359 19108 12069 1 14 . 1 1 64 64 CYS N N 64 113.898 113.898 117.589 -3.691 19108 12070 1 14 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.539 -0.368 19108 12071 1 14 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.241 -1.457 19108 12072 1 14 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.669 0.049 19108 12073 1 14 . 1 1 64 64 CYS H H 64 7.376 7.376 8.218 -0.842 19108 12074 1 14 . 1 1 65 65 GLY N N 65 108.894 108.894 108.964 -0.070 19108 12075 1 14 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.407 0.576 19108 12076 1 14 . 1 1 65 65 GLY H H 65 7.789 7.789 7.957 -0.168 19108 12077 1 14 . 1 1 66 66 PHE N N 66 118.711 118.711 120.183 -1.472 19108 12078 1 14 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.388 -0.471 19108 12079 1 14 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.880 -0.940 19108 12080 1 14 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.892 -0.624 19108 12081 1 14 . 1 1 66 66 PHE H H 66 7.699 7.699 7.642 0.057 19108 12082 1 14 . 1 1 67 67 TYR N N 67 124.623 124.623 123.206 1.417 19108 12083 1 14 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.801 -0.501 19108 12084 1 14 . 1 1 67 67 TYR CA C 67 58.764 58.764 55.860 2.904 19108 12085 1 14 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.232 -1.079 19108 12086 1 14 . 1 1 67 67 TYR H H 67 8.568 8.568 7.304 1.264 19108 12087 1 14 . 1 1 69 69 ARG N N 69 121.427 121.427 119.452 1.975 19108 12088 1 14 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.546 2.511 19108 12089 1 14 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.893 -0.597 19108 12090 1 14 . 1 1 69 69 ARG H H 69 8.313 8.313 8.164 0.149 19108 12091 1 14 . 1 1 70 70 HIS N N 70 128.351 128.351 120.480 7.871 19108 12092 1 14 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.335 0.447 19108 12093 1 14 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.033 0.682 19108 12094 1 14 . 1 1 70 70 HIS CB C 70 31.776 31.776 29.921 1.855 19108 12095 1 14 . 1 1 70 70 HIS H H 70 9.182 9.182 8.110 1.072 19108 12096 1 14 . 1 1 71 71 ALA N N 71 125.649 125.649 122.781 2.868 19108 12097 1 14 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.043 -0.686 19108 12098 1 14 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.622 1.160 19108 12099 1 14 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.744 -0.734 19108 12100 1 14 . 1 1 71 71 ALA H H 71 8.968 8.968 8.784 0.184 19108 12101 1 14 . 1 1 72 72 GLU N N 72 119.941 119.941 118.873 1.068 19108 12102 1 14 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.765 -0.788 19108 12103 1 14 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.064 1.892 19108 12104 1 14 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.221 -1.215 19108 12105 1 14 . 1 1 72 72 GLU H H 72 12.692 12.692 8.530 4.162 19108 12106 1 14 . 1 1 73 73 LEU N N 73 114.882 114.882 119.857 -4.975 19108 12107 1 14 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.020 -0.435 19108 12108 1 14 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.410 -1.748 19108 12109 1 14 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.333 -2.087 19108 12110 1 14 . 1 1 73 73 LEU H H 73 6.637 6.637 7.941 -1.304 19108 12111 1 14 . 1 1 74 74 ARG N N 74 117.799 117.799 118.336 -0.537 19108 12112 1 14 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.615 0.427 19108 12113 1 14 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.478 -0.303 19108 12114 1 14 . 1 1 74 74 ARG H H 74 7.556 7.556 7.587 -0.031 19108 12115 1 14 . 1 1 75 75 PHE N N 75 119.783 119.783 120.370 -0.587 19108 12116 1 14 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.155 -0.594 19108 12117 1 14 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.378 1.296 19108 12118 1 14 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.875 -0.837 19108 12119 1 14 . 1 1 75 75 PHE H H 75 8.233 8.233 7.649 0.584 19108 12120 1 14 . 1 1 76 76 LEU N N 76 119.526 119.526 119.534 -0.008 19108 12121 1 14 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.532 0.026 19108 12122 1 14 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.697 1.343 19108 12123 1 14 . 1 1 76 76 LEU CB C 76 39.016 39.016 40.465 -1.449 19108 12124 1 14 . 1 1 76 76 LEU H H 76 7.629 7.629 7.671 -0.042 19108 12125 1 14 . 1 1 77 77 ASP N N 77 118.215 118.215 118.089 0.126 19108 12126 1 14 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.501 -0.343 19108 12127 1 14 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.653 -0.253 19108 12128 1 14 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.224 -0.856 19108 12129 1 14 . 1 1 77 77 ASP H H 77 8.190 8.190 8.089 0.101 19108 12130 1 14 . 1 1 78 78 LEU N N 78 117.496 117.496 115.171 2.325 19108 12131 1 14 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.558 -0.268 19108 12132 1 14 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.584 0.402 19108 12133 1 14 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.620 0.781 19108 12134 1 14 . 1 1 78 78 LEU H H 78 7.252 7.252 7.129 0.123 19108 12135 1 14 . 1 1 79 79 VAL N N 79 120.915 120.915 124.070 -3.155 19108 12136 1 14 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.503 -0.280 19108 12137 1 14 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.530 0.998 19108 12138 1 14 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.084 0.036 19108 12139 1 14 . 1 1 79 79 VAL H H 79 7.179 7.179 7.174 0.005 19108 12140 1 14 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.337 -0.362 19108 12141 1 14 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.350 1.437 19108 12142 1 14 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.875 -1.067 19108 12143 1 14 . 1 1 81 81 SER N N 81 112.727 112.727 112.854 -0.127 19108 12144 1 14 . 1 1 81 81 SER HA H 81 4.314 4.314 4.232 0.082 19108 12145 1 14 . 1 1 81 81 SER CA C 81 60.618 60.618 60.553 0.065 19108 12146 1 14 . 1 1 81 81 SER CB C 81 63.450 63.450 62.994 0.456 19108 12147 1 14 . 1 1 81 81 SER H H 81 7.828 7.828 7.645 0.183 19108 12148 1 14 . 1 1 82 82 LEU N N 82 120.918 120.918 118.789 2.129 19108 12149 1 14 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.535 -0.661 19108 12150 1 14 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.057 0.435 19108 12151 1 14 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.938 -2.727 19108 12152 1 14 . 1 1 82 82 LEU H H 82 7.912 7.912 7.452 0.460 19108 12153 1 14 . 1 1 83 83 GLN N N 83 111.397 111.397 117.725 -6.328 19108 12154 1 14 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.010 -0.202 19108 12155 1 14 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.959 0.207 19108 12156 1 14 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.348 -0.680 19108 12157 1 14 . 1 1 83 83 GLN H H 83 7.458 7.458 7.921 -0.463 19108 12158 1 14 . 1 1 84 84 LEU N N 84 118.520 118.520 120.423 -1.903 19108 12159 1 14 . 1 1 84 84 LEU HA H 84 3.719 3.719 3.980 -0.261 19108 12160 1 14 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.094 -1.352 19108 12161 1 14 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.877 -2.632 19108 12162 1 14 . 1 1 84 84 LEU H H 84 8.736 8.736 8.074 0.662 19108 12163 1 14 . 1 1 85 85 ASP N N 85 126.187 126.187 123.779 2.408 19108 12164 1 14 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.944 -0.061 19108 12165 1 14 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.964 -0.618 19108 12166 1 14 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.779 0.169 19108 12167 1 14 . 1 1 85 85 ASP H H 85 8.415 8.415 8.274 0.141 19108 12168 1 14 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.363 -0.435 19108 12169 1 14 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.688 -0.049 19108 12170 1 14 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.155 -0.869 19108 12171 1 14 . 1 1 87 87 ALA N N 87 121.030 121.030 122.340 -1.310 19108 12172 1 14 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.118 0.300 19108 12173 1 14 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.050 -1.878 19108 12174 1 14 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.764 0.584 19108 12175 1 14 . 1 1 87 87 ALA H H 87 8.504 8.504 7.944 0.560 19108 12176 1 14 . 1 1 88 88 GLN N N 88 119.601 119.601 115.322 4.279 19108 12177 1 14 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.516 0.006 19108 12178 1 14 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.535 -1.101 19108 12179 1 14 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.543 -1.494 19108 12180 1 14 . 1 1 88 88 GLN H H 88 8.125 8.125 8.186 -0.061 19108 12181 1 14 . 1 1 89 89 ILE N N 89 118.195 118.195 118.431 -0.236 19108 12182 1 14 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.298 0.671 19108 12183 1 14 . 1 1 89 89 ILE CA C 89 59.541 59.541 61.029 -1.488 19108 12184 1 14 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.974 0.278 19108 12185 1 14 . 1 1 89 89 ILE H H 89 8.099 8.099 8.300 -0.201 19108 12186 1 14 . 1 1 90 90 TYR N N 90 122.421 122.421 122.252 0.169 19108 12187 1 14 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.063 0.298 19108 12188 1 14 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.191 -1.151 19108 12189 1 14 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.733 -0.906 19108 12190 1 14 . 1 1 90 90 TYR H H 90 8.892 8.892 8.384 0.508 19108 12191 1 14 . 1 1 91 91 ARG N N 91 121.043 121.043 121.922 -0.879 19108 12192 1 14 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.086 0.157 19108 12193 1 14 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.738 -1.203 19108 12194 1 14 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.367 -0.235 19108 12195 1 14 . 1 1 91 91 ARG H H 91 9.327 9.327 9.019 0.308 19108 12196 1 14 . 1 1 92 92 VAL N N 92 132.287 132.287 129.712 2.575 19108 12197 1 14 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.996 -0.072 19108 12198 1 14 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.032 -1.127 19108 12199 1 14 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.774 0.079 19108 12200 1 14 . 1 1 92 92 VAL H H 92 9.668 9.668 8.544 1.124 19108 12201 1 14 . 1 1 93 93 THR N N 93 124.468 124.468 124.395 0.073 19108 12202 1 14 . 1 1 93 93 THR HA H 93 5.264 5.264 4.702 0.562 19108 12203 1 14 . 1 1 93 93 THR CA C 93 61.616 61.616 62.388 -0.772 19108 12204 1 14 . 1 1 93 93 THR CB C 93 70.082 70.082 69.732 0.350 19108 12205 1 14 . 1 1 93 93 THR H H 93 9.381 9.381 9.278 0.103 19108 12206 1 14 . 1 1 94 94 TRP N N 94 124.491 124.491 128.064 -3.573 19108 12207 1 14 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.892 0.774 19108 12208 1 14 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.141 -2.936 19108 12209 1 14 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.913 2.755 19108 12210 1 14 . 1 1 94 94 TRP H H 94 9.071 9.071 9.249 -0.178 19108 12211 1 14 . 1 1 95 95 PHE N N 95 122.179 122.179 122.683 -0.504 19108 12212 1 14 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.017 0.653 19108 12213 1 14 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.242 -0.468 19108 12214 1 14 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.690 -1.240 19108 12215 1 14 . 1 1 95 95 PHE H H 95 9.578 9.578 8.493 1.085 19108 12216 1 14 . 1 1 96 96 ILE N N 96 125.072 125.072 122.418 2.654 19108 12217 1 14 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.058 0.915 19108 12218 1 14 . 1 1 96 96 ILE CA C 96 58.427 58.427 60.203 -1.776 19108 12219 1 14 . 1 1 96 96 ILE CB C 96 45.073 45.073 39.419 5.654 19108 12220 1 14 . 1 1 96 96 ILE H H 96 9.816 9.816 8.408 1.408 19108 12221 1 14 . 1 1 97 97 SER N N 97 124.020 124.020 120.562 3.458 19108 12222 1 14 . 1 1 97 97 SER HA H 97 3.623 3.623 4.824 -1.201 19108 12223 1 14 . 1 1 97 97 SER CA C 97 61.750 61.750 60.460 1.290 19108 12224 1 14 . 1 1 97 97 SER CB C 97 63.711 63.711 63.979 -0.268 19108 12225 1 14 . 1 1 97 97 SER H H 97 9.156 9.156 8.495 0.661 19108 12226 1 14 . 1 1 98 98 TRP N N 98 114.829 114.829 121.590 -6.761 19108 12227 1 14 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.271 0.068 19108 12228 1 14 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.833 -2.162 19108 12229 1 14 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.444 3.307 19108 12230 1 14 . 1 1 98 98 TRP H H 98 6.619 6.619 7.638 -1.019 19108 12231 1 14 . 1 1 99 99 SER N N 99 115.444 115.444 119.963 -4.519 19108 12232 1 14 . 1 1 99 99 SER CA C 99 58.045 58.045 57.358 0.688 19108 12233 1 14 . 1 1 99 99 SER CB C 99 61.927 61.927 63.567 -1.640 19108 12234 1 14 . 1 1 99 99 SER H H 99 8.590 8.590 8.390 0.200 19108 12235 1 14 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.716 -0.791 19108 12236 1 14 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.995 1.801 19108 12237 1 14 . 1 1 101 101 CYS N N 101 121.768 121.768 116.875 4.893 19108 12238 1 14 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.330 2.329 19108 12239 1 14 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.963 1.226 19108 12240 1 14 . 1 1 101 101 CYS H H 101 8.686 8.686 8.361 0.325 19108 12241 1 14 . 1 1 102 102 PHE N N 102 115.031 115.031 122.904 -7.873 19108 12242 1 14 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.173 1.787 19108 12243 1 14 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.769 1.388 19108 12244 1 14 . 1 1 102 102 PHE H H 102 9.318 9.318 8.431 0.887 19108 12245 1 14 . 1 1 103 103 SER N N 103 119.552 119.552 123.150 -3.598 19108 12246 1 14 . 1 1 103 103 SER HA H 103 3.713 3.713 4.167 -0.454 19108 12247 1 14 . 1 1 103 103 SER CA C 103 63.368 63.368 61.757 1.611 19108 12248 1 14 . 1 1 103 103 SER CB C 103 60.539 60.539 63.347 -2.808 19108 12249 1 14 . 1 1 103 103 SER H H 103 10.858 10.858 8.696 2.162 19108 12250 1 14 . 1 1 104 104 TRP N N 104 117.909 117.909 121.395 -3.486 19108 12251 1 14 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.867 -1.091 19108 12252 1 14 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.771 0.443 19108 12253 1 14 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.409 -1.523 19108 12254 1 14 . 1 1 104 104 TRP H H 104 7.880 7.880 8.727 -0.847 19108 12255 1 14 . 1 1 105 105 GLY N N 105 106.359 106.359 107.996 -1.637 19108 12256 1 14 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.784 -0.703 19108 12257 1 14 . 1 1 105 105 GLY H H 105 7.468 7.468 8.690 -1.222 19108 12258 1 14 . 1 1 106 106 CYS N N 106 120.359 120.359 120.959 -0.600 19108 12259 1 14 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.321 -0.462 19108 12260 1 14 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.994 4.108 19108 12261 1 14 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.019 2.699 19108 12262 1 14 . 1 1 106 106 CYS H H 106 7.366 7.366 8.017 -0.651 19108 12263 1 14 . 1 1 107 107 ALA N N 107 119.725 119.725 122.724 -2.999 19108 12264 1 14 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.005 -0.140 19108 12265 1 14 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.472 1.462 19108 12266 1 14 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.239 0.204 19108 12267 1 14 . 1 1 107 107 ALA H H 107 8.719 8.719 8.507 0.212 19108 12268 1 14 . 1 1 108 108 GLY N N 108 103.829 103.829 106.944 -3.115 19108 12269 1 14 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.328 -0.434 19108 12270 1 14 . 1 1 108 108 GLY H H 108 8.555 8.555 8.197 0.358 19108 12271 1 14 . 1 1 109 109 GLU N N 109 123.162 123.162 121.105 2.057 19108 12272 1 14 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.962 0.304 19108 12273 1 14 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.667 -0.375 19108 12274 1 14 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.334 1.048 19108 12275 1 14 . 1 1 109 109 GLU H H 109 8.023 8.023 7.643 0.380 19108 12276 1 14 . 1 1 110 110 VAL N N 110 121.866 121.866 118.343 3.523 19108 12277 1 14 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.647 0.052 19108 12278 1 14 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.463 0.580 19108 12279 1 14 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.046 -0.040 19108 12280 1 14 . 1 1 110 110 VAL H H 110 8.942 8.942 7.341 1.601 19108 12281 1 14 . 1 1 111 111 ARG N N 111 120.587 120.587 120.789 -0.202 19108 12282 1 14 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.746 0.040 19108 12283 1 14 . 1 1 111 111 ARG CA C 111 60.081 60.081 60.054 0.027 19108 12284 1 14 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.102 -0.927 19108 12285 1 14 . 1 1 111 111 ARG H H 111 8.653 8.653 8.693 -0.040 19108 12286 1 14 . 1 1 112 112 ALA N N 112 120.687 120.687 121.118 -0.431 19108 12287 1 14 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.983 0.151 19108 12288 1 14 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.033 0.385 19108 12289 1 14 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.022 -0.031 19108 12290 1 14 . 1 1 112 112 ALA H H 112 7.875 7.875 7.976 -0.101 19108 12291 1 14 . 1 1 113 113 PHE N N 113 118.950 118.950 119.179 -0.229 19108 12292 1 14 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.069 0.268 19108 12293 1 14 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.714 -0.338 19108 12294 1 14 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.156 0.232 19108 12295 1 14 . 1 1 113 113 PHE H H 113 8.139 8.139 7.633 0.506 19108 12296 1 14 . 1 1 114 114 LEU N N 114 120.595 120.595 120.069 0.526 19108 12297 1 14 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.763 0.037 19108 12298 1 14 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.197 -1.064 19108 12299 1 14 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.832 -0.923 19108 12300 1 14 . 1 1 114 114 LEU H H 114 8.639 8.639 8.753 -0.114 19108 12301 1 14 . 1 1 115 115 GLN N N 115 117.666 117.666 116.994 0.672 19108 12302 1 14 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.927 0.096 19108 12303 1 14 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.263 0.123 19108 12304 1 14 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.515 0.023 19108 12305 1 14 . 1 1 115 115 GLN H H 115 8.167 8.167 8.444 -0.277 19108 12306 1 14 . 1 1 116 116 GLU N N 116 115.380 115.380 113.633 1.747 19108 12307 1 14 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.251 0.071 19108 12308 1 14 . 1 1 116 116 GLU CA C 116 57.062 57.062 55.934 1.128 19108 12309 1 14 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.799 -0.084 19108 12310 1 14 . 1 1 116 116 GLU H H 116 7.448 7.448 7.312 0.136 19108 12311 1 14 . 1 1 117 117 ASN N N 117 119.831 119.831 116.549 3.282 19108 12312 1 14 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.584 0.481 19108 12313 1 14 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.443 -0.258 19108 12314 1 14 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.932 -1.686 19108 12315 1 14 . 1 1 117 117 ASN H H 117 7.632 7.632 7.936 -0.304 19108 12316 1 14 . 1 1 118 118 THR N N 118 111.041 111.041 114.866 -3.825 19108 12317 1 14 . 1 1 118 118 THR HA H 118 4.317 4.317 3.912 0.405 19108 12318 1 14 . 1 1 118 118 THR CA C 118 64.081 64.081 65.428 -1.347 19108 12319 1 14 . 1 1 118 118 THR CB C 118 68.767 68.767 68.171 0.595 19108 12320 1 14 . 1 1 118 118 THR H H 118 8.054 8.054 7.776 0.278 19108 12321 1 14 . 1 1 119 119 HIS N N 119 120.403 120.403 115.252 5.151 19108 12322 1 14 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.854 -0.565 19108 12323 1 14 . 1 1 119 119 HIS CA C 119 56.601 56.601 54.594 2.007 19108 12324 1 14 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.711 1.609 19108 12325 1 14 . 1 1 119 119 HIS H H 119 9.248 9.248 7.781 1.467 19108 12326 1 14 . 1 1 120 120 VAL N N 120 120.001 120.001 120.639 -0.638 19108 12327 1 14 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.910 -0.384 19108 12328 1 14 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.725 1.165 19108 12329 1 14 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.696 -1.701 19108 12330 1 14 . 1 1 120 120 VAL H H 120 7.379 7.379 8.083 -0.704 19108 12331 1 14 . 1 1 121 121 ARG N N 121 125.312 125.312 127.423 -2.111 19108 12332 1 14 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.532 0.278 19108 12333 1 14 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.650 -1.583 19108 12334 1 14 . 1 1 121 121 ARG CB C 121 30.580 30.580 30.975 -0.395 19108 12335 1 14 . 1 1 121 121 ARG H H 121 8.775 8.775 8.736 0.039 19108 12336 1 14 . 1 1 122 122 LEU N N 122 125.483 125.483 125.762 -0.279 19108 12337 1 14 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.182 -0.022 19108 12338 1 14 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.268 0.033 19108 12339 1 14 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.880 1.792 19108 12340 1 14 . 1 1 122 122 LEU H H 122 9.345 9.345 8.666 0.679 19108 12341 1 14 . 1 1 123 123 ARG N N 123 127.748 127.748 123.301 4.447 19108 12342 1 14 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.419 0.317 19108 12343 1 14 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.539 -0.372 19108 12344 1 14 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.686 0.126 19108 12345 1 14 . 1 1 123 123 ARG H H 123 9.053 9.053 8.228 0.825 19108 12346 1 14 . 1 1 124 124 ILE N N 124 123.665 123.665 123.916 -0.251 19108 12347 1 14 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.373 0.069 19108 12348 1 14 . 1 1 124 124 ILE CA C 124 60.759 60.759 59.973 0.786 19108 12349 1 14 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.157 1.736 19108 12350 1 14 . 1 1 124 124 ILE H H 124 9.019 9.019 8.695 0.324 19108 12351 1 14 . 1 1 125 125 PHE N N 125 126.320 126.320 126.982 -0.662 19108 12352 1 14 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.377 -0.212 19108 12353 1 14 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.778 0.136 19108 12354 1 14 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.541 0.278 19108 12355 1 14 . 1 1 125 125 PHE H H 125 9.359 9.359 8.105 1.254 19108 12356 1 14 . 1 1 126 126 ALA N N 126 124.526 124.526 127.668 -3.142 19108 12357 1 14 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.020 0.796 19108 12358 1 14 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.081 -2.211 19108 12359 1 14 . 1 1 126 126 ALA CB C 126 20.334 20.334 18.712 1.622 19108 12360 1 14 . 1 1 126 126 ALA H H 126 9.091 9.091 8.486 0.605 19108 12361 1 14 . 1 1 127 127 ALA N N 127 126.272 126.272 128.254 -1.982 19108 12362 1 14 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.366 0.385 19108 12363 1 14 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.874 1.594 19108 12364 1 14 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.653 -0.048 19108 12365 1 14 . 1 1 127 127 ALA H H 127 9.049 9.049 9.112 -0.063 19108 12366 1 14 . 1 1 128 128 ARG N N 128 108.570 108.570 117.950 -9.380 19108 12367 1 14 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.768 -0.354 19108 12368 1 14 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.256 3.950 19108 12369 1 14 . 1 1 128 128 ARG H H 128 6.741 6.741 7.520 -0.779 19108 12370 1 14 . 1 1 129 129 ILE N N 129 121.285 121.285 123.785 -2.500 19108 12371 1 14 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.340 -0.049 19108 12372 1 14 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.277 0.590 19108 12373 1 14 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.334 0.495 19108 12374 1 14 . 1 1 129 129 ILE H H 129 8.340 8.340 8.331 0.009 19108 12375 1 14 . 1 1 130 130 TYR N N 130 130.143 130.143 128.236 1.907 19108 12376 1 14 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.552 0.783 19108 12377 1 14 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.129 -0.203 19108 12378 1 14 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.980 -3.817 19108 12379 1 14 . 1 1 130 130 TYR H H 130 8.870 8.870 8.445 0.425 19108 12380 1 14 . 1 1 131 131 ASP N N 131 123.662 123.662 125.698 -2.036 19108 12381 1 14 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.391 -0.724 19108 12382 1 14 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.169 1.544 19108 12383 1 14 . 1 1 131 131 ASP CB C 131 38.901 38.901 39.117 -0.215 19108 12384 1 14 . 1 1 131 131 ASP H H 131 8.123 8.123 7.372 0.751 19108 12385 1 14 . 1 1 132 132 TYR N N 132 116.852 116.852 124.028 -7.176 19108 12386 1 14 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.573 -0.658 19108 12387 1 14 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.523 -0.055 19108 12388 1 14 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.874 -0.837 19108 12389 1 14 . 1 1 132 132 TYR H H 132 6.448 6.448 8.006 -1.558 19108 12390 1 14 . 1 1 133 133 ASP N N 133 116.930 116.930 113.124 3.806 19108 12391 1 14 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.169 -2.005 19108 12392 1 14 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.040 1.742 19108 12393 1 14 . 1 1 133 133 ASP H H 133 7.005 7.005 7.779 -0.773 19108 12394 1 14 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.694 -0.591 19108 12395 1 14 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.890 -0.189 19108 12396 1 14 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.653 0.437 19108 12397 1 14 . 1 1 135 135 LEU N N 135 120.252 120.252 119.162 1.090 19108 12398 1 14 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.323 0.375 19108 12399 1 14 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.900 -1.519 19108 12400 1 14 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.688 -1.944 19108 12401 1 14 . 1 1 135 135 LEU H H 135 8.456 8.456 7.724 0.732 19108 12402 1 14 . 1 1 136 136 TYR N N 136 117.432 117.432 118.288 -0.856 19108 12403 1 14 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.088 -0.027 19108 12404 1 14 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.098 0.960 19108 12405 1 14 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.782 0.798 19108 12406 1 14 . 1 1 136 136 TYR H H 136 8.028 8.028 8.001 0.027 19108 12407 1 14 . 1 1 137 137 LYS N N 137 122.000 122.000 119.057 2.943 19108 12408 1 14 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.059 1.240 19108 12409 1 14 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.559 -0.761 19108 12410 1 14 . 1 1 137 137 LYS H H 137 7.503 7.503 7.213 0.290 19108 12411 1 14 . 1 1 138 138 GLU N N 138 121.833 121.833 119.221 2.612 19108 12412 1 14 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.227 0.614 19108 12413 1 14 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.200 -1.731 19108 12414 1 14 . 1 1 138 138 GLU H H 138 8.752 8.752 8.295 0.457 19108 12415 1 14 . 1 1 139 139 ALA N N 139 119.592 119.592 122.882 -3.290 19108 12416 1 14 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.182 -0.336 19108 12417 1 14 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.128 0.012 19108 12418 1 14 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.531 1.724 19108 12419 1 14 . 1 1 139 139 ALA H H 139 7.682 7.682 7.776 -0.094 19108 12420 1 14 . 1 1 140 140 LEU N N 140 116.268 116.268 118.701 -2.433 19108 12421 1 14 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.036 0.157 19108 12422 1 14 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.672 -0.577 19108 12423 1 14 . 1 1 140 140 LEU H H 140 7.175 7.175 7.727 -0.552 19108 12424 1 14 . 1 1 141 141 GLN N N 141 117.550 117.550 118.073 -0.523 19108 12425 1 14 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.053 -0.334 19108 12426 1 14 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.634 0.417 19108 12427 1 14 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.775 -1.181 19108 12428 1 14 . 1 1 141 141 GLN H H 141 8.322 8.322 7.575 0.747 19108 12429 1 14 . 1 1 142 142 MET N N 142 118.520 118.520 120.683 -2.163 19108 12430 1 14 . 1 1 142 142 MET HA H 142 4.135 4.135 4.033 0.102 19108 12431 1 14 . 1 1 142 142 MET CA C 142 59.051 59.051 59.683 -0.632 19108 12432 1 14 . 1 1 142 142 MET CB C 142 33.170 33.170 32.846 0.324 19108 12433 1 14 . 1 1 142 142 MET H H 142 8.241 8.241 8.222 0.019 19108 12434 1 14 . 1 1 143 143 LEU N N 143 118.659 118.659 117.972 0.687 19108 12435 1 14 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.906 0.386 19108 12436 1 14 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.060 0.055 19108 12437 1 14 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.702 -0.325 19108 12438 1 14 . 1 1 143 143 LEU H H 143 7.932 7.932 8.368 -0.436 19108 12439 1 14 . 1 1 144 144 ARG N N 144 121.294 121.294 119.176 2.118 19108 12440 1 14 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.879 0.547 19108 12441 1 14 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.128 -0.139 19108 12442 1 14 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.851 -1.743 19108 12443 1 14 . 1 1 144 144 ARG H H 144 7.968 7.968 7.623 0.345 19108 12444 1 14 . 1 1 145 145 ASP N N 145 122.553 122.553 117.467 5.086 19108 12445 1 14 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.527 -0.098 19108 12446 1 14 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.743 0.835 19108 12447 1 14 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.180 -1.590 19108 12448 1 14 . 1 1 145 145 ASP H H 145 8.868 8.868 7.795 1.073 19108 12449 1 14 . 1 1 146 146 ALA N N 146 120.102 120.102 121.057 -0.955 19108 12450 1 14 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.264 0.154 19108 12451 1 14 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.707 -0.673 19108 12452 1 14 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.764 -0.469 19108 12453 1 14 . 1 1 146 146 ALA H H 146 7.737 7.737 7.795 -0.058 19108 12454 1 14 . 1 1 147 147 GLY N N 147 105.039 105.039 104.928 0.111 19108 12455 1 14 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.801 0.063 19108 12456 1 14 . 1 1 147 147 GLY H H 147 7.966 7.966 7.739 0.227 19108 12457 1 14 . 1 1 148 148 ALA N N 148 124.181 124.181 124.024 0.157 19108 12458 1 14 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.375 0.314 19108 12459 1 14 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.827 -0.368 19108 12460 1 14 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.950 -1.471 19108 12461 1 14 . 1 1 148 148 ALA H H 148 8.051 8.051 7.322 0.729 19108 12462 1 14 . 1 1 149 149 GLN N N 149 122.185 122.185 119.851 2.334 19108 12463 1 14 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.491 -0.052 19108 12464 1 14 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.171 -0.216 19108 12465 1 14 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.770 -1.349 19108 12466 1 14 . 1 1 149 149 GLN H H 149 7.953 7.953 7.919 0.034 19108 12467 1 14 . 1 1 150 150 VAL N N 150 127.399 127.399 122.107 5.292 19108 12468 1 14 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.918 -0.166 19108 12469 1 14 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.306 1.133 19108 12470 1 14 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.291 0.887 19108 12471 1 14 . 1 1 150 150 VAL H H 150 8.658 8.658 8.436 0.222 19108 12472 1 14 . 1 1 151 151 SER N N 151 120.616 120.616 121.115 -0.499 19108 12473 1 14 . 1 1 151 151 SER HA H 151 5.179 5.179 4.819 0.360 19108 12474 1 14 . 1 1 151 151 SER CA C 151 56.981 56.981 57.530 -0.549 19108 12475 1 14 . 1 1 151 151 SER CB C 151 66.538 66.538 67.064 -0.526 19108 12476 1 14 . 1 1 151 151 SER H H 151 8.737 8.737 8.253 0.484 19108 12477 1 14 . 1 1 152 152 ILE N N 152 123.180 123.180 122.168 1.012 19108 12478 1 14 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.389 0.758 19108 12479 1 14 . 1 1 152 152 ILE CA C 152 56.518 56.518 61.090 -4.572 19108 12480 1 14 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.699 -1.619 19108 12481 1 14 . 1 1 152 152 ILE H H 152 8.672 8.672 8.622 0.050 19108 12482 1 14 . 1 1 153 153 MET N N 153 123.477 123.477 129.544 -6.067 19108 12483 1 14 . 1 1 153 153 MET HA H 153 3.886 3.886 4.530 -0.644 19108 12484 1 14 . 1 1 153 153 MET CA C 153 59.053 59.053 56.264 2.789 19108 12485 1 14 . 1 1 153 153 MET CB C 153 34.793 34.793 32.739 2.054 19108 12486 1 14 . 1 1 153 153 MET H H 153 8.314 8.314 8.030 0.284 19108 12487 1 14 . 1 1 154 154 THR N N 154 117.621 117.621 117.984 -0.363 19108 12488 1 14 . 1 1 154 154 THR HA H 154 4.951 4.951 4.724 0.227 19108 12489 1 14 . 1 1 154 154 THR CA C 154 60.436 60.436 59.946 0.490 19108 12490 1 14 . 1 1 154 154 THR CB C 154 72.370 72.370 71.132 1.238 19108 12491 1 14 . 1 1 154 154 THR H H 154 9.630 9.630 7.999 1.631 19108 12492 1 14 . 1 1 155 155 TYR N N 155 121.751 121.751 121.720 0.031 19108 12493 1 14 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.186 -0.087 19108 12494 1 14 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.787 2.652 19108 12495 1 14 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.813 1.473 19108 12496 1 14 . 1 1 155 155 TYR H H 155 9.769 9.769 8.843 0.926 19108 12497 1 14 . 1 1 156 156 ASP N N 156 115.555 115.555 118.046 -2.491 19108 12498 1 14 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.603 0.505 19108 12499 1 14 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.937 0.323 19108 12500 1 14 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.343 0.275 19108 12501 1 14 . 1 1 156 156 ASP H H 156 8.230 8.230 8.440 -0.210 19108 12502 1 14 . 1 1 157 157 GLU N N 157 117.678 117.678 119.338 -1.660 19108 12503 1 14 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.925 -0.055 19108 12504 1 14 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.061 1.446 19108 12505 1 14 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.371 1.677 19108 12506 1 14 . 1 1 157 157 GLU H H 157 7.470 7.470 7.485 -0.015 19108 12507 1 14 . 1 1 158 158 PHE N N 158 119.869 119.869 120.053 -0.184 19108 12508 1 14 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.886 -0.057 19108 12509 1 14 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.238 1.538 19108 12510 1 14 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.502 1.405 19108 12511 1 14 . 1 1 158 158 PHE H H 158 8.077 8.077 8.057 0.020 19108 12512 1 14 . 1 1 159 159 LYS N N 159 118.859 118.859 119.287 -0.428 19108 12513 1 14 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.748 0.169 19108 12514 1 14 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.852 -0.622 19108 12515 1 14 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.334 -0.371 19108 12516 1 14 . 1 1 159 159 LYS H H 159 8.273 8.273 7.664 0.609 19108 12517 1 14 . 1 1 160 160 HIS N N 160 115.889 115.889 119.271 -3.382 19108 12518 1 14 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.208 -0.049 19108 12519 1 14 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.763 1.218 19108 12520 1 14 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.337 -1.407 19108 12521 1 14 . 1 1 160 160 HIS H H 160 7.695 7.695 7.668 0.027 19108 12522 1 14 . 1 1 161 161 CYS N N 161 118.188 118.188 117.845 0.343 19108 12523 1 14 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.082 0.707 19108 12524 1 14 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.129 0.665 19108 12525 1 14 . 1 1 161 161 CYS CB C 161 27.886 27.886 25.557 2.329 19108 12526 1 14 . 1 1 161 161 CYS H H 161 7.885 7.885 7.665 0.220 19108 12527 1 14 . 1 1 162 162 TRP N N 162 122.741 122.741 122.276 0.465 19108 12528 1 14 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.332 0.432 19108 12529 1 14 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.783 -0.066 19108 12530 1 14 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.726 -0.133 19108 12531 1 14 . 1 1 162 162 TRP H H 162 8.040 8.040 7.847 0.193 19108 12532 1 14 . 1 1 163 163 ASP N N 163 113.796 113.796 120.487 -6.691 19108 12533 1 14 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.841 0.285 19108 12534 1 14 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.310 0.619 19108 12535 1 14 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.383 0.152 19108 12536 1 14 . 1 1 163 163 ASP H H 163 8.319 8.319 7.939 0.380 19108 12537 1 14 . 1 1 164 164 THR N N 164 112.008 112.008 115.730 -3.722 19108 12538 1 14 . 1 1 164 164 THR HA H 164 3.803 3.803 3.837 -0.034 19108 12539 1 14 . 1 1 164 164 THR CA C 164 65.164 65.164 65.734 -0.569 19108 12540 1 14 . 1 1 164 164 THR CB C 164 70.171 70.171 68.856 1.315 19108 12541 1 14 . 1 1 164 164 THR H H 164 7.494 7.494 8.029 -0.535 19108 12542 1 14 . 1 1 165 165 PHE N N 165 115.079 115.079 116.412 -1.333 19108 12543 1 14 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.619 -0.084 19108 12544 1 14 . 1 1 165 165 PHE CA C 165 57.969 57.969 56.712 1.258 19108 12545 1 14 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.402 -0.034 19108 12546 1 14 . 1 1 165 165 PHE H H 165 8.235 8.235 7.102 1.133 19108 12547 1 14 . 1 1 166 166 VAL N N 166 118.432 118.432 119.384 -0.952 19108 12548 1 14 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.328 -0.303 19108 12549 1 14 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.229 0.772 19108 12550 1 14 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.282 -3.927 19108 12551 1 14 . 1 1 166 166 VAL H H 166 6.838 6.838 6.944 -0.106 19108 12552 1 14 . 1 1 167 167 ASP N N 167 126.263 126.263 126.450 -0.187 19108 12553 1 14 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.539 -0.691 19108 12554 1 14 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.898 -2.268 19108 12555 1 14 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.173 -1.093 19108 12556 1 14 . 1 1 167 167 ASP H H 167 8.498 8.498 8.484 0.014 19108 12557 1 14 . 1 1 168 168 HIS N N 168 119.890 119.890 119.951 -0.061 19108 12558 1 14 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.203 0.143 19108 12559 1 14 . 1 1 168 168 HIS CA C 168 56.575 56.575 59.177 -2.602 19108 12560 1 14 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.248 2.214 19108 12561 1 14 . 1 1 168 168 HIS H H 168 6.977 6.977 7.857 -0.880 19108 12562 1 14 . 1 1 169 169 GLN N N 169 119.254 119.254 116.325 2.929 19108 12563 1 14 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.950 -0.227 19108 12564 1 14 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.532 0.238 19108 12565 1 14 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.064 -0.543 19108 12566 1 14 . 1 1 169 169 GLN H H 169 9.126 9.126 9.047 0.079 19108 12567 1 14 . 1 1 170 170 GLY N N 170 111.911 111.911 101.039 10.872 19108 12568 1 14 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.460 0.364 19108 12569 1 14 . 1 1 170 170 GLY H H 170 11.556 11.556 5.187 6.369 19108 12570 1 14 . 1 1 171 171 CYS N N 171 123.390 123.390 121.996 1.394 19108 12571 1 14 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.089 -0.373 19108 12572 1 14 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.388 1.397 19108 12573 1 14 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.074 -1.170 19108 12574 1 14 . 1 1 171 171 CYS H H 171 8.044 8.044 7.054 0.990 19108 12575 1 14 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.951 -0.333 19108 12576 1 14 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.166 -0.308 19108 12577 1 14 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.580 -0.051 19108 12578 1 14 . 1 1 173 173 PHE N N 173 121.101 121.101 120.301 0.800 19108 12579 1 14 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.044 -0.388 19108 12580 1 14 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.119 -1.578 19108 12581 1 14 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.190 -0.444 19108 12582 1 14 . 1 1 173 173 PHE H H 173 8.842 8.842 8.067 0.775 19108 12583 1 14 . 1 1 174 174 GLN N N 174 129.493 129.493 125.301 4.192 19108 12584 1 14 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.347 -0.030 19108 12585 1 14 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.561 -1.766 19108 12586 1 14 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.940 0.157 19108 12587 1 14 . 1 1 174 174 GLN H H 174 7.250 7.250 7.180 0.070 19108 12588 1 14 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.643 -0.729 19108 12589 1 14 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.717 -0.294 19108 12590 1 14 . 1 1 176 176 TRP N N 176 118.133 118.133 123.916 -5.783 19108 12591 1 14 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.795 -0.162 19108 12592 1 14 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.229 -0.067 19108 12593 1 14 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.810 -0.921 19108 12594 1 14 . 1 1 176 176 TRP H H 176 5.591 5.591 7.023 -1.432 19108 12595 1 14 . 1 1 177 177 ASP N N 177 121.814 121.814 122.530 -0.716 19108 12596 1 14 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.491 -0.094 19108 12597 1 14 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.252 0.920 19108 12598 1 14 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.116 1.559 19108 12599 1 14 . 1 1 177 177 ASP H H 177 8.848 8.848 8.709 0.139 19108 12600 1 14 . 1 1 178 178 GLY N N 178 111.875 111.875 110.184 1.691 19108 12601 1 14 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.527 0.139 19108 12602 1 14 . 1 1 178 178 GLY H H 178 8.987 8.987 8.236 0.751 19108 12603 1 14 . 1 1 179 179 LEU N N 179 121.470 121.470 123.707 -2.237 19108 12604 1 14 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.141 0.347 19108 12605 1 14 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.466 2.316 19108 12606 1 14 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.272 0.957 19108 12607 1 14 . 1 1 179 179 LEU H H 179 7.148 7.148 7.836 -0.688 19108 12608 1 14 . 1 1 180 180 ASP N N 180 119.476 119.476 118.880 0.596 19108 12609 1 14 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.222 0.270 19108 12610 1 14 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.387 -0.448 19108 12611 1 14 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.819 0.894 19108 12612 1 14 . 1 1 180 180 ASP H H 180 8.874 8.874 8.783 0.091 19108 12613 1 14 . 1 1 181 181 GLU N N 181 122.379 122.379 118.708 3.671 19108 12614 1 14 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.847 0.165 19108 12615 1 14 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.894 0.076 19108 12616 1 14 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.472 -0.546 19108 12617 1 14 . 1 1 181 181 GLU H H 181 8.712 8.712 8.385 0.327 19108 12618 1 14 . 1 1 182 182 HIS N N 182 118.572 118.572 117.996 0.576 19108 12619 1 14 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.315 0.439 19108 12620 1 14 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.324 -0.295 19108 12621 1 14 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.643 -0.795 19108 12622 1 14 . 1 1 182 182 HIS H H 182 8.854 8.854 8.377 0.477 19108 12623 1 14 . 1 1 183 183 SER N N 183 116.329 116.329 115.677 0.652 19108 12624 1 14 . 1 1 183 183 SER HA H 183 4.554 4.554 4.062 0.492 19108 12625 1 14 . 1 1 183 183 SER CA C 183 63.604 63.604 61.908 1.696 19108 12626 1 14 . 1 1 183 183 SER CB C 183 65.216 65.216 63.024 2.192 19108 12627 1 14 . 1 1 183 183 SER H H 183 8.665 8.665 8.700 -0.035 19108 12628 1 14 . 1 1 184 184 GLN N N 184 122.215 122.215 120.481 1.734 19108 12629 1 14 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.144 0.103 19108 12630 1 14 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.734 0.226 19108 12631 1 14 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.331 0.604 19108 12632 1 14 . 1 1 184 184 GLN H H 184 8.714 8.714 7.875 0.839 19108 12633 1 14 . 1 1 185 185 ALA N N 185 124.432 124.432 123.374 1.058 19108 12634 1 14 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.144 0.140 19108 12635 1 14 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.025 0.444 19108 12636 1 14 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.207 0.167 19108 12637 1 14 . 1 1 185 185 ALA H H 185 8.258 8.258 7.774 0.484 19108 12638 1 14 . 1 1 186 186 LEU N N 186 119.941 119.941 118.454 1.487 19108 12639 1 14 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.935 0.277 19108 12640 1 14 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.873 0.342 19108 12641 1 14 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.301 1.463 19108 12642 1 14 . 1 1 186 186 LEU H H 186 8.953 8.953 8.560 0.393 19108 12643 1 14 . 1 1 187 187 SER N N 187 116.987 116.987 114.624 2.363 19108 12644 1 14 . 1 1 187 187 SER HA H 187 4.039 4.039 4.141 -0.102 19108 12645 1 14 . 1 1 187 187 SER CA C 187 63.302 63.302 61.938 1.364 19108 12646 1 14 . 1 1 187 187 SER CB C 187 62.760 62.760 62.009 0.751 19108 12647 1 14 . 1 1 187 187 SER H H 187 8.935 8.935 8.717 0.218 19108 12648 1 14 . 1 1 188 188 GLY N N 188 110.215 110.215 110.166 0.049 19108 12649 1 14 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.910 0.244 19108 12650 1 14 . 1 1 188 188 GLY H H 188 8.228 8.228 8.021 0.207 19108 12651 1 14 . 1 1 189 189 ARG N N 189 122.994 122.994 121.940 1.054 19108 12652 1 14 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.058 0.179 19108 12653 1 14 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.996 0.562 19108 12654 1 14 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.046 0.349 19108 12655 1 14 . 1 1 189 189 ARG H H 189 7.838 7.838 7.394 0.445 19108 12656 1 14 . 1 1 190 190 LEU N N 190 119.765 119.765 120.546 -0.781 19108 12657 1 14 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.076 0.162 19108 12658 1 14 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.239 -0.020 19108 12659 1 14 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.773 -0.531 19108 12660 1 14 . 1 1 190 190 LEU H H 190 8.791 8.791 7.848 0.943 19108 12661 1 14 . 1 1 191 191 ARG N N 191 118.427 118.427 117.441 0.986 19108 12662 1 14 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.989 0.054 19108 12663 1 14 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.910 0.872 19108 12664 1 14 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.764 0.427 19108 12665 1 14 . 1 1 191 191 ARG H H 191 8.305 8.305 8.507 -0.202 19108 12666 1 14 . 1 1 192 192 ALA N N 192 119.414 119.414 121.807 -2.393 19108 12667 1 14 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.255 -0.038 19108 12668 1 14 . 1 1 192 192 ALA CA C 192 54.716 54.716 53.937 0.779 19108 12669 1 14 . 1 1 192 192 ALA CB C 192 18.165 18.165 19.857 -1.692 19108 12670 1 14 . 1 1 192 192 ALA H H 192 7.414 7.414 7.467 -0.053 19108 12671 1 14 . 1 1 193 193 ILE N N 193 118.949 118.949 120.173 -1.224 19108 12672 1 14 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.806 -0.036 19108 12673 1 14 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.149 0.689 19108 12674 1 14 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.359 1.087 19108 12675 1 14 . 1 1 193 193 ILE H H 193 7.896 7.896 7.996 -0.100 19108 12676 1 14 . 1 1 194 194 LEU N N 194 116.435 116.435 118.567 -2.132 19108 12677 1 14 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.120 0.153 19108 12678 1 14 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.455 0.258 19108 12679 1 14 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.585 -1.114 19108 12680 1 14 . 1 1 194 194 LEU H H 194 8.296 8.296 8.374 -0.078 19108 12681 1 14 . 1 1 195 195 GLN N N 195 118.580 118.580 115.862 2.718 19108 12682 1 14 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.815 0.520 19108 12683 1 14 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.063 -1.646 19108 12684 1 14 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.999 1.599 19108 12685 1 14 . 1 1 195 195 GLN H H 195 7.921 7.921 8.150 -0.229 19108 12686 1 14 . 1 1 196 196 ASN N N 196 118.941 118.941 119.220 -0.279 19108 12687 1 14 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.450 0.252 19108 12688 1 14 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.090 -0.639 19108 12689 1 14 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.912 -0.087 19108 12690 1 14 . 1 1 196 196 ASN H H 196 8.078 8.078 8.579 -0.501 19108 12691 1 14 . 1 1 197 197 GLN N N 197 120.984 120.984 122.796 -1.812 19108 12692 1 14 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.442 -0.086 19108 12693 1 14 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.881 0.285 19108 12694 1 14 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.529 -0.033 19108 12695 1 14 . 1 1 197 197 GLN H H 197 8.526 8.526 8.631 -0.105 19108 12696 1 14 . 1 1 198 198 GLY N N 198 109.565 109.565 111.344 -1.779 19108 12697 1 14 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.300 0.084 19108 12698 1 14 . 1 1 198 198 GLY H H 198 8.467 8.467 8.868 -0.401 19108 12699 1 15 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.363 0.011 19108 12700 1 15 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.017 0.331 19108 12701 1 15 . 1 1 2 2 GLU CB C 2 30.453 30.453 28.043 2.410 19108 12702 1 15 . 1 1 3 3 ALA N N 3 125.932 125.932 126.149 -0.217 19108 12703 1 15 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.514 -0.164 19108 12704 1 15 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.164 0.243 19108 12705 1 15 . 1 1 3 3 ALA CB C 3 19.580 19.580 20.027 -0.448 19108 12706 1 15 . 1 1 3 3 ALA H H 3 8.526 8.526 7.868 0.658 19108 12707 1 15 . 1 1 4 4 SER N N 4 116.729 116.729 116.016 0.713 19108 12708 1 15 . 1 1 4 4 SER HA H 4 4.766 4.766 4.780 -0.014 19108 12709 1 15 . 1 1 4 4 SER CA C 4 56.283 56.283 55.574 0.709 19108 12710 1 15 . 1 1 4 4 SER CB C 4 63.278 63.278 63.672 -0.394 19108 12711 1 15 . 1 1 4 4 SER H H 4 8.397 8.397 8.399 -0.002 19108 12712 1 15 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.547 -0.101 19108 12713 1 15 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.999 0.307 19108 12714 1 15 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.939 0.159 19108 12715 1 15 . 1 1 6 6 ALA N N 6 124.236 124.236 123.102 1.134 19108 12716 1 15 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.151 0.182 19108 12717 1 15 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.293 0.270 19108 12718 1 15 . 1 1 6 6 ALA CB C 6 19.334 19.334 17.530 1.804 19108 12719 1 15 . 1 1 6 6 ALA H H 6 8.411 8.411 8.354 0.057 19108 12720 1 15 . 1 1 7 7 SER N N 7 114.497 114.497 114.545 -0.048 19108 12721 1 15 . 1 1 7 7 SER HA H 7 4.475 4.475 4.256 0.219 19108 12722 1 15 . 1 1 7 7 SER CA C 7 58.258 58.258 59.184 -0.925 19108 12723 1 15 . 1 1 7 7 SER CB C 7 64.174 64.174 63.307 0.867 19108 12724 1 15 . 1 1 7 7 SER H H 7 8.195 8.195 7.992 0.203 19108 12725 1 15 . 1 1 8 8 GLY N N 8 110.497 110.497 111.866 -1.369 19108 12726 1 15 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.445 0.401 19108 12727 1 15 . 1 1 8 8 GLY H H 8 8.226 8.226 8.349 -0.123 19108 12728 1 15 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.325 0.124 19108 12729 1 15 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.220 0.214 19108 12730 1 15 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.413 -0.219 19108 12731 1 15 . 1 1 10 10 ARG N N 10 120.534 120.534 119.279 1.255 19108 12732 1 15 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.622 -0.281 19108 12733 1 15 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.849 0.168 19108 12734 1 15 . 1 1 10 10 ARG CB C 10 30.809 30.809 32.983 -2.174 19108 12735 1 15 . 1 1 10 10 ARG H H 10 8.469 8.469 8.187 0.282 19108 12736 1 15 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.788 0.037 19108 12737 1 15 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.634 -0.173 19108 12738 1 15 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.676 -0.485 19108 12739 1 15 . 1 1 12 12 LEU N N 12 122.284 122.284 121.705 0.579 19108 12740 1 15 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.054 0.555 19108 12741 1 15 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.296 1.734 19108 12742 1 15 . 1 1 12 12 LEU H H 12 8.250 8.250 7.941 0.309 19108 12743 1 15 . 1 1 13 13 MET N N 13 121.493 121.493 116.638 4.855 19108 12744 1 15 . 1 1 13 13 MET HA H 13 4.038 4.038 4.601 -0.563 19108 12745 1 15 . 1 1 13 13 MET CA C 13 54.449 54.449 55.262 -0.813 19108 12746 1 15 . 1 1 13 13 MET CB C 13 35.015 35.015 33.721 1.294 19108 12747 1 15 . 1 1 13 13 MET H H 13 8.955 8.955 7.662 1.293 19108 12748 1 15 . 1 1 14 14 ASP N N 14 127.113 127.113 119.901 7.212 19108 12749 1 15 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.863 -0.763 19108 12750 1 15 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.926 -0.470 19108 12751 1 15 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.563 1.947 19108 12752 1 15 . 1 1 14 14 ASP H H 14 8.514 8.514 8.622 -0.108 19108 12753 1 15 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.205 -0.352 19108 12754 1 15 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.567 0.087 19108 12755 1 15 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.203 -0.552 19108 12756 1 15 . 1 1 16 16 HIS N N 16 115.776 115.776 116.252 -0.476 19108 12757 1 15 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.433 -0.155 19108 12758 1 15 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.895 -0.977 19108 12759 1 15 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.754 -0.546 19108 12760 1 15 . 1 1 16 16 HIS H H 16 8.591 8.591 8.429 0.162 19108 12761 1 15 . 1 1 17 17 ILE N N 17 122.675 122.675 119.759 2.916 19108 12762 1 15 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.768 -0.284 19108 12763 1 15 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.872 -1.646 19108 12764 1 15 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.990 -0.893 19108 12765 1 15 . 1 1 17 17 ILE H H 17 7.558 7.558 7.507 0.051 19108 12766 1 15 . 1 1 18 18 PHE N N 18 120.513 120.513 121.045 -0.532 19108 12767 1 15 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.352 -0.349 19108 12768 1 15 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.112 0.692 19108 12769 1 15 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.402 0.238 19108 12770 1 15 . 1 1 18 18 PHE H H 18 7.831 7.831 8.069 -0.238 19108 12771 1 15 . 1 1 19 19 THR N N 19 114.555 114.555 115.140 -0.585 19108 12772 1 15 . 1 1 19 19 THR HA H 19 3.657 3.657 4.228 -0.571 19108 12773 1 15 . 1 1 19 19 THR CA C 19 66.485 66.485 66.632 -0.147 19108 12774 1 15 . 1 1 19 19 THR CB C 19 68.345 68.345 68.489 -0.144 19108 12775 1 15 . 1 1 19 19 THR H H 19 9.036 9.036 8.317 0.719 19108 12776 1 15 . 1 1 20 20 SER N N 20 113.030 113.030 116.514 -3.484 19108 12777 1 15 . 1 1 20 20 SER HA H 20 4.062 4.062 4.024 0.038 19108 12778 1 15 . 1 1 20 20 SER CA C 20 60.610 60.610 61.535 -0.925 19108 12779 1 15 . 1 1 20 20 SER CB C 20 63.843 63.843 62.637 1.206 19108 12780 1 15 . 1 1 20 20 SER H H 20 7.809 7.809 8.323 -0.514 19108 12781 1 15 . 1 1 21 21 ASN N N 21 115.629 115.629 121.613 -5.984 19108 12782 1 15 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.306 0.105 19108 12783 1 15 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.643 1.346 19108 12784 1 15 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.498 3.082 19108 12785 1 15 . 1 1 21 21 ASN H H 21 7.362 7.362 7.543 -0.181 19108 12786 1 15 . 1 1 22 22 PHE N N 22 117.773 117.773 116.136 1.637 19108 12787 1 15 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.611 -0.338 19108 12788 1 15 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.542 -1.082 19108 12789 1 15 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.184 -0.354 19108 12790 1 15 . 1 1 22 22 PHE H H 22 8.296 8.296 8.310 -0.014 19108 12791 1 15 . 1 1 23 23 ASN N N 23 115.026 115.026 119.407 -4.381 19108 12792 1 15 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.646 -0.117 19108 12793 1 15 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.231 0.411 19108 12794 1 15 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.588 -1.965 19108 12795 1 15 . 1 1 23 23 ASN H H 23 6.097 6.097 7.516 -1.419 19108 12796 1 15 . 1 1 24 24 ASN N N 24 122.900 122.900 117.411 5.489 19108 12797 1 15 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.483 -0.050 19108 12798 1 15 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.209 -0.936 19108 12799 1 15 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.941 -0.049 19108 12800 1 15 . 1 1 24 24 ASN H H 24 7.083 7.083 7.869 -0.786 19108 12801 1 15 . 1 1 25 25 GLY N N 25 105.587 105.587 107.568 -1.981 19108 12802 1 15 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.861 0.004 19108 12803 1 15 . 1 1 25 25 GLY H H 25 8.520 8.520 8.188 0.332 19108 12804 1 15 . 1 1 26 26 ILE N N 26 120.182 120.182 120.904 -0.722 19108 12805 1 15 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.614 -0.440 19108 12806 1 15 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.461 1.982 19108 12807 1 15 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.344 1.171 19108 12808 1 15 . 1 1 26 26 ILE H H 26 6.944 6.944 7.568 -0.624 19108 12809 1 15 . 1 1 27 27 GLY N N 27 111.665 111.665 107.301 4.364 19108 12810 1 15 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.989 0.330 19108 12811 1 15 . 1 1 27 27 GLY H H 27 8.457 8.457 8.079 0.378 19108 12812 1 15 . 1 1 28 28 ARG N N 28 117.565 117.565 119.118 -1.553 19108 12813 1 15 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.569 -1.004 19108 12814 1 15 . 1 1 28 28 ARG H H 28 6.741 6.741 8.311 -1.570 19108 12815 1 15 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.559 2.444 19108 12816 1 15 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.394 -0.350 19108 12817 1 15 . 1 1 29 29 HIS H H 29 8.636 8.636 7.872 0.764 19108 12818 1 15 . 1 1 30 30 LYS N N 30 119.344 119.344 123.707 -4.363 19108 12819 1 15 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.410 0.011 19108 12820 1 15 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.286 0.578 19108 12821 1 15 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.494 1.697 19108 12822 1 15 . 1 1 30 30 LYS H H 30 7.870 7.870 7.742 0.128 19108 12823 1 15 . 1 1 31 31 THR N N 31 118.233 118.233 111.547 6.686 19108 12824 1 15 . 1 1 31 31 THR HA H 31 4.125 4.125 3.692 0.433 19108 12825 1 15 . 1 1 31 31 THR CA C 31 63.175 63.175 62.970 0.205 19108 12826 1 15 . 1 1 31 31 THR H H 31 8.436 8.436 7.085 1.351 19108 12827 1 15 . 1 1 32 32 TYR N N 32 124.026 124.026 120.476 3.550 19108 12828 1 15 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.149 -0.213 19108 12829 1 15 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.143 0.358 19108 12830 1 15 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.991 1.413 19108 12831 1 15 . 1 1 32 32 TYR H H 32 8.244 8.244 8.658 -0.414 19108 12832 1 15 . 1 1 33 33 LEU N N 33 125.428 125.428 124.483 0.945 19108 12833 1 15 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.394 -0.315 19108 12834 1 15 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.112 1.726 19108 12835 1 15 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.507 1.477 19108 12836 1 15 . 1 1 33 33 LEU H H 33 9.232 9.232 8.604 0.628 19108 12837 1 15 . 1 1 34 34 CYS N N 34 125.975 125.975 125.586 0.389 19108 12838 1 15 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.948 0.058 19108 12839 1 15 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.892 1.254 19108 12840 1 15 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.918 1.384 19108 12841 1 15 . 1 1 34 34 CYS H H 34 9.640 9.640 8.748 0.892 19108 12842 1 15 . 1 1 35 35 TYR N N 35 121.183 121.183 121.694 -0.511 19108 12843 1 15 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.626 0.862 19108 12844 1 15 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.869 -0.087 19108 12845 1 15 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.057 2.033 19108 12846 1 15 . 1 1 35 35 TYR H H 35 9.094 9.094 8.458 0.636 19108 12847 1 15 . 1 1 36 36 GLU N N 36 115.538 115.538 122.159 -6.621 19108 12848 1 15 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.897 0.538 19108 12849 1 15 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.425 0.966 19108 12850 1 15 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.354 0.190 19108 12851 1 15 . 1 1 36 36 GLU H H 36 8.977 8.977 8.521 0.456 19108 12852 1 15 . 1 1 37 37 VAL N N 37 121.600 121.600 126.537 -4.937 19108 12853 1 15 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.386 0.773 19108 12854 1 15 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.804 -0.756 19108 12855 1 15 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.468 1.603 19108 12856 1 15 . 1 1 37 37 VAL H H 37 9.271 9.271 8.869 0.402 19108 12857 1 15 . 1 1 38 38 GLU N N 38 125.227 125.227 126.837 -1.610 19108 12858 1 15 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.304 -0.086 19108 12859 1 15 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.020 -0.768 19108 12860 1 15 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.419 1.508 19108 12861 1 15 . 1 1 38 38 GLU H H 38 9.114 9.114 8.498 0.616 19108 12862 1 15 . 1 1 39 39 ARG N N 39 124.872 124.872 125.808 -0.936 19108 12863 1 15 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.676 0.689 19108 12864 1 15 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.998 0.249 19108 12865 1 15 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.588 -0.023 19108 12866 1 15 . 1 1 39 39 ARG H H 39 9.215 9.215 8.425 0.790 19108 12867 1 15 . 1 1 40 40 LEU N N 40 126.510 126.510 126.312 0.198 19108 12868 1 15 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.142 0.611 19108 12869 1 15 . 1 1 40 40 LEU CA C 40 54.323 54.323 56.213 -1.890 19108 12870 1 15 . 1 1 40 40 LEU CB C 40 40.843 40.843 41.364 -0.521 19108 12871 1 15 . 1 1 40 40 LEU H H 40 8.659 8.659 7.750 0.909 19108 12872 1 15 . 1 1 41 41 ASP N N 41 124.410 124.410 125.208 -0.798 19108 12873 1 15 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.744 0.049 19108 12874 1 15 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.816 -0.598 19108 12875 1 15 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.288 -0.555 19108 12876 1 15 . 1 1 41 41 ASP H H 41 8.575 8.575 8.285 0.290 19108 12877 1 15 . 1 1 42 42 ASN N N 42 123.319 123.319 122.189 1.130 19108 12878 1 15 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.355 0.065 19108 12879 1 15 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.584 0.589 19108 12880 1 15 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.480 -0.633 19108 12881 1 15 . 1 1 42 42 ASN H H 42 9.048 9.048 9.081 -0.033 19108 12882 1 15 . 1 1 43 43 GLY N N 43 106.044 106.044 102.726 3.318 19108 12883 1 15 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.755 -0.361 19108 12884 1 15 . 1 1 43 43 GLY H H 43 8.548 8.548 8.585 -0.037 19108 12885 1 15 . 1 1 44 44 THR N N 44 115.893 115.893 118.378 -2.485 19108 12886 1 15 . 1 1 44 44 THR HA H 44 4.524 4.524 4.488 0.036 19108 12887 1 15 . 1 1 44 44 THR CA C 44 61.285 61.285 61.458 -0.173 19108 12888 1 15 . 1 1 44 44 THR CB C 44 70.572 70.572 70.362 0.210 19108 12889 1 15 . 1 1 44 44 THR H H 44 7.833 7.833 7.696 0.137 19108 12890 1 15 . 1 1 45 45 SER N N 45 119.589 119.589 122.600 -3.011 19108 12891 1 15 . 1 1 45 45 SER HA H 45 4.804 4.804 4.785 0.018 19108 12892 1 15 . 1 1 45 45 SER CA C 45 58.080 58.080 57.501 0.579 19108 12893 1 15 . 1 1 45 45 SER CB C 45 64.265 64.265 63.403 0.862 19108 12894 1 15 . 1 1 45 45 SER H H 45 8.590 8.590 8.687 -0.097 19108 12895 1 15 . 1 1 46 46 VAL N N 46 125.827 125.827 127.036 -1.209 19108 12896 1 15 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.267 0.026 19108 12897 1 15 . 1 1 46 46 VAL CA C 46 61.843 61.843 62.007 -0.164 19108 12898 1 15 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.070 0.447 19108 12899 1 15 . 1 1 46 46 VAL H H 46 9.034 9.034 8.181 0.853 19108 12900 1 15 . 1 1 47 47 LYS N N 47 126.528 126.528 126.622 -0.094 19108 12901 1 15 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.960 -0.675 19108 12902 1 15 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.494 2.171 19108 12903 1 15 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.602 -0.810 19108 12904 1 15 . 1 1 47 47 LYS H H 47 8.738 8.738 8.418 0.320 19108 12905 1 15 . 1 1 48 48 MET N N 48 122.645 122.645 122.631 0.014 19108 12906 1 15 . 1 1 48 48 MET HA H 48 5.195 5.195 4.711 0.484 19108 12907 1 15 . 1 1 48 48 MET CA C 48 54.747 54.747 55.208 -0.461 19108 12908 1 15 . 1 1 48 48 MET CB C 48 32.379 32.379 34.641 -2.262 19108 12909 1 15 . 1 1 48 48 MET H H 48 8.334 8.334 8.083 0.251 19108 12910 1 15 . 1 1 49 49 ASP N N 49 123.713 123.713 120.992 2.721 19108 12911 1 15 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.515 -0.091 19108 12912 1 15 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.338 0.272 19108 12913 1 15 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.226 -0.192 19108 12914 1 15 . 1 1 49 49 ASP H H 49 8.575 8.575 8.704 -0.129 19108 12915 1 15 . 1 1 50 50 GLN N N 50 117.540 117.540 117.612 -0.072 19108 12916 1 15 . 1 1 50 50 GLN H H 50 9.110 9.110 8.423 0.687 19108 12917 1 15 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.742 0.409 19108 12918 1 15 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.271 -1.437 19108 12919 1 15 . 1 1 51 51 HIS H H 51 8.031 8.031 8.156 -0.125 19108 12920 1 15 . 1 1 52 52 ARG N N 52 117.888 117.888 119.523 -1.635 19108 12921 1 15 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.408 0.829 19108 12922 1 15 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.805 0.250 19108 12923 1 15 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.824 0.230 19108 12924 1 15 . 1 1 52 52 ARG H H 52 7.685 7.685 7.441 0.244 19108 12925 1 15 . 1 1 53 53 GLY N N 53 108.573 108.573 105.537 3.036 19108 12926 1 15 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.287 0.421 19108 12927 1 15 . 1 1 53 53 GLY H H 53 7.529 7.529 7.251 0.278 19108 12928 1 15 . 1 1 54 54 PHE N N 54 113.146 113.146 115.837 -2.691 19108 12929 1 15 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.622 0.373 19108 12930 1 15 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.592 -0.736 19108 12931 1 15 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.870 2.493 19108 12932 1 15 . 1 1 54 54 PHE H H 54 8.287 8.287 7.941 0.346 19108 12933 1 15 . 1 1 55 55 LEU N N 55 119.389 119.389 119.483 -0.094 19108 12934 1 15 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.483 0.212 19108 12935 1 15 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.244 0.468 19108 12936 1 15 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.551 0.077 19108 12937 1 15 . 1 1 55 55 LEU H H 55 9.452 9.452 8.918 0.534 19108 12938 1 15 . 1 1 56 56 HIS N N 56 114.176 114.176 115.422 -1.246 19108 12939 1 15 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.921 0.518 19108 12940 1 15 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.166 0.299 19108 12941 1 15 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.470 -1.003 19108 12942 1 15 . 1 1 56 56 HIS H H 56 7.709 7.709 7.411 0.298 19108 12943 1 15 . 1 1 57 57 ASN N N 57 116.522 116.522 120.539 -4.017 19108 12944 1 15 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.346 0.069 19108 12945 1 15 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.770 0.413 19108 12946 1 15 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.810 -1.148 19108 12947 1 15 . 1 1 57 57 ASN H H 57 8.684 8.684 7.882 0.802 19108 12948 1 15 . 1 1 58 58 GLN N N 58 122.850 122.850 120.051 2.799 19108 12949 1 15 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.645 0.744 19108 12950 1 15 . 1 1 58 58 GLN CA C 58 54.853 54.853 58.522 -3.669 19108 12951 1 15 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.581 1.801 19108 12952 1 15 . 1 1 58 58 GLN H H 58 9.099 9.099 8.151 0.948 19108 12953 1 15 . 1 1 59 59 ALA HA H 59 4.300 4.300 3.987 0.313 19108 12954 1 15 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.201 0.303 19108 12955 1 15 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.374 0.047 19108 12956 1 15 . 1 1 60 60 LYS N N 60 119.998 119.998 122.133 -2.135 19108 12957 1 15 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.224 -0.448 19108 12958 1 15 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.052 -0.751 19108 12959 1 15 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.707 0.109 19108 12960 1 15 . 1 1 60 60 LYS H H 60 8.344 8.344 8.581 -0.237 19108 12961 1 15 . 1 1 61 61 ASN N N 61 119.688 119.688 121.876 -2.188 19108 12962 1 15 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.817 -0.362 19108 12963 1 15 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.218 -0.314 19108 12964 1 15 . 1 1 61 61 ASN CB C 61 38.537 38.537 40.083 -1.546 19108 12965 1 15 . 1 1 61 61 ASN H H 61 8.643 8.643 8.723 -0.080 19108 12966 1 15 . 1 1 62 62 LEU N N 62 124.761 124.761 123.595 1.166 19108 12967 1 15 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.472 -0.538 19108 12968 1 15 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.386 1.859 19108 12969 1 15 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.478 -0.535 19108 12970 1 15 . 1 1 62 62 LEU H H 62 8.873 8.873 8.791 0.082 19108 12971 1 15 . 1 1 63 63 LEU N N 63 120.312 120.312 120.408 -0.096 19108 12972 1 15 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.141 0.058 19108 12973 1 15 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.465 -0.388 19108 12974 1 15 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.583 -0.326 19108 12975 1 15 . 1 1 63 63 LEU H H 63 8.145 8.145 8.198 -0.053 19108 12976 1 15 . 1 1 64 64 CYS N N 64 113.898 113.898 115.117 -1.219 19108 12977 1 15 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.480 -0.309 19108 12978 1 15 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.749 -1.965 19108 12979 1 15 . 1 1 64 64 CYS CB C 64 28.718 28.718 30.109 -1.391 19108 12980 1 15 . 1 1 64 64 CYS H H 64 7.376 7.376 7.660 -0.284 19108 12981 1 15 . 1 1 65 65 GLY N N 65 108.894 108.894 107.475 1.419 19108 12982 1 15 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.970 1.013 19108 12983 1 15 . 1 1 65 65 GLY H H 65 7.789 7.789 7.536 0.253 19108 12984 1 15 . 1 1 66 66 PHE N N 66 118.711 118.711 118.591 0.120 19108 12985 1 15 . 1 1 66 66 PHE HA H 66 3.917 3.917 3.995 -0.078 19108 12986 1 15 . 1 1 66 66 PHE CA C 66 55.940 55.940 59.265 -3.325 19108 12987 1 15 . 1 1 66 66 PHE CB C 66 40.268 40.268 38.151 2.117 19108 12988 1 15 . 1 1 66 66 PHE H H 66 7.699 7.699 7.864 -0.165 19108 12989 1 15 . 1 1 67 67 TYR N N 67 124.623 124.623 124.321 0.302 19108 12990 1 15 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.640 -0.340 19108 12991 1 15 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.231 1.533 19108 12992 1 15 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.613 -1.460 19108 12993 1 15 . 1 1 67 67 TYR H H 67 8.568 8.568 8.326 0.242 19108 12994 1 15 . 1 1 69 69 ARG N N 69 121.427 121.427 122.868 -1.441 19108 12995 1 15 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.459 2.598 19108 12996 1 15 . 1 1 69 69 ARG CB C 69 32.296 32.296 34.572 -2.276 19108 12997 1 15 . 1 1 69 69 ARG H H 69 8.313 8.313 8.430 -0.117 19108 12998 1 15 . 1 1 70 70 HIS N N 70 128.351 128.351 120.270 8.081 19108 12999 1 15 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.749 0.033 19108 13000 1 15 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.256 1.460 19108 13001 1 15 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.139 1.637 19108 13002 1 15 . 1 1 70 70 HIS H H 70 9.182 9.182 8.043 1.139 19108 13003 1 15 . 1 1 71 71 ALA N N 71 125.649 125.649 127.253 -1.604 19108 13004 1 15 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.764 -0.407 19108 13005 1 15 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.823 -0.041 19108 13006 1 15 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.745 -0.735 19108 13007 1 15 . 1 1 71 71 ALA H H 71 8.968 8.968 9.005 -0.037 19108 13008 1 15 . 1 1 72 72 GLU N N 72 119.941 119.941 117.717 2.224 19108 13009 1 15 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.737 -0.760 19108 13010 1 15 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.146 1.810 19108 13011 1 15 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.140 -1.134 19108 13012 1 15 . 1 1 72 72 GLU H H 72 12.692 12.692 8.597 4.095 19108 13013 1 15 . 1 1 73 73 LEU N N 73 114.882 114.882 121.279 -6.397 19108 13014 1 15 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.175 -0.590 19108 13015 1 15 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.860 -1.199 19108 13016 1 15 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.621 -2.376 19108 13017 1 15 . 1 1 73 73 LEU H H 73 6.637 6.637 7.925 -1.288 19108 13018 1 15 . 1 1 74 74 ARG N N 74 117.799 117.799 118.072 -0.273 19108 13019 1 15 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.183 -0.141 19108 13020 1 15 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.069 -0.894 19108 13021 1 15 . 1 1 74 74 ARG H H 74 7.556 7.556 7.948 -0.392 19108 13022 1 15 . 1 1 75 75 PHE N N 75 119.783 119.783 118.082 1.701 19108 13023 1 15 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.156 -0.595 19108 13024 1 15 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.176 2.498 19108 13025 1 15 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.319 -1.281 19108 13026 1 15 . 1 1 75 75 PHE H H 75 8.233 8.233 7.486 0.747 19108 13027 1 15 . 1 1 76 76 LEU N N 76 119.526 119.526 120.911 -1.385 19108 13028 1 15 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.518 0.040 19108 13029 1 15 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.087 0.952 19108 13030 1 15 . 1 1 76 76 LEU CB C 76 39.016 39.016 40.310 -1.294 19108 13031 1 15 . 1 1 76 76 LEU H H 76 7.629 7.629 7.994 -0.365 19108 13032 1 15 . 1 1 77 77 ASP N N 77 118.215 118.215 118.983 -0.768 19108 13033 1 15 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.333 -0.175 19108 13034 1 15 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.734 -0.334 19108 13035 1 15 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.182 -0.814 19108 13036 1 15 . 1 1 77 77 ASP H H 77 8.190 8.190 7.468 0.722 19108 13037 1 15 . 1 1 78 78 LEU N N 78 117.496 117.496 118.962 -1.466 19108 13038 1 15 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.207 0.083 19108 13039 1 15 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.429 0.556 19108 13040 1 15 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.307 0.094 19108 13041 1 15 . 1 1 78 78 LEU H H 78 7.252 7.252 7.639 -0.387 19108 13042 1 15 . 1 1 79 79 VAL N N 79 120.915 120.915 121.895 -0.980 19108 13043 1 15 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.591 -0.368 19108 13044 1 15 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.113 0.415 19108 13045 1 15 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.811 0.309 19108 13046 1 15 . 1 1 79 79 VAL H H 79 7.179 7.179 6.865 0.314 19108 13047 1 15 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.311 -0.337 19108 13048 1 15 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.498 1.289 19108 13049 1 15 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.096 -1.288 19108 13050 1 15 . 1 1 81 81 SER N N 81 112.727 112.727 111.747 0.980 19108 13051 1 15 . 1 1 81 81 SER HA H 81 4.314 4.314 4.367 -0.053 19108 13052 1 15 . 1 1 81 81 SER CA C 81 60.618 60.618 60.164 0.454 19108 13053 1 15 . 1 1 81 81 SER CB C 81 63.450 63.450 63.536 -0.086 19108 13054 1 15 . 1 1 81 81 SER H H 81 7.828 7.828 7.685 0.143 19108 13055 1 15 . 1 1 82 82 LEU N N 82 120.918 120.918 119.450 1.468 19108 13056 1 15 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.827 -0.953 19108 13057 1 15 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.935 0.557 19108 13058 1 15 . 1 1 82 82 LEU CB C 82 40.211 40.211 44.033 -3.822 19108 13059 1 15 . 1 1 82 82 LEU H H 82 7.912 7.912 7.860 0.052 19108 13060 1 15 . 1 1 83 83 GLN N N 83 111.397 111.397 115.623 -4.226 19108 13061 1 15 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.926 -0.118 19108 13062 1 15 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.163 0.003 19108 13063 1 15 . 1 1 83 83 GLN CB C 83 26.668 26.668 25.696 0.972 19108 13064 1 15 . 1 1 83 83 GLN H H 83 7.458 7.458 7.945 -0.487 19108 13065 1 15 . 1 1 84 84 LEU N N 84 118.520 118.520 121.283 -2.763 19108 13066 1 15 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.114 -0.395 19108 13067 1 15 . 1 1 84 84 LEU CA C 84 54.742 54.742 54.903 -0.161 19108 13068 1 15 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.035 -1.790 19108 13069 1 15 . 1 1 84 84 LEU H H 84 8.736 8.736 8.234 0.502 19108 13070 1 15 . 1 1 85 85 ASP N N 85 126.187 126.187 127.507 -1.320 19108 13071 1 15 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.730 0.153 19108 13072 1 15 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.154 -0.808 19108 13073 1 15 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.433 0.515 19108 13074 1 15 . 1 1 85 85 ASP H H 85 8.415 8.415 7.842 0.573 19108 13075 1 15 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.520 0.408 19108 13076 1 15 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.499 0.139 19108 13077 1 15 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.044 -0.757 19108 13078 1 15 . 1 1 87 87 ALA N N 87 121.030 121.030 121.561 -0.531 19108 13079 1 15 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.046 0.372 19108 13080 1 15 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.167 -1.996 19108 13081 1 15 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.521 0.827 19108 13082 1 15 . 1 1 87 87 ALA H H 87 8.504 8.504 8.236 0.268 19108 13083 1 15 . 1 1 88 88 GLN N N 88 119.601 119.601 116.114 3.487 19108 13084 1 15 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.445 0.077 19108 13085 1 15 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.408 -0.974 19108 13086 1 15 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.683 -0.635 19108 13087 1 15 . 1 1 88 88 GLN H H 88 8.125 8.125 8.330 -0.205 19108 13088 1 15 . 1 1 89 89 ILE N N 89 118.195 118.195 117.746 0.449 19108 13089 1 15 . 1 1 89 89 ILE HA H 89 4.969 4.969 5.200 -0.231 19108 13090 1 15 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.971 -0.430 19108 13091 1 15 . 1 1 89 89 ILE CB C 89 39.252 39.252 40.264 -1.012 19108 13092 1 15 . 1 1 89 89 ILE H H 89 8.099 8.099 8.032 0.067 19108 13093 1 15 . 1 1 90 90 TYR N N 90 122.421 122.421 121.275 1.146 19108 13094 1 15 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.284 0.077 19108 13095 1 15 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.155 -1.115 19108 13096 1 15 . 1 1 90 90 TYR CB C 90 42.826 42.826 42.461 0.365 19108 13097 1 15 . 1 1 90 90 TYR H H 90 8.892 8.892 8.288 0.604 19108 13098 1 15 . 1 1 91 91 ARG N N 91 121.043 121.043 123.028 -1.985 19108 13099 1 15 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.811 0.432 19108 13100 1 15 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.148 -0.613 19108 13101 1 15 . 1 1 91 91 ARG CB C 91 33.132 33.132 31.544 1.588 19108 13102 1 15 . 1 1 91 91 ARG H H 91 9.327 9.327 9.361 -0.034 19108 13103 1 15 . 1 1 92 92 VAL N N 92 132.287 132.287 126.963 5.324 19108 13104 1 15 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.126 -0.202 19108 13105 1 15 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.242 0.663 19108 13106 1 15 . 1 1 92 92 VAL CB C 92 32.853 32.853 34.616 -1.763 19108 13107 1 15 . 1 1 92 92 VAL H H 92 9.668 9.668 8.574 1.094 19108 13108 1 15 . 1 1 93 93 THR N N 93 124.468 124.468 126.104 -1.636 19108 13109 1 15 . 1 1 93 93 THR HA H 93 5.264 5.264 4.734 0.530 19108 13110 1 15 . 1 1 93 93 THR CA C 93 61.616 61.616 62.694 -1.079 19108 13111 1 15 . 1 1 93 93 THR CB C 93 70.082 70.082 69.581 0.501 19108 13112 1 15 . 1 1 93 93 THR H H 93 9.381 9.381 8.961 0.420 19108 13113 1 15 . 1 1 94 94 TRP N N 94 124.491 124.491 127.875 -3.384 19108 13114 1 15 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.959 0.707 19108 13115 1 15 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.151 -2.946 19108 13116 1 15 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.886 2.782 19108 13117 1 15 . 1 1 94 94 TRP H H 94 9.071 9.071 9.224 -0.153 19108 13118 1 15 . 1 1 95 95 PHE N N 95 122.179 122.179 122.658 -0.479 19108 13119 1 15 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.003 0.667 19108 13120 1 15 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.216 -0.442 19108 13121 1 15 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.513 -1.064 19108 13122 1 15 . 1 1 95 95 PHE H H 95 9.578 9.578 8.489 1.089 19108 13123 1 15 . 1 1 96 96 ILE N N 96 125.072 125.072 122.107 2.965 19108 13124 1 15 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.201 0.772 19108 13125 1 15 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.941 -1.514 19108 13126 1 15 . 1 1 96 96 ILE CB C 96 45.073 45.073 39.875 5.198 19108 13127 1 15 . 1 1 96 96 ILE H H 96 9.816 9.816 8.501 1.315 19108 13128 1 15 . 1 1 97 97 SER N N 97 124.020 124.020 119.767 4.253 19108 13129 1 15 . 1 1 97 97 SER HA H 97 3.623 3.623 4.743 -1.120 19108 13130 1 15 . 1 1 97 97 SER CA C 97 61.750 61.750 60.301 1.449 19108 13131 1 15 . 1 1 97 97 SER CB C 97 63.711 63.711 63.843 -0.132 19108 13132 1 15 . 1 1 97 97 SER H H 97 9.156 9.156 8.473 0.683 19108 13133 1 15 . 1 1 98 98 TRP N N 98 114.829 114.829 121.383 -6.554 19108 13134 1 15 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.192 0.147 19108 13135 1 15 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.237 -2.566 19108 13136 1 15 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.500 3.251 19108 13137 1 15 . 1 1 98 98 TRP H H 98 6.619 6.619 7.947 -1.328 19108 13138 1 15 . 1 1 99 99 SER N N 99 115.444 115.444 117.886 -2.442 19108 13139 1 15 . 1 1 99 99 SER CA C 99 58.045 58.045 57.703 0.342 19108 13140 1 15 . 1 1 99 99 SER CB C 99 61.927 61.927 63.634 -1.707 19108 13141 1 15 . 1 1 99 99 SER H H 99 8.590 8.590 8.294 0.296 19108 13142 1 15 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.548 -1.623 19108 13143 1 15 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.458 2.338 19108 13144 1 15 . 1 1 101 101 CYS N N 101 121.768 121.768 114.802 6.966 19108 13145 1 15 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.367 0.292 19108 13146 1 15 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.288 0.901 19108 13147 1 15 . 1 1 101 101 CYS H H 101 8.686 8.686 8.227 0.459 19108 13148 1 15 . 1 1 102 102 PHE N N 102 115.031 115.031 120.212 -5.181 19108 13149 1 15 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.387 2.573 19108 13150 1 15 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.045 -1.888 19108 13151 1 15 . 1 1 102 102 PHE H H 102 9.318 9.318 7.674 1.644 19108 13152 1 15 . 1 1 103 103 SER N N 103 119.552 119.552 121.679 -2.127 19108 13153 1 15 . 1 1 103 103 SER HA H 103 3.713 3.713 4.172 -0.459 19108 13154 1 15 . 1 1 103 103 SER CA C 103 63.368 63.368 62.520 0.848 19108 13155 1 15 . 1 1 103 103 SER CB C 103 60.539 60.539 63.285 -2.746 19108 13156 1 15 . 1 1 103 103 SER H H 103 10.858 10.858 9.134 1.724 19108 13157 1 15 . 1 1 104 104 TRP N N 104 117.909 117.909 119.570 -1.661 19108 13158 1 15 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.790 -1.014 19108 13159 1 15 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.306 0.908 19108 13160 1 15 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.483 -1.597 19108 13161 1 15 . 1 1 104 104 TRP H H 104 7.880 7.880 8.783 -0.903 19108 13162 1 15 . 1 1 105 105 GLY N N 105 106.359 106.359 108.757 -2.398 19108 13163 1 15 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.031 -0.950 19108 13164 1 15 . 1 1 105 105 GLY H H 105 7.468 7.468 8.717 -1.249 19108 13165 1 15 . 1 1 106 106 CYS N N 106 120.359 120.359 121.552 -1.193 19108 13166 1 15 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.574 -0.715 19108 13167 1 15 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.842 4.260 19108 13168 1 15 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.397 2.321 19108 13169 1 15 . 1 1 106 106 CYS H H 106 7.366 7.366 8.454 -1.088 19108 13170 1 15 . 1 1 107 107 ALA N N 107 119.725 119.725 122.715 -2.990 19108 13171 1 15 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.112 -0.247 19108 13172 1 15 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.193 1.741 19108 13173 1 15 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.020 0.423 19108 13174 1 15 . 1 1 107 107 ALA H H 107 8.719 8.719 8.586 0.133 19108 13175 1 15 . 1 1 108 108 GLY N N 108 103.829 103.829 107.464 -3.635 19108 13176 1 15 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.228 -0.334 19108 13177 1 15 . 1 1 108 108 GLY H H 108 8.555 8.555 8.389 0.166 19108 13178 1 15 . 1 1 109 109 GLU N N 109 123.162 123.162 122.308 0.854 19108 13179 1 15 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.108 0.158 19108 13180 1 15 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.194 0.098 19108 13181 1 15 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.776 0.606 19108 13182 1 15 . 1 1 109 109 GLU H H 109 8.023 8.023 7.746 0.277 19108 13183 1 15 . 1 1 110 110 VAL N N 110 121.866 121.866 119.663 2.203 19108 13184 1 15 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.757 -0.058 19108 13185 1 15 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.132 0.911 19108 13186 1 15 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.467 -0.461 19108 13187 1 15 . 1 1 110 110 VAL H H 110 8.942 8.942 8.056 0.886 19108 13188 1 15 . 1 1 111 111 ARG N N 111 120.587 120.587 120.775 -0.188 19108 13189 1 15 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.790 -0.004 19108 13190 1 15 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.966 0.115 19108 13191 1 15 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.016 -0.841 19108 13192 1 15 . 1 1 111 111 ARG H H 111 8.653 8.653 8.470 0.183 19108 13193 1 15 . 1 1 112 112 ALA N N 112 120.687 120.687 121.246 -0.559 19108 13194 1 15 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.017 0.117 19108 13195 1 15 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.056 0.362 19108 13196 1 15 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.072 -0.081 19108 13197 1 15 . 1 1 112 112 ALA H H 112 7.875 7.875 7.923 -0.048 19108 13198 1 15 . 1 1 113 113 PHE N N 113 118.950 118.950 119.700 -0.750 19108 13199 1 15 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.104 0.233 19108 13200 1 15 . 1 1 113 113 PHE CA C 113 61.376 61.376 62.038 -0.662 19108 13201 1 15 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.111 0.276 19108 13202 1 15 . 1 1 113 113 PHE H H 113 8.139 8.139 7.702 0.437 19108 13203 1 15 . 1 1 114 114 LEU N N 114 120.595 120.595 119.292 1.303 19108 13204 1 15 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.780 0.020 19108 13205 1 15 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.463 -1.330 19108 13206 1 15 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.685 -0.776 19108 13207 1 15 . 1 1 114 114 LEU H H 114 8.639 8.639 8.354 0.285 19108 13208 1 15 . 1 1 115 115 GLN N N 115 117.666 117.666 117.305 0.361 19108 13209 1 15 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.985 0.038 19108 13210 1 15 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.446 -0.060 19108 13211 1 15 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.491 0.046 19108 13212 1 15 . 1 1 115 115 GLN H H 115 8.167 8.167 8.339 -0.172 19108 13213 1 15 . 1 1 116 116 GLU N N 116 115.380 115.380 116.975 -1.595 19108 13214 1 15 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.322 0.000 19108 13215 1 15 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.432 0.630 19108 13216 1 15 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.672 0.043 19108 13217 1 15 . 1 1 116 116 GLU H H 116 7.448 7.448 7.954 -0.506 19108 13218 1 15 . 1 1 117 117 ASN N N 117 119.831 119.831 118.020 1.811 19108 13219 1 15 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.986 0.079 19108 13220 1 15 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.561 -0.376 19108 13221 1 15 . 1 1 117 117 ASN CB C 117 38.246 38.246 40.041 -1.795 19108 13222 1 15 . 1 1 117 117 ASN H H 117 7.632 7.632 7.902 -0.270 19108 13223 1 15 . 1 1 118 118 THR N N 118 111.041 111.041 114.620 -3.579 19108 13224 1 15 . 1 1 118 118 THR HA H 118 4.317 4.317 4.080 0.237 19108 13225 1 15 . 1 1 118 118 THR CA C 118 64.081 64.081 64.420 -0.339 19108 13226 1 15 . 1 1 118 118 THR CB C 118 68.767 68.767 68.296 0.470 19108 13227 1 15 . 1 1 118 118 THR H H 118 8.054 8.054 7.795 0.259 19108 13228 1 15 . 1 1 119 119 HIS N N 119 120.403 120.403 117.073 3.330 19108 13229 1 15 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.517 -0.228 19108 13230 1 15 . 1 1 119 119 HIS CA C 119 56.601 56.601 56.030 0.571 19108 13231 1 15 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.759 1.561 19108 13232 1 15 . 1 1 119 119 HIS H H 119 9.248 9.248 8.272 0.976 19108 13233 1 15 . 1 1 120 120 VAL N N 120 120.001 120.001 112.769 7.232 19108 13234 1 15 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.868 -0.342 19108 13235 1 15 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.568 2.322 19108 13236 1 15 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.391 -2.396 19108 13237 1 15 . 1 1 120 120 VAL H H 120 7.379 7.379 7.163 0.216 19108 13238 1 15 . 1 1 121 121 ARG N N 121 125.312 125.312 120.299 5.013 19108 13239 1 15 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.682 0.128 19108 13240 1 15 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.118 -1.051 19108 13241 1 15 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.914 -2.334 19108 13242 1 15 . 1 1 121 121 ARG H H 121 8.775 8.775 8.165 0.610 19108 13243 1 15 . 1 1 122 122 LEU N N 122 125.483 125.483 123.985 1.498 19108 13244 1 15 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.702 0.458 19108 13245 1 15 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.816 -0.515 19108 13246 1 15 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.993 2.679 19108 13247 1 15 . 1 1 122 122 LEU H H 122 9.345 9.345 8.647 0.698 19108 13248 1 15 . 1 1 123 123 ARG N N 123 127.748 127.748 126.191 1.557 19108 13249 1 15 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.444 0.292 19108 13250 1 15 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.625 -0.458 19108 13251 1 15 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.373 0.439 19108 13252 1 15 . 1 1 123 123 ARG H H 123 9.053 9.053 8.149 0.904 19108 13253 1 15 . 1 1 124 124 ILE N N 124 123.665 123.665 123.521 0.144 19108 13254 1 15 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.430 0.012 19108 13255 1 15 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.292 0.466 19108 13256 1 15 . 1 1 124 124 ILE CB C 124 41.893 41.893 41.117 0.776 19108 13257 1 15 . 1 1 124 124 ILE H H 124 9.019 9.019 8.637 0.382 19108 13258 1 15 . 1 1 125 125 PHE N N 125 126.320 126.320 125.809 0.511 19108 13259 1 15 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.435 -0.270 19108 13260 1 15 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.788 0.126 19108 13261 1 15 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.836 -0.017 19108 13262 1 15 . 1 1 125 125 PHE H H 125 9.359 9.359 8.116 1.243 19108 13263 1 15 . 1 1 126 126 ALA N N 126 124.526 124.526 127.668 -3.142 19108 13264 1 15 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.004 0.812 19108 13265 1 15 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.083 -2.213 19108 13266 1 15 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.041 1.293 19108 13267 1 15 . 1 1 126 126 ALA H H 126 9.091 9.091 8.406 0.685 19108 13268 1 15 . 1 1 127 127 ALA N N 127 126.272 126.272 129.263 -2.991 19108 13269 1 15 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.513 0.238 19108 13270 1 15 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.791 1.677 19108 13271 1 15 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.838 -0.233 19108 13272 1 15 . 1 1 127 127 ALA H H 127 9.049 9.049 9.260 -0.211 19108 13273 1 15 . 1 1 128 128 ARG N N 128 108.570 108.570 117.726 -9.156 19108 13274 1 15 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.776 -0.362 19108 13275 1 15 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.461 3.745 19108 13276 1 15 . 1 1 128 128 ARG H H 128 6.741 6.741 7.846 -1.105 19108 13277 1 15 . 1 1 129 129 ILE N N 129 121.285 121.285 122.419 -1.134 19108 13278 1 15 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.211 0.080 19108 13279 1 15 . 1 1 129 129 ILE CA C 129 60.867 60.867 61.115 -0.248 19108 13280 1 15 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.637 0.192 19108 13281 1 15 . 1 1 129 129 ILE H H 129 8.340 8.340 8.184 0.156 19108 13282 1 15 . 1 1 130 130 TYR N N 130 130.143 130.143 124.884 5.259 19108 13283 1 15 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.424 0.911 19108 13284 1 15 . 1 1 130 130 TYR CA C 130 56.926 56.926 56.716 0.210 19108 13285 1 15 . 1 1 130 130 TYR CB C 130 38.163 38.163 38.707 -0.544 19108 13286 1 15 . 1 1 130 130 TYR H H 130 8.870 8.870 8.379 0.491 19108 13287 1 15 . 1 1 131 131 ASP N N 131 123.662 123.662 119.251 4.411 19108 13288 1 15 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.765 -1.098 19108 13289 1 15 . 1 1 131 131 ASP CA C 131 54.713 54.713 55.324 -0.611 19108 13290 1 15 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.777 -2.876 19108 13291 1 15 . 1 1 131 131 ASP H H 131 8.123 8.123 7.890 0.233 19108 13292 1 15 . 1 1 132 132 TYR N N 132 116.852 116.852 120.391 -3.539 19108 13293 1 15 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.584 -0.669 19108 13294 1 15 . 1 1 132 132 TYR CA C 132 59.468 59.468 60.812 -1.344 19108 13295 1 15 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.512 -0.475 19108 13296 1 15 . 1 1 132 132 TYR H H 132 6.448 6.448 8.853 -2.405 19108 13297 1 15 . 1 1 133 133 ASP N N 133 116.930 116.930 118.115 -1.185 19108 13298 1 15 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.626 -1.460 19108 13299 1 15 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.834 0.948 19108 13300 1 15 . 1 1 133 133 ASP H H 133 7.005 7.005 8.168 -1.163 19108 13301 1 15 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.655 -0.552 19108 13302 1 15 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.472 0.229 19108 13303 1 15 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.424 0.666 19108 13304 1 15 . 1 1 135 135 LEU N N 135 120.252 120.252 121.550 -1.298 19108 13305 1 15 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.993 0.705 19108 13306 1 15 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.533 -2.152 19108 13307 1 15 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.774 -1.030 19108 13308 1 15 . 1 1 135 135 LEU H H 135 8.456 8.456 8.039 0.417 19108 13309 1 15 . 1 1 136 136 TYR N N 136 117.432 117.432 118.607 -1.175 19108 13310 1 15 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.022 0.039 19108 13311 1 15 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.345 0.713 19108 13312 1 15 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.098 0.482 19108 13313 1 15 . 1 1 136 136 TYR H H 136 8.028 8.028 7.911 0.117 19108 13314 1 15 . 1 1 137 137 LYS N N 137 122.000 122.000 119.628 2.372 19108 13315 1 15 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.059 1.240 19108 13316 1 15 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.798 -1.000 19108 13317 1 15 . 1 1 137 137 LYS H H 137 7.503 7.503 7.116 0.387 19108 13318 1 15 . 1 1 138 138 GLU N N 138 121.833 121.833 118.980 2.853 19108 13319 1 15 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.177 0.664 19108 13320 1 15 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.316 -1.847 19108 13321 1 15 . 1 1 138 138 GLU H H 138 8.752 8.752 8.160 0.592 19108 13322 1 15 . 1 1 139 139 ALA N N 139 119.592 119.592 121.773 -2.181 19108 13323 1 15 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.166 -0.320 19108 13324 1 15 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.930 0.210 19108 13325 1 15 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.402 1.853 19108 13326 1 15 . 1 1 139 139 ALA H H 139 7.682 7.682 8.028 -0.346 19108 13327 1 15 . 1 1 140 140 LEU N N 140 116.268 116.268 119.844 -3.576 19108 13328 1 15 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.826 0.367 19108 13329 1 15 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.764 -0.669 19108 13330 1 15 . 1 1 140 140 LEU H H 140 7.175 7.175 7.631 -0.456 19108 13331 1 15 . 1 1 141 141 GLN N N 141 117.550 117.550 117.332 0.218 19108 13332 1 15 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.916 -0.197 19108 13333 1 15 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.153 0.898 19108 13334 1 15 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.203 -0.610 19108 13335 1 15 . 1 1 141 141 GLN H H 141 8.322 8.322 7.630 0.692 19108 13336 1 15 . 1 1 142 142 MET N N 142 118.520 118.520 119.881 -1.361 19108 13337 1 15 . 1 1 142 142 MET HA H 142 4.135 4.135 3.966 0.169 19108 13338 1 15 . 1 1 142 142 MET CA C 142 59.051 59.051 58.625 0.426 19108 13339 1 15 . 1 1 142 142 MET CB C 142 33.170 33.170 32.395 0.775 19108 13340 1 15 . 1 1 142 142 MET H H 142 8.241 8.241 8.318 -0.077 19108 13341 1 15 . 1 1 143 143 LEU N N 143 118.659 118.659 119.437 -0.778 19108 13342 1 15 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.840 0.452 19108 13343 1 15 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.682 -0.567 19108 13344 1 15 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.797 -0.420 19108 13345 1 15 . 1 1 143 143 LEU H H 143 7.932 7.932 8.178 -0.246 19108 13346 1 15 . 1 1 144 144 ARG N N 144 121.294 121.294 117.715 3.579 19108 13347 1 15 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.868 0.558 19108 13348 1 15 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.183 -0.194 19108 13349 1 15 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.860 -1.752 19108 13350 1 15 . 1 1 144 144 ARG H H 144 7.968 7.968 7.894 0.074 19108 13351 1 15 . 1 1 145 145 ASP N N 145 122.553 122.553 117.120 5.433 19108 13352 1 15 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.528 -0.099 19108 13353 1 15 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.541 1.037 19108 13354 1 15 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.236 -1.646 19108 13355 1 15 . 1 1 145 145 ASP H H 145 8.868 8.868 7.849 1.019 19108 13356 1 15 . 1 1 146 146 ALA N N 146 120.102 120.102 120.857 -0.755 19108 13357 1 15 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.251 0.167 19108 13358 1 15 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.550 -0.516 19108 13359 1 15 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.809 -0.514 19108 13360 1 15 . 1 1 146 146 ALA H H 146 7.737 7.737 7.809 -0.072 19108 13361 1 15 . 1 1 147 147 GLY N N 147 105.039 105.039 107.243 -2.204 19108 13362 1 15 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.183 -0.319 19108 13363 1 15 . 1 1 147 147 GLY H H 147 7.966 7.966 7.768 0.198 19108 13364 1 15 . 1 1 148 148 ALA N N 148 124.181 124.181 122.970 1.211 19108 13365 1 15 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.519 0.170 19108 13366 1 15 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.961 0.498 19108 13367 1 15 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.911 -3.432 19108 13368 1 15 . 1 1 148 148 ALA H H 148 8.051 8.051 7.691 0.360 19108 13369 1 15 . 1 1 149 149 GLN N N 149 122.185 122.185 119.520 2.665 19108 13370 1 15 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.626 -0.187 19108 13371 1 15 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.703 0.252 19108 13372 1 15 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.701 -1.280 19108 13373 1 15 . 1 1 149 149 GLN H H 149 7.953 7.953 8.056 -0.103 19108 13374 1 15 . 1 1 150 150 VAL N N 150 127.399 127.399 125.858 1.541 19108 13375 1 15 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.555 0.197 19108 13376 1 15 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.279 0.161 19108 13377 1 15 . 1 1 150 150 VAL CB C 150 33.178 33.178 34.306 -1.128 19108 13378 1 15 . 1 1 150 150 VAL H H 150 8.658 8.658 8.551 0.107 19108 13379 1 15 . 1 1 151 151 SER N N 151 120.616 120.616 123.763 -3.147 19108 13380 1 15 . 1 1 151 151 SER HA H 151 5.179 5.179 4.800 0.379 19108 13381 1 15 . 1 1 151 151 SER CA C 151 56.981 56.981 57.514 -0.533 19108 13382 1 15 . 1 1 151 151 SER CB C 151 66.538 66.538 67.026 -0.488 19108 13383 1 15 . 1 1 151 151 SER H H 151 8.737 8.737 8.049 0.688 19108 13384 1 15 . 1 1 152 152 ILE N N 152 123.180 123.180 122.719 0.461 19108 13385 1 15 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.457 0.690 19108 13386 1 15 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.118 -3.600 19108 13387 1 15 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.396 -1.316 19108 13388 1 15 . 1 1 152 152 ILE H H 152 8.672 8.672 8.465 0.207 19108 13389 1 15 . 1 1 153 153 MET N N 153 123.477 123.477 128.553 -5.076 19108 13390 1 15 . 1 1 153 153 MET HA H 153 3.886 3.886 4.343 -0.457 19108 13391 1 15 . 1 1 153 153 MET CA C 153 59.053 59.053 56.791 2.262 19108 13392 1 15 . 1 1 153 153 MET CB C 153 34.793 34.793 33.211 1.582 19108 13393 1 15 . 1 1 153 153 MET H H 153 8.314 8.314 8.327 -0.013 19108 13394 1 15 . 1 1 154 154 THR N N 154 117.621 117.621 117.276 0.345 19108 13395 1 15 . 1 1 154 154 THR HA H 154 4.951 4.951 4.657 0.294 19108 13396 1 15 . 1 1 154 154 THR CA C 154 60.436 60.436 60.285 0.151 19108 13397 1 15 . 1 1 154 154 THR CB C 154 72.370 72.370 70.406 1.964 19108 13398 1 15 . 1 1 154 154 THR H H 154 9.630 9.630 7.986 1.644 19108 13399 1 15 . 1 1 155 155 TYR N N 155 121.751 121.751 122.461 -0.710 19108 13400 1 15 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.335 -0.236 19108 13401 1 15 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.338 3.101 19108 13402 1 15 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.288 0.998 19108 13403 1 15 . 1 1 155 155 TYR H H 155 9.769 9.769 8.690 1.079 19108 13404 1 15 . 1 1 156 156 ASP N N 156 115.555 115.555 116.993 -1.438 19108 13405 1 15 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.675 0.433 19108 13406 1 15 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.009 0.251 19108 13407 1 15 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.229 0.389 19108 13408 1 15 . 1 1 156 156 ASP H H 156 8.230 8.230 8.593 -0.363 19108 13409 1 15 . 1 1 157 157 GLU N N 157 117.678 117.678 119.477 -1.799 19108 13410 1 15 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.047 -0.177 19108 13411 1 15 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.122 1.385 19108 13412 1 15 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.116 1.932 19108 13413 1 15 . 1 1 157 157 GLU H H 157 7.470 7.470 7.508 -0.038 19108 13414 1 15 . 1 1 158 158 PHE N N 158 119.869 119.869 119.762 0.107 19108 13415 1 15 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.806 0.023 19108 13416 1 15 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.734 1.042 19108 13417 1 15 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.622 1.285 19108 13418 1 15 . 1 1 158 158 PHE H H 158 8.077 8.077 8.038 0.039 19108 13419 1 15 . 1 1 159 159 LYS N N 159 118.859 118.859 119.560 -0.701 19108 13420 1 15 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.752 0.165 19108 13421 1 15 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.845 -0.614 19108 13422 1 15 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.331 -0.368 19108 13423 1 15 . 1 1 159 159 LYS H H 159 8.273 8.273 7.607 0.666 19108 13424 1 15 . 1 1 160 160 HIS N N 160 115.889 115.889 119.312 -3.423 19108 13425 1 15 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.177 -0.018 19108 13426 1 15 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.106 0.875 19108 13427 1 15 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.169 -1.239 19108 13428 1 15 . 1 1 160 160 HIS H H 160 7.695 7.695 7.597 0.098 19108 13429 1 15 . 1 1 161 161 CYS N N 161 118.188 118.188 116.792 1.396 19108 13430 1 15 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.200 0.589 19108 13431 1 15 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.332 0.462 19108 13432 1 15 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.856 1.030 19108 13433 1 15 . 1 1 161 161 CYS H H 161 7.885 7.885 8.126 -0.241 19108 13434 1 15 . 1 1 162 162 TRP N N 162 122.741 122.741 123.095 -0.354 19108 13435 1 15 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.196 0.569 19108 13436 1 15 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.908 -0.191 19108 13437 1 15 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.635 -0.042 19108 13438 1 15 . 1 1 162 162 TRP H H 162 8.040 8.040 8.166 -0.126 19108 13439 1 15 . 1 1 163 163 ASP N N 163 113.796 113.796 119.351 -5.555 19108 13440 1 15 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.936 0.190 19108 13441 1 15 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.076 0.853 19108 13442 1 15 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.114 1.421 19108 13443 1 15 . 1 1 163 163 ASP H H 163 8.319 8.319 7.890 0.429 19108 13444 1 15 . 1 1 164 164 THR N N 164 112.008 112.008 115.539 -3.531 19108 13445 1 15 . 1 1 164 164 THR HA H 164 3.803 3.803 3.739 0.064 19108 13446 1 15 . 1 1 164 164 THR CA C 164 65.164 65.164 65.709 -0.545 19108 13447 1 15 . 1 1 164 164 THR CB C 164 70.171 70.171 68.310 1.861 19108 13448 1 15 . 1 1 164 164 THR H H 164 7.494 7.494 7.459 0.035 19108 13449 1 15 . 1 1 165 165 PHE N N 165 115.079 115.079 115.452 -0.373 19108 13450 1 15 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.623 -0.088 19108 13451 1 15 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.061 0.908 19108 13452 1 15 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.048 0.320 19108 13453 1 15 . 1 1 165 165 PHE H H 165 8.235 8.235 7.247 0.988 19108 13454 1 15 . 1 1 166 166 VAL N N 166 118.432 118.432 119.245 -0.813 19108 13455 1 15 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.257 -0.232 19108 13456 1 15 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.234 0.767 19108 13457 1 15 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.531 -4.176 19108 13458 1 15 . 1 1 166 166 VAL H H 166 6.838 6.838 8.198 -1.360 19108 13459 1 15 . 1 1 167 167 ASP N N 167 126.263 126.263 126.344 -0.081 19108 13460 1 15 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.302 -0.454 19108 13461 1 15 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.502 -2.872 19108 13462 1 15 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.792 -0.712 19108 13463 1 15 . 1 1 167 167 ASP H H 167 8.498 8.498 8.151 0.347 19108 13464 1 15 . 1 1 168 168 HIS N N 168 119.890 119.890 114.519 5.371 19108 13465 1 15 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.233 0.113 19108 13466 1 15 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.044 -1.470 19108 13467 1 15 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.306 3.156 19108 13468 1 15 . 1 1 168 168 HIS H H 168 6.977 6.977 7.559 -0.582 19108 13469 1 15 . 1 1 169 169 GLN N N 169 119.254 119.254 118.315 0.939 19108 13470 1 15 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.015 -0.292 19108 13471 1 15 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.492 0.278 19108 13472 1 15 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.017 -0.496 19108 13473 1 15 . 1 1 169 169 GLN H H 169 9.126 9.126 8.119 1.007 19108 13474 1 15 . 1 1 170 170 GLY N N 170 111.911 111.911 102.120 9.791 19108 13475 1 15 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.530 0.294 19108 13476 1 15 . 1 1 170 170 GLY H H 170 11.556 11.556 8.497 3.059 19108 13477 1 15 . 1 1 171 171 CYS N N 171 123.390 123.390 123.105 0.285 19108 13478 1 15 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.997 -0.281 19108 13479 1 15 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.399 1.386 19108 13480 1 15 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.117 -1.213 19108 13481 1 15 . 1 1 171 171 CYS H H 171 8.044 8.044 8.181 -0.137 19108 13482 1 15 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.698 -0.080 19108 13483 1 15 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.161 -0.303 19108 13484 1 15 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.472 0.057 19108 13485 1 15 . 1 1 173 173 PHE N N 173 121.101 121.101 119.960 1.141 19108 13486 1 15 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.758 -0.102 19108 13487 1 15 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.190 -0.648 19108 13488 1 15 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.380 -0.634 19108 13489 1 15 . 1 1 173 173 PHE H H 173 8.842 8.842 7.924 0.918 19108 13490 1 15 . 1 1 174 174 GLN N N 174 129.493 129.493 123.970 5.523 19108 13491 1 15 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.183 0.134 19108 13492 1 15 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.212 -1.417 19108 13493 1 15 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.150 0.947 19108 13494 1 15 . 1 1 174 174 GLN H H 174 7.250 7.250 6.930 0.320 19108 13495 1 15 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.773 -0.859 19108 13496 1 15 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.206 0.217 19108 13497 1 15 . 1 1 176 176 TRP N N 176 118.133 118.133 125.503 -7.370 19108 13498 1 15 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.680 -0.047 19108 13499 1 15 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.134 0.028 19108 13500 1 15 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.127 -0.238 19108 13501 1 15 . 1 1 176 176 TRP H H 176 5.591 5.591 6.887 -1.296 19108 13502 1 15 . 1 1 177 177 ASP N N 177 121.814 121.814 121.550 0.264 19108 13503 1 15 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.666 -0.269 19108 13504 1 15 . 1 1 177 177 ASP CA C 177 56.172 56.172 53.623 2.549 19108 13505 1 15 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.987 0.688 19108 13506 1 15 . 1 1 177 177 ASP H H 177 8.848 8.848 8.519 0.329 19108 13507 1 15 . 1 1 178 178 GLY N N 178 111.875 111.875 111.084 0.791 19108 13508 1 15 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.482 0.184 19108 13509 1 15 . 1 1 178 178 GLY H H 178 8.987 8.987 8.071 0.916 19108 13510 1 15 . 1 1 179 179 LEU N N 179 121.470 121.470 121.429 0.041 19108 13511 1 15 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.134 0.354 19108 13512 1 15 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.352 3.430 19108 13513 1 15 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.978 0.251 19108 13514 1 15 . 1 1 179 179 LEU H H 179 7.148 7.148 8.065 -0.917 19108 13515 1 15 . 1 1 180 180 ASP N N 180 119.476 119.476 117.875 1.601 19108 13516 1 15 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.276 0.216 19108 13517 1 15 . 1 1 180 180 ASP CA C 180 57.939 57.939 56.752 1.187 19108 13518 1 15 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.540 1.173 19108 13519 1 15 . 1 1 180 180 ASP H H 180 8.874 8.874 8.538 0.336 19108 13520 1 15 . 1 1 181 181 GLU N N 181 122.379 122.379 119.926 2.453 19108 13521 1 15 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.111 -0.099 19108 13522 1 15 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.449 0.520 19108 13523 1 15 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.657 -0.731 19108 13524 1 15 . 1 1 181 181 GLU H H 181 8.712 8.712 8.401 0.311 19108 13525 1 15 . 1 1 182 182 HIS N N 182 118.572 118.572 117.923 0.649 19108 13526 1 15 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.427 0.327 19108 13527 1 15 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.649 0.380 19108 13528 1 15 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.526 -0.678 19108 13529 1 15 . 1 1 182 182 HIS H H 182 8.854 8.854 7.824 1.030 19108 13530 1 15 . 1 1 183 183 SER N N 183 116.329 116.329 116.061 0.268 19108 13531 1 15 . 1 1 183 183 SER HA H 183 4.554 4.554 4.176 0.378 19108 13532 1 15 . 1 1 183 183 SER CA C 183 63.604 63.604 62.120 1.484 19108 13533 1 15 . 1 1 183 183 SER CB C 183 65.216 65.216 62.517 2.699 19108 13534 1 15 . 1 1 183 183 SER H H 183 8.665 8.665 7.918 0.747 19108 13535 1 15 . 1 1 184 184 GLN N N 184 122.215 122.215 122.042 0.173 19108 13536 1 15 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.022 0.225 19108 13537 1 15 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.661 0.299 19108 13538 1 15 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.518 0.417 19108 13539 1 15 . 1 1 184 184 GLN H H 184 8.714 8.714 7.519 1.195 19108 13540 1 15 . 1 1 185 185 ALA N N 185 124.432 124.432 122.889 1.543 19108 13541 1 15 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.011 0.273 19108 13542 1 15 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.169 0.300 19108 13543 1 15 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.030 0.344 19108 13544 1 15 . 1 1 185 185 ALA H H 185 8.258 8.258 7.570 0.688 19108 13545 1 15 . 1 1 186 186 LEU N N 186 119.941 119.941 117.946 1.995 19108 13546 1 15 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.924 0.288 19108 13547 1 15 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.664 0.552 19108 13548 1 15 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.561 1.203 19108 13549 1 15 . 1 1 186 186 LEU H H 186 8.953 8.953 7.787 1.166 19108 13550 1 15 . 1 1 187 187 SER N N 187 116.987 116.987 114.408 2.579 19108 13551 1 15 . 1 1 187 187 SER HA H 187 4.039 4.039 4.157 -0.118 19108 13552 1 15 . 1 1 187 187 SER CA C 187 63.302 63.302 61.781 1.521 19108 13553 1 15 . 1 1 187 187 SER CB C 187 62.760 62.760 62.714 0.046 19108 13554 1 15 . 1 1 187 187 SER H H 187 8.935 8.935 8.560 0.375 19108 13555 1 15 . 1 1 188 188 GLY N N 188 110.215 110.215 110.164 0.051 19108 13556 1 15 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.502 0.652 19108 13557 1 15 . 1 1 188 188 GLY H H 188 8.228 8.228 8.280 -0.052 19108 13558 1 15 . 1 1 189 189 ARG N N 189 122.994 122.994 122.351 0.643 19108 13559 1 15 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.940 0.297 19108 13560 1 15 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.131 0.428 19108 13561 1 15 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.191 0.204 19108 13562 1 15 . 1 1 189 189 ARG H H 189 7.838 7.838 7.570 0.268 19108 13563 1 15 . 1 1 190 190 LEU N N 190 119.765 119.765 119.858 -0.093 19108 13564 1 15 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.092 0.146 19108 13565 1 15 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.157 0.062 19108 13566 1 15 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.830 -0.588 19108 13567 1 15 . 1 1 190 190 LEU H H 190 8.791 8.791 7.852 0.939 19108 13568 1 15 . 1 1 191 191 ARG N N 191 118.427 118.427 118.681 -0.254 19108 13569 1 15 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.934 0.109 19108 13570 1 15 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.137 0.645 19108 13571 1 15 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.139 0.052 19108 13572 1 15 . 1 1 191 191 ARG H H 191 8.305 8.305 8.188 0.117 19108 13573 1 15 . 1 1 192 192 ALA N N 192 119.414 119.414 121.465 -2.051 19108 13574 1 15 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.245 -0.028 19108 13575 1 15 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.218 0.498 19108 13576 1 15 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.742 -0.577 19108 13577 1 15 . 1 1 192 192 ALA H H 192 7.414 7.414 7.448 -0.034 19108 13578 1 15 . 1 1 193 193 ILE N N 193 118.949 118.949 118.301 0.648 19108 13579 1 15 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.866 -0.096 19108 13580 1 15 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.644 1.194 19108 13581 1 15 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.490 0.956 19108 13582 1 15 . 1 1 193 193 ILE H H 193 7.896 7.896 7.802 0.094 19108 13583 1 15 . 1 1 194 194 LEU N N 194 116.435 116.435 118.366 -1.931 19108 13584 1 15 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.346 -0.073 19108 13585 1 15 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.066 -0.352 19108 13586 1 15 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.948 -2.477 19108 13587 1 15 . 1 1 194 194 LEU H H 194 8.296 8.296 8.257 0.039 19108 13588 1 15 . 1 1 195 195 GLN N N 195 118.580 118.580 117.326 1.254 19108 13589 1 15 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.459 -0.124 19108 13590 1 15 . 1 1 195 195 GLN CA C 195 56.417 56.417 54.819 1.597 19108 13591 1 15 . 1 1 195 195 GLN CB C 195 28.598 28.598 31.812 -3.214 19108 13592 1 15 . 1 1 195 195 GLN H H 195 7.921 7.921 7.594 0.327 19108 13593 1 15 . 1 1 196 196 ASN N N 196 118.941 118.941 115.747 3.194 19108 13594 1 15 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.781 -0.079 19108 13595 1 15 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.936 0.514 19108 13596 1 15 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.788 0.038 19108 13597 1 15 . 1 1 196 196 ASN H H 196 8.078 8.078 8.308 -0.230 19108 13598 1 15 . 1 1 197 197 GLN N N 197 120.984 120.984 119.717 1.267 19108 13599 1 15 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.070 0.286 19108 13600 1 15 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.729 -0.563 19108 13601 1 15 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.729 0.767 19108 13602 1 15 . 1 1 197 197 GLN H H 197 8.526 8.526 8.577 -0.051 19108 13603 1 15 . 1 1 198 198 GLY N N 198 109.565 109.565 108.169 1.396 19108 13604 1 15 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.000 0.384 19108 13605 1 15 . 1 1 198 198 GLY H H 198 8.467 8.467 8.661 -0.194 19108 13606 1 16 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.374 0.000 19108 13607 1 16 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.263 0.085 19108 13608 1 16 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.863 0.590 19108 13609 1 16 . 1 1 3 3 ALA N N 3 125.932 125.932 122.822 3.110 19108 13610 1 16 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.530 -0.180 19108 13611 1 16 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.898 0.510 19108 13612 1 16 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.469 1.111 19108 13613 1 16 . 1 1 3 3 ALA H H 3 8.526 8.526 7.945 0.581 19108 13614 1 16 . 1 1 4 4 SER N N 4 116.729 116.729 118.222 -1.493 19108 13615 1 16 . 1 1 4 4 SER HA H 4 4.766 4.766 4.547 0.219 19108 13616 1 16 . 1 1 4 4 SER CA C 4 56.283 56.283 58.160 -1.877 19108 13617 1 16 . 1 1 4 4 SER CB C 4 63.278 63.278 62.885 0.393 19108 13618 1 16 . 1 1 4 4 SER H H 4 8.397 8.397 8.682 -0.285 19108 13619 1 16 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.470 -0.024 19108 13620 1 16 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.445 -0.139 19108 13621 1 16 . 1 1 5 5 PRO CB C 5 32.097 32.097 33.013 -0.916 19108 13622 1 16 . 1 1 6 6 ALA N N 6 124.236 124.236 123.215 1.021 19108 13623 1 16 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.299 0.034 19108 13624 1 16 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.244 0.319 19108 13625 1 16 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.754 -0.420 19108 13626 1 16 . 1 1 6 6 ALA H H 6 8.411 8.411 8.200 0.211 19108 13627 1 16 . 1 1 7 7 SER N N 7 114.497 114.497 113.449 1.048 19108 13628 1 16 . 1 1 7 7 SER HA H 7 4.475 4.475 4.212 0.263 19108 13629 1 16 . 1 1 7 7 SER CA C 7 58.258 58.258 57.693 0.565 19108 13630 1 16 . 1 1 7 7 SER CB C 7 64.174 64.174 63.903 0.271 19108 13631 1 16 . 1 1 7 7 SER H H 7 8.195 8.195 7.961 0.234 19108 13632 1 16 . 1 1 8 8 GLY N N 8 110.497 110.497 111.660 -1.163 19108 13633 1 16 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.196 -0.350 19108 13634 1 16 . 1 1 8 8 GLY H H 8 8.226 8.226 8.490 -0.264 19108 13635 1 16 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.290 0.159 19108 13636 1 16 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.462 -0.028 19108 13637 1 16 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.907 0.286 19108 13638 1 16 . 1 1 10 10 ARG N N 10 120.534 120.534 121.616 -1.082 19108 13639 1 16 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.353 -0.012 19108 13640 1 16 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.393 0.623 19108 13641 1 16 . 1 1 10 10 ARG CB C 10 30.809 30.809 33.341 -2.532 19108 13642 1 16 . 1 1 10 10 ARG H H 10 8.469 8.469 8.377 0.092 19108 13643 1 16 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.774 0.051 19108 13644 1 16 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.996 0.465 19108 13645 1 16 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.172 0.019 19108 13646 1 16 . 1 1 12 12 LEU N N 12 122.284 122.284 121.940 0.344 19108 13647 1 16 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.664 -0.055 19108 13648 1 16 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.267 1.762 19108 13649 1 16 . 1 1 12 12 LEU H H 12 8.250 8.250 7.945 0.305 19108 13650 1 16 . 1 1 13 13 MET N N 13 121.493 121.493 119.918 1.575 19108 13651 1 16 . 1 1 13 13 MET HA H 13 4.038 4.038 4.308 -0.270 19108 13652 1 16 . 1 1 13 13 MET CA C 13 54.449 54.449 56.128 -1.679 19108 13653 1 16 . 1 1 13 13 MET CB C 13 35.015 35.015 33.254 1.761 19108 13654 1 16 . 1 1 13 13 MET H H 13 8.955 8.955 8.065 0.890 19108 13655 1 16 . 1 1 14 14 ASP N N 14 127.113 127.113 124.102 3.011 19108 13656 1 16 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.903 -0.803 19108 13657 1 16 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.864 -2.408 19108 13658 1 16 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.536 0.974 19108 13659 1 16 . 1 1 14 14 ASP H H 14 8.514 8.514 8.614 -0.100 19108 13660 1 16 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.263 -0.410 19108 13661 1 16 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.447 0.207 19108 13662 1 16 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.087 -0.436 19108 13663 1 16 . 1 1 16 16 HIS N N 16 115.776 115.776 116.511 -0.735 19108 13664 1 16 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.503 -0.225 19108 13665 1 16 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.806 -0.888 19108 13666 1 16 . 1 1 16 16 HIS CB C 16 29.208 29.208 30.037 -0.829 19108 13667 1 16 . 1 1 16 16 HIS H H 16 8.591 8.591 8.495 0.096 19108 13668 1 16 . 1 1 17 17 ILE N N 17 122.675 122.675 119.434 3.241 19108 13669 1 16 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.768 -0.284 19108 13670 1 16 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.703 -1.477 19108 13671 1 16 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.148 -1.051 19108 13672 1 16 . 1 1 17 17 ILE H H 17 7.558 7.558 8.279 -0.721 19108 13673 1 16 . 1 1 18 18 PHE N N 18 120.513 120.513 120.049 0.464 19108 13674 1 16 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.217 -0.214 19108 13675 1 16 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.663 1.141 19108 13676 1 16 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.423 0.217 19108 13677 1 16 . 1 1 18 18 PHE H H 18 7.831 7.831 8.531 -0.700 19108 13678 1 16 . 1 1 19 19 THR N N 19 114.555 114.555 115.695 -1.140 19108 13679 1 16 . 1 1 19 19 THR HA H 19 3.657 3.657 4.152 -0.495 19108 13680 1 16 . 1 1 19 19 THR CA C 19 66.485 66.485 66.604 -0.119 19108 13681 1 16 . 1 1 19 19 THR CB C 19 68.345 68.345 68.692 -0.347 19108 13682 1 16 . 1 1 19 19 THR H H 19 9.036 9.036 8.164 0.872 19108 13683 1 16 . 1 1 20 20 SER N N 20 113.030 113.030 117.085 -4.055 19108 13684 1 16 . 1 1 20 20 SER HA H 20 4.062 4.062 4.007 0.055 19108 13685 1 16 . 1 1 20 20 SER CA C 20 60.610 60.610 61.028 -0.418 19108 13686 1 16 . 1 1 20 20 SER CB C 20 63.843 63.843 63.076 0.767 19108 13687 1 16 . 1 1 20 20 SER H H 20 7.809 7.809 8.504 -0.695 19108 13688 1 16 . 1 1 21 21 ASN N N 21 115.629 115.629 116.738 -1.109 19108 13689 1 16 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.316 0.095 19108 13690 1 16 . 1 1 21 21 ASN CA C 21 56.989 56.989 53.876 3.113 19108 13691 1 16 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.187 3.393 19108 13692 1 16 . 1 1 21 21 ASN H H 21 7.362 7.362 7.307 0.055 19108 13693 1 16 . 1 1 22 22 PHE N N 22 117.773 117.773 116.069 1.704 19108 13694 1 16 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.631 -0.358 19108 13695 1 16 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.889 -0.429 19108 13696 1 16 . 1 1 22 22 PHE CB C 22 37.830 37.830 40.537 -2.707 19108 13697 1 16 . 1 1 22 22 PHE H H 22 8.296 8.296 7.922 0.374 19108 13698 1 16 . 1 1 23 23 ASN N N 23 115.026 115.026 119.173 -4.147 19108 13699 1 16 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.436 0.093 19108 13700 1 16 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.941 0.700 19108 13701 1 16 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.816 -2.193 19108 13702 1 16 . 1 1 23 23 ASN H H 23 6.097 6.097 8.014 -1.917 19108 13703 1 16 . 1 1 24 24 ASN N N 24 122.900 122.900 122.810 0.090 19108 13704 1 16 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.284 0.149 19108 13705 1 16 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.888 -0.615 19108 13706 1 16 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.317 -0.425 19108 13707 1 16 . 1 1 24 24 ASN H H 24 7.083 7.083 7.813 -0.730 19108 13708 1 16 . 1 1 25 25 GLY N N 25 105.587 105.587 109.492 -3.905 19108 13709 1 16 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.367 -0.502 19108 13710 1 16 . 1 1 25 25 GLY H H 25 8.520 8.520 8.389 0.131 19108 13711 1 16 . 1 1 26 26 ILE N N 26 120.182 120.182 119.189 0.993 19108 13712 1 16 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.461 -0.287 19108 13713 1 16 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.011 1.432 19108 13714 1 16 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.967 0.548 19108 13715 1 16 . 1 1 26 26 ILE H H 26 6.944 6.944 7.672 -0.728 19108 13716 1 16 . 1 1 27 27 GLY N N 27 111.665 111.665 107.256 4.409 19108 13717 1 16 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.155 0.164 19108 13718 1 16 . 1 1 27 27 GLY H H 27 8.457 8.457 8.504 -0.047 19108 13719 1 16 . 1 1 28 28 ARG N N 28 117.565 117.565 119.754 -2.189 19108 13720 1 16 . 1 1 28 28 ARG CA C 28 53.565 53.565 56.128 -2.563 19108 13721 1 16 . 1 1 28 28 ARG H H 28 6.741 6.741 7.874 -1.133 19108 13722 1 16 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.996 2.007 19108 13723 1 16 . 1 1 29 29 HIS CB C 29 29.044 29.044 30.987 -1.943 19108 13724 1 16 . 1 1 29 29 HIS H H 29 8.636 8.636 8.378 0.258 19108 13725 1 16 . 1 1 30 30 LYS N N 30 119.344 119.344 119.956 -0.612 19108 13726 1 16 . 1 1 30 30 LYS HA H 30 4.421 4.421 3.870 0.551 19108 13727 1 16 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.691 1.173 19108 13728 1 16 . 1 1 30 30 LYS CB C 30 35.191 35.191 34.141 1.050 19108 13729 1 16 . 1 1 30 30 LYS H H 30 7.870 7.870 7.425 0.445 19108 13730 1 16 . 1 1 31 31 THR N N 31 118.233 118.233 117.356 0.877 19108 13731 1 16 . 1 1 31 31 THR HA H 31 4.125 4.125 3.781 0.344 19108 13732 1 16 . 1 1 31 31 THR CA C 31 63.175 63.175 62.530 0.645 19108 13733 1 16 . 1 1 31 31 THR H H 31 8.436 8.436 7.775 0.661 19108 13734 1 16 . 1 1 32 32 TYR N N 32 124.026 124.026 126.588 -2.562 19108 13735 1 16 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.894 0.042 19108 13736 1 16 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.887 -0.386 19108 13737 1 16 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.860 2.544 19108 13738 1 16 . 1 1 32 32 TYR H H 32 8.244 8.244 8.277 -0.033 19108 13739 1 16 . 1 1 33 33 LEU N N 33 125.428 125.428 124.484 0.944 19108 13740 1 16 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.329 -0.250 19108 13741 1 16 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.502 1.335 19108 13742 1 16 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.991 0.993 19108 13743 1 16 . 1 1 33 33 LEU H H 33 9.232 9.232 9.154 0.078 19108 13744 1 16 . 1 1 34 34 CYS N N 34 125.975 125.975 125.395 0.580 19108 13745 1 16 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.858 0.148 19108 13746 1 16 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.310 0.835 19108 13747 1 16 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.085 1.216 19108 13748 1 16 . 1 1 34 34 CYS H H 34 9.640 9.640 8.826 0.814 19108 13749 1 16 . 1 1 35 35 TYR N N 35 121.183 121.183 123.239 -2.056 19108 13750 1 16 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.651 0.837 19108 13751 1 16 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.963 -0.181 19108 13752 1 16 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.180 2.910 19108 13753 1 16 . 1 1 35 35 TYR H H 35 9.094 9.094 8.510 0.584 19108 13754 1 16 . 1 1 36 36 GLU N N 36 115.538 115.538 122.124 -6.586 19108 13755 1 16 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.836 0.599 19108 13756 1 16 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.901 0.490 19108 13757 1 16 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.837 -0.293 19108 13758 1 16 . 1 1 36 36 GLU H H 36 8.977 8.977 8.592 0.385 19108 13759 1 16 . 1 1 37 37 VAL N N 37 121.600 121.600 122.069 -0.469 19108 13760 1 16 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.828 0.331 19108 13761 1 16 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.642 0.406 19108 13762 1 16 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.664 0.406 19108 13763 1 16 . 1 1 37 37 VAL H H 37 9.271 9.271 8.920 0.351 19108 13764 1 16 . 1 1 38 38 GLU N N 38 125.227 125.227 125.100 0.127 19108 13765 1 16 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.214 0.004 19108 13766 1 16 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.149 0.103 19108 13767 1 16 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.333 0.594 19108 13768 1 16 . 1 1 38 38 GLU H H 38 9.114 9.114 8.576 0.538 19108 13769 1 16 . 1 1 39 39 ARG N N 39 124.872 124.872 121.408 3.464 19108 13770 1 16 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.355 1.010 19108 13771 1 16 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.938 0.309 19108 13772 1 16 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.729 -0.164 19108 13773 1 16 . 1 1 39 39 ARG H H 39 9.215 9.215 8.360 0.855 19108 13774 1 16 . 1 1 40 40 LEU N N 40 126.510 126.510 125.884 0.626 19108 13775 1 16 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.507 0.246 19108 13776 1 16 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.506 -0.183 19108 13777 1 16 . 1 1 40 40 LEU CB C 40 40.843 40.843 44.122 -3.279 19108 13778 1 16 . 1 1 40 40 LEU H H 40 8.659 8.659 7.870 0.789 19108 13779 1 16 . 1 1 41 41 ASP N N 41 124.410 124.410 125.694 -1.284 19108 13780 1 16 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.756 0.037 19108 13781 1 16 . 1 1 41 41 ASP CA C 41 53.218 53.218 54.184 -0.967 19108 13782 1 16 . 1 1 41 41 ASP CB C 41 41.733 41.733 43.084 -1.351 19108 13783 1 16 . 1 1 41 41 ASP H H 41 8.575 8.575 8.119 0.456 19108 13784 1 16 . 1 1 42 42 ASN N N 42 123.319 123.319 123.030 0.289 19108 13785 1 16 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.417 0.003 19108 13786 1 16 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.531 0.642 19108 13787 1 16 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.231 -0.384 19108 13788 1 16 . 1 1 42 42 ASN H H 42 9.048 9.048 8.877 0.171 19108 13789 1 16 . 1 1 43 43 GLY N N 43 106.044 106.044 103.304 2.740 19108 13790 1 16 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.595 -0.201 19108 13791 1 16 . 1 1 43 43 GLY H H 43 8.548 8.548 8.378 0.170 19108 13792 1 16 . 1 1 44 44 THR N N 44 115.893 115.893 120.414 -4.521 19108 13793 1 16 . 1 1 44 44 THR HA H 44 4.524 4.524 4.230 0.294 19108 13794 1 16 . 1 1 44 44 THR CA C 44 61.285 61.285 63.511 -2.226 19108 13795 1 16 . 1 1 44 44 THR CB C 44 70.572 70.572 68.984 1.588 19108 13796 1 16 . 1 1 44 44 THR H H 44 7.833 7.833 7.587 0.246 19108 13797 1 16 . 1 1 45 45 SER N N 45 119.589 119.589 123.168 -3.579 19108 13798 1 16 . 1 1 45 45 SER HA H 45 4.804 4.804 5.083 -0.279 19108 13799 1 16 . 1 1 45 45 SER CA C 45 58.080 58.080 56.949 1.131 19108 13800 1 16 . 1 1 45 45 SER CB C 45 64.265 64.265 64.022 0.243 19108 13801 1 16 . 1 1 45 45 SER H H 45 8.590 8.590 8.605 -0.015 19108 13802 1 16 . 1 1 46 46 VAL N N 46 125.827 125.827 127.854 -2.027 19108 13803 1 16 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.151 0.142 19108 13804 1 16 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.474 0.368 19108 13805 1 16 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.391 1.126 19108 13806 1 16 . 1 1 46 46 VAL H H 46 9.034 9.034 8.753 0.281 19108 13807 1 16 . 1 1 47 47 LYS N N 47 126.528 126.528 128.884 -2.356 19108 13808 1 16 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.301 -0.016 19108 13809 1 16 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.557 1.107 19108 13810 1 16 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.271 -0.479 19108 13811 1 16 . 1 1 47 47 LYS H H 47 8.738 8.738 8.394 0.344 19108 13812 1 16 . 1 1 48 48 MET N N 48 122.645 122.645 124.293 -1.648 19108 13813 1 16 . 1 1 48 48 MET HA H 48 5.195 5.195 4.609 0.586 19108 13814 1 16 . 1 1 48 48 MET CA C 48 54.747 54.747 55.625 -0.878 19108 13815 1 16 . 1 1 48 48 MET CB C 48 32.379 32.379 33.881 -1.502 19108 13816 1 16 . 1 1 48 48 MET H H 48 8.334 8.334 8.178 0.156 19108 13817 1 16 . 1 1 49 49 ASP N N 49 123.713 123.713 121.308 2.405 19108 13818 1 16 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.581 -0.157 19108 13819 1 16 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.098 0.512 19108 13820 1 16 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.435 -0.401 19108 13821 1 16 . 1 1 49 49 ASP H H 49 8.575 8.575 8.690 -0.115 19108 13822 1 16 . 1 1 50 50 GLN N N 50 117.540 117.540 118.838 -1.298 19108 13823 1 16 . 1 1 50 50 GLN H H 50 9.110 9.110 8.478 0.632 19108 13824 1 16 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.719 0.432 19108 13825 1 16 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.520 -1.686 19108 13826 1 16 . 1 1 51 51 HIS H H 51 8.031 8.031 8.293 -0.262 19108 13827 1 16 . 1 1 52 52 ARG N N 52 117.888 117.888 120.920 -3.032 19108 13828 1 16 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.443 0.794 19108 13829 1 16 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.092 -0.037 19108 13830 1 16 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.478 0.576 19108 13831 1 16 . 1 1 52 52 ARG H H 52 7.685 7.685 7.498 0.187 19108 13832 1 16 . 1 1 53 53 GLY N N 53 108.573 108.573 105.469 3.104 19108 13833 1 16 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.191 0.517 19108 13834 1 16 . 1 1 53 53 GLY H H 53 7.529 7.529 7.233 0.296 19108 13835 1 16 . 1 1 54 54 PHE N N 54 113.146 113.146 116.616 -3.470 19108 13836 1 16 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.647 0.348 19108 13837 1 16 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.380 -0.524 19108 13838 1 16 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.987 2.376 19108 13839 1 16 . 1 1 54 54 PHE H H 54 8.287 8.287 7.886 0.401 19108 13840 1 16 . 1 1 55 55 LEU N N 55 119.389 119.389 120.320 -0.931 19108 13841 1 16 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.808 -0.113 19108 13842 1 16 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.330 0.383 19108 13843 1 16 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.225 0.403 19108 13844 1 16 . 1 1 55 55 LEU H H 55 9.452 9.452 8.939 0.513 19108 13845 1 16 . 1 1 56 56 HIS N N 56 114.176 114.176 114.267 -0.091 19108 13846 1 16 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.151 0.288 19108 13847 1 16 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.056 0.409 19108 13848 1 16 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.908 -1.441 19108 13849 1 16 . 1 1 56 56 HIS H H 56 7.709 7.709 7.359 0.350 19108 13850 1 16 . 1 1 57 57 ASN N N 57 116.522 116.522 118.260 -1.738 19108 13851 1 16 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.645 -0.230 19108 13852 1 16 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.601 1.583 19108 13853 1 16 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.377 -0.715 19108 13854 1 16 . 1 1 57 57 ASN H H 57 8.684 8.684 8.064 0.620 19108 13855 1 16 . 1 1 58 58 GLN N N 58 122.850 122.850 118.022 4.828 19108 13856 1 16 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.544 -0.155 19108 13857 1 16 . 1 1 58 58 GLN CA C 58 54.853 54.853 54.964 -0.111 19108 13858 1 16 . 1 1 58 58 GLN CB C 58 30.382 30.382 31.722 -1.340 19108 13859 1 16 . 1 1 58 58 GLN H H 58 9.099 9.099 7.767 1.332 19108 13860 1 16 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.306 -0.006 19108 13861 1 16 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.394 0.110 19108 13862 1 16 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.507 -0.086 19108 13863 1 16 . 1 1 60 60 LYS N N 60 119.998 119.998 122.184 -2.186 19108 13864 1 16 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.277 -0.501 19108 13865 1 16 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.103 0.198 19108 13866 1 16 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.344 0.472 19108 13867 1 16 . 1 1 60 60 LYS H H 60 8.344 8.344 8.248 0.096 19108 13868 1 16 . 1 1 61 61 ASN N N 61 119.688 119.688 123.007 -3.319 19108 13869 1 16 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.801 -0.346 19108 13870 1 16 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.191 -0.287 19108 13871 1 16 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.382 -0.845 19108 13872 1 16 . 1 1 61 61 ASN H H 61 8.643 8.643 8.515 0.128 19108 13873 1 16 . 1 1 62 62 LEU N N 62 124.761 124.761 122.014 2.747 19108 13874 1 16 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.629 -0.695 19108 13875 1 16 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.108 2.136 19108 13876 1 16 . 1 1 62 62 LEU CB C 62 40.943 40.943 42.155 -1.212 19108 13877 1 16 . 1 1 62 62 LEU H H 62 8.873 8.873 8.590 0.283 19108 13878 1 16 . 1 1 63 63 LEU N N 63 120.312 120.312 120.531 -0.219 19108 13879 1 16 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.025 0.174 19108 13880 1 16 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.299 -0.222 19108 13881 1 16 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.485 -0.228 19108 13882 1 16 . 1 1 63 63 LEU H H 63 8.145 8.145 8.307 -0.162 19108 13883 1 16 . 1 1 64 64 CYS N N 64 113.898 113.898 116.065 -2.167 19108 13884 1 16 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.413 -0.242 19108 13885 1 16 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.051 -1.267 19108 13886 1 16 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.122 -0.404 19108 13887 1 16 . 1 1 64 64 CYS H H 64 7.376 7.376 8.061 -0.685 19108 13888 1 16 . 1 1 65 65 GLY N N 65 108.894 108.894 109.472 -0.578 19108 13889 1 16 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.860 1.123 19108 13890 1 16 . 1 1 65 65 GLY H H 65 7.789 7.789 7.706 0.083 19108 13891 1 16 . 1 1 66 66 PHE N N 66 118.711 118.711 118.390 0.321 19108 13892 1 16 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.069 -0.152 19108 13893 1 16 . 1 1 66 66 PHE CA C 66 55.940 55.940 59.401 -3.461 19108 13894 1 16 . 1 1 66 66 PHE CB C 66 40.268 40.268 37.728 2.540 19108 13895 1 16 . 1 1 66 66 PHE H H 66 7.699 7.699 7.854 -0.155 19108 13896 1 16 . 1 1 67 67 TYR N N 67 124.623 124.623 122.349 2.274 19108 13897 1 16 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.755 -0.455 19108 13898 1 16 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.265 1.499 19108 13899 1 16 . 1 1 67 67 TYR CB C 67 38.153 38.153 41.273 -3.120 19108 13900 1 16 . 1 1 67 67 TYR H H 67 8.568 8.568 7.675 0.893 19108 13901 1 16 . 1 1 69 69 ARG N N 69 121.427 121.427 124.035 -2.608 19108 13902 1 16 . 1 1 69 69 ARG CA C 69 57.057 57.057 55.130 1.927 19108 13903 1 16 . 1 1 69 69 ARG CB C 69 32.296 32.296 30.051 2.245 19108 13904 1 16 . 1 1 69 69 ARG H H 69 8.313 8.313 8.118 0.195 19108 13905 1 16 . 1 1 70 70 HIS N N 70 128.351 128.351 124.194 4.157 19108 13906 1 16 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.367 0.415 19108 13907 1 16 . 1 1 70 70 HIS CA C 70 56.716 56.716 57.658 -0.943 19108 13908 1 16 . 1 1 70 70 HIS CB C 70 31.776 31.776 32.198 -0.422 19108 13909 1 16 . 1 1 70 70 HIS H H 70 9.182 9.182 8.425 0.757 19108 13910 1 16 . 1 1 71 71 ALA N N 71 125.649 125.649 128.163 -2.514 19108 13911 1 16 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.994 -0.637 19108 13912 1 16 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.381 0.401 19108 13913 1 16 . 1 1 71 71 ALA CB C 71 18.010 18.010 19.112 -1.102 19108 13914 1 16 . 1 1 71 71 ALA H H 71 8.968 8.968 8.775 0.193 19108 13915 1 16 . 1 1 72 72 GLU N N 72 119.941 119.941 118.565 1.376 19108 13916 1 16 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.676 -0.699 19108 13917 1 16 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.245 1.711 19108 13918 1 16 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.029 -1.023 19108 13919 1 16 . 1 1 72 72 GLU H H 72 12.692 12.692 8.742 3.950 19108 13920 1 16 . 1 1 73 73 LEU N N 73 114.882 114.882 119.537 -4.655 19108 13921 1 16 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.038 -0.453 19108 13922 1 16 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.338 -1.677 19108 13923 1 16 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.574 -2.329 19108 13924 1 16 . 1 1 73 73 LEU H H 73 6.637 6.637 7.789 -1.152 19108 13925 1 16 . 1 1 74 74 ARG N N 74 117.799 117.799 118.645 -0.846 19108 13926 1 16 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.812 0.230 19108 13927 1 16 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.992 -0.817 19108 13928 1 16 . 1 1 74 74 ARG H H 74 7.556 7.556 7.564 -0.008 19108 13929 1 16 . 1 1 75 75 PHE N N 75 119.783 119.783 119.891 -0.108 19108 13930 1 16 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.272 -0.711 19108 13931 1 16 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.205 2.469 19108 13932 1 16 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.306 -1.268 19108 13933 1 16 . 1 1 75 75 PHE H H 75 8.233 8.233 8.114 0.119 19108 13934 1 16 . 1 1 76 76 LEU N N 76 119.526 119.526 121.721 -2.195 19108 13935 1 16 . 1 1 76 76 LEU HA H 76 3.558 3.558 2.984 0.574 19108 13936 1 16 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.435 0.604 19108 13937 1 16 . 1 1 76 76 LEU CB C 76 39.016 39.016 40.252 -1.236 19108 13938 1 16 . 1 1 76 76 LEU H H 76 7.629 7.629 8.336 -0.707 19108 13939 1 16 . 1 1 77 77 ASP N N 77 118.215 118.215 118.631 -0.416 19108 13940 1 16 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.133 0.025 19108 13941 1 16 . 1 1 77 77 ASP CA C 77 56.400 56.400 57.255 -0.855 19108 13942 1 16 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.365 0.003 19108 13943 1 16 . 1 1 77 77 ASP H H 77 8.190 8.190 7.588 0.602 19108 13944 1 16 . 1 1 78 78 LEU N N 78 117.496 117.496 119.753 -2.257 19108 13945 1 16 . 1 1 78 78 LEU HA H 78 4.290 4.290 3.863 0.427 19108 13946 1 16 . 1 1 78 78 LEU CA C 78 54.985 54.985 57.102 -2.117 19108 13947 1 16 . 1 1 78 78 LEU CB C 78 42.401 42.401 40.863 1.538 19108 13948 1 16 . 1 1 78 78 LEU H H 78 7.252 7.252 7.782 -0.530 19108 13949 1 16 . 1 1 79 79 VAL N N 79 120.915 120.915 119.674 1.241 19108 13950 1 16 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.683 -0.460 19108 13951 1 16 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.501 0.026 19108 13952 1 16 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.483 0.637 19108 13953 1 16 . 1 1 79 79 VAL H H 79 7.179 7.179 8.030 -0.851 19108 13954 1 16 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.168 -0.193 19108 13955 1 16 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.999 0.788 19108 13956 1 16 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.308 -1.500 19108 13957 1 16 . 1 1 81 81 SER N N 81 112.727 112.727 111.687 1.040 19108 13958 1 16 . 1 1 81 81 SER HA H 81 4.314 4.314 4.256 0.058 19108 13959 1 16 . 1 1 81 81 SER CA C 81 60.618 60.618 61.243 -0.625 19108 13960 1 16 . 1 1 81 81 SER CB C 81 63.450 63.450 63.753 -0.303 19108 13961 1 16 . 1 1 81 81 SER H H 81 7.828 7.828 7.724 0.104 19108 13962 1 16 . 1 1 82 82 LEU N N 82 120.918 120.918 120.560 0.358 19108 13963 1 16 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.183 -0.309 19108 13964 1 16 . 1 1 82 82 LEU CA C 82 55.492 55.492 56.931 -1.439 19108 13965 1 16 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.600 -2.389 19108 13966 1 16 . 1 1 82 82 LEU H H 82 7.912 7.912 7.497 0.415 19108 13967 1 16 . 1 1 83 83 GLN N N 83 111.397 111.397 117.097 -5.700 19108 13968 1 16 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.039 -0.231 19108 13969 1 16 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.836 0.330 19108 13970 1 16 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.565 -0.897 19108 13971 1 16 . 1 1 83 83 GLN H H 83 7.458 7.458 7.969 -0.511 19108 13972 1 16 . 1 1 84 84 LEU N N 84 118.520 118.520 120.473 -1.953 19108 13973 1 16 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.054 -0.335 19108 13974 1 16 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.193 -1.451 19108 13975 1 16 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.385 -3.139 19108 13976 1 16 . 1 1 84 84 LEU H H 84 8.736 8.736 7.998 0.738 19108 13977 1 16 . 1 1 85 85 ASP N N 85 126.187 126.187 122.874 3.313 19108 13978 1 16 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.845 0.038 19108 13979 1 16 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.000 -0.654 19108 13980 1 16 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.990 0.958 19108 13981 1 16 . 1 1 85 85 ASP H H 85 8.415 8.415 8.350 0.065 19108 13982 1 16 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.872 0.056 19108 13983 1 16 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.516 0.122 19108 13984 1 16 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.130 -0.844 19108 13985 1 16 . 1 1 87 87 ALA N N 87 121.030 121.030 122.599 -1.569 19108 13986 1 16 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.078 0.340 19108 13987 1 16 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.999 -1.827 19108 13988 1 16 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.652 0.696 19108 13989 1 16 . 1 1 87 87 ALA H H 87 8.504 8.504 7.775 0.729 19108 13990 1 16 . 1 1 88 88 GLN N N 88 119.601 119.601 116.942 2.659 19108 13991 1 16 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.446 0.076 19108 13992 1 16 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.906 -1.472 19108 13993 1 16 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.698 -0.649 19108 13994 1 16 . 1 1 88 88 GLN H H 88 8.125 8.125 8.013 0.112 19108 13995 1 16 . 1 1 89 89 ILE N N 89 118.195 118.195 118.734 -0.539 19108 13996 1 16 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.682 0.287 19108 13997 1 16 . 1 1 89 89 ILE CA C 89 59.541 59.541 61.052 -1.511 19108 13998 1 16 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.907 0.345 19108 13999 1 16 . 1 1 89 89 ILE H H 89 8.099 8.099 8.476 -0.377 19108 14000 1 16 . 1 1 90 90 TYR N N 90 122.421 122.421 121.219 1.202 19108 14001 1 16 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.274 0.087 19108 14002 1 16 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.257 -1.217 19108 14003 1 16 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.947 -1.121 19108 14004 1 16 . 1 1 90 90 TYR H H 90 8.892 8.892 8.334 0.558 19108 14005 1 16 . 1 1 91 91 ARG N N 91 121.043 121.043 121.313 -0.270 19108 14006 1 16 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.779 0.464 19108 14007 1 16 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.848 -1.313 19108 14008 1 16 . 1 1 91 91 ARG CB C 91 33.132 33.132 32.973 0.159 19108 14009 1 16 . 1 1 91 91 ARG H H 91 9.327 9.327 9.205 0.122 19108 14010 1 16 . 1 1 92 92 VAL N N 92 132.287 132.287 129.569 2.718 19108 14011 1 16 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.184 -0.260 19108 14012 1 16 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.329 0.576 19108 14013 1 16 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.399 0.454 19108 14014 1 16 . 1 1 92 92 VAL H H 92 9.668 9.668 9.084 0.584 19108 14015 1 16 . 1 1 93 93 THR N N 93 124.468 124.468 124.185 0.283 19108 14016 1 16 . 1 1 93 93 THR HA H 93 5.264 5.264 4.744 0.520 19108 14017 1 16 . 1 1 93 93 THR CA C 93 61.616 61.616 62.270 -0.654 19108 14018 1 16 . 1 1 93 93 THR CB C 93 70.082 70.082 69.649 0.433 19108 14019 1 16 . 1 1 93 93 THR H H 93 9.381 9.381 8.505 0.876 19108 14020 1 16 . 1 1 94 94 TRP N N 94 124.491 124.491 127.683 -3.192 19108 14021 1 16 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.119 0.547 19108 14022 1 16 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.096 -2.891 19108 14023 1 16 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.176 2.492 19108 14024 1 16 . 1 1 94 94 TRP H H 94 9.071 9.071 9.185 -0.114 19108 14025 1 16 . 1 1 95 95 PHE N N 95 122.179 122.179 122.650 -0.471 19108 14026 1 16 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.008 0.662 19108 14027 1 16 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.411 -0.637 19108 14028 1 16 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.835 -1.386 19108 14029 1 16 . 1 1 95 95 PHE H H 95 9.578 9.578 8.580 0.998 19108 14030 1 16 . 1 1 96 96 ILE N N 96 125.072 125.072 121.530 3.542 19108 14031 1 16 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.381 0.592 19108 14032 1 16 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.621 -1.194 19108 14033 1 16 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.756 4.317 19108 14034 1 16 . 1 1 96 96 ILE H H 96 9.816 9.816 8.478 1.338 19108 14035 1 16 . 1 1 97 97 SER N N 97 124.020 124.020 117.955 6.065 19108 14036 1 16 . 1 1 97 97 SER HA H 97 3.623 3.623 4.932 -1.309 19108 14037 1 16 . 1 1 97 97 SER CA C 97 61.750 61.750 59.736 2.014 19108 14038 1 16 . 1 1 97 97 SER CB C 97 63.711 63.711 64.268 -0.557 19108 14039 1 16 . 1 1 97 97 SER H H 97 9.156 9.156 8.482 0.674 19108 14040 1 16 . 1 1 98 98 TRP N N 98 114.829 114.829 121.765 -6.936 19108 14041 1 16 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.223 0.116 19108 14042 1 16 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.250 -2.579 19108 14043 1 16 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.959 2.792 19108 14044 1 16 . 1 1 98 98 TRP H H 98 6.619 6.619 7.819 -1.200 19108 14045 1 16 . 1 1 99 99 SER N N 99 115.444 115.444 118.981 -3.537 19108 14046 1 16 . 1 1 99 99 SER CA C 99 58.045 58.045 57.067 0.978 19108 14047 1 16 . 1 1 99 99 SER CB C 99 61.927 61.927 64.141 -2.215 19108 14048 1 16 . 1 1 99 99 SER H H 99 8.590 8.590 8.330 0.260 19108 14049 1 16 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.744 -0.819 19108 14050 1 16 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.773 2.023 19108 14051 1 16 . 1 1 101 101 CYS N N 101 121.768 121.768 119.466 2.302 19108 14052 1 16 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.815 0.844 19108 14053 1 16 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.532 1.657 19108 14054 1 16 . 1 1 101 101 CYS H H 101 8.686 8.686 8.192 0.494 19108 14055 1 16 . 1 1 102 102 PHE N N 102 115.031 115.031 123.093 -8.062 19108 14056 1 16 . 1 1 102 102 PHE CA C 102 58.960 58.960 58.306 0.654 19108 14057 1 16 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.320 0.837 19108 14058 1 16 . 1 1 102 102 PHE H H 102 9.318 9.318 8.611 0.707 19108 14059 1 16 . 1 1 103 103 SER N N 103 119.552 119.552 123.556 -4.004 19108 14060 1 16 . 1 1 103 103 SER HA H 103 3.713 3.713 4.141 -0.428 19108 14061 1 16 . 1 1 103 103 SER CA C 103 63.368 63.368 61.556 1.812 19108 14062 1 16 . 1 1 103 103 SER CB C 103 60.539 60.539 62.813 -2.274 19108 14063 1 16 . 1 1 103 103 SER H H 103 10.858 10.858 9.012 1.846 19108 14064 1 16 . 1 1 104 104 TRP N N 104 117.909 117.909 123.103 -5.194 19108 14065 1 16 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.710 -0.934 19108 14066 1 16 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.932 0.282 19108 14067 1 16 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.173 -1.287 19108 14068 1 16 . 1 1 104 104 TRP H H 104 7.880 7.880 8.338 -0.458 19108 14069 1 16 . 1 1 105 105 GLY N N 105 106.359 106.359 107.644 -1.285 19108 14070 1 16 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.401 -1.320 19108 14071 1 16 . 1 1 105 105 GLY H H 105 7.468 7.468 9.078 -1.610 19108 14072 1 16 . 1 1 106 106 CYS N N 106 120.359 120.359 120.125 0.234 19108 14073 1 16 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.348 -0.489 19108 14074 1 16 . 1 1 106 106 CYS CA C 106 67.102 67.102 60.897 6.205 19108 14075 1 16 . 1 1 106 106 CYS CB C 106 28.718 28.718 25.663 3.054 19108 14076 1 16 . 1 1 106 106 CYS H H 106 7.366 7.366 7.618 -0.252 19108 14077 1 16 . 1 1 107 107 ALA N N 107 119.725 119.725 125.263 -5.538 19108 14078 1 16 . 1 1 107 107 ALA HA H 107 3.865 3.865 3.941 -0.076 19108 14079 1 16 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.399 1.535 19108 14080 1 16 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.176 0.267 19108 14081 1 16 . 1 1 107 107 ALA H H 107 8.719 8.719 8.586 0.133 19108 14082 1 16 . 1 1 108 108 GLY N N 108 103.829 103.829 106.758 -2.929 19108 14083 1 16 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.301 -0.407 19108 14084 1 16 . 1 1 108 108 GLY H H 108 8.555 8.555 8.206 0.349 19108 14085 1 16 . 1 1 109 109 GLU N N 109 123.162 123.162 122.280 0.882 19108 14086 1 16 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.106 0.160 19108 14087 1 16 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.398 -0.106 19108 14088 1 16 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.481 0.901 19108 14089 1 16 . 1 1 109 109 GLU H H 109 8.023 8.023 7.704 0.319 19108 14090 1 16 . 1 1 110 110 VAL N N 110 121.866 121.866 119.911 1.955 19108 14091 1 16 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.784 -0.085 19108 14092 1 16 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.744 1.299 19108 14093 1 16 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.412 -0.406 19108 14094 1 16 . 1 1 110 110 VAL H H 110 8.942 8.942 8.214 0.728 19108 14095 1 16 . 1 1 111 111 ARG N N 111 120.587 120.587 120.738 -0.151 19108 14096 1 16 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.719 0.067 19108 14097 1 16 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.983 0.098 19108 14098 1 16 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.010 -0.835 19108 14099 1 16 . 1 1 111 111 ARG H H 111 8.653 8.653 8.549 0.104 19108 14100 1 16 . 1 1 112 112 ALA N N 112 120.687 120.687 121.076 -0.389 19108 14101 1 16 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.023 0.111 19108 14102 1 16 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.987 0.431 19108 14103 1 16 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.095 -0.104 19108 14104 1 16 . 1 1 112 112 ALA H H 112 7.875 7.875 7.855 0.020 19108 14105 1 16 . 1 1 113 113 PHE N N 113 118.950 118.950 119.488 -0.538 19108 14106 1 16 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.117 0.220 19108 14107 1 16 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.152 0.224 19108 14108 1 16 . 1 1 113 113 PHE CB C 113 39.387 39.387 38.986 0.401 19108 14109 1 16 . 1 1 113 113 PHE H H 113 8.139 8.139 7.726 0.413 19108 14110 1 16 . 1 1 114 114 LEU N N 114 120.595 120.595 120.739 -0.144 19108 14111 1 16 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.692 0.108 19108 14112 1 16 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.121 -0.988 19108 14113 1 16 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.045 -1.136 19108 14114 1 16 . 1 1 114 114 LEU H H 114 8.639 8.639 8.237 0.402 19108 14115 1 16 . 1 1 115 115 GLN N N 115 117.666 117.666 116.824 0.842 19108 14116 1 16 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.880 0.143 19108 14117 1 16 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.461 -0.075 19108 14118 1 16 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.521 0.017 19108 14119 1 16 . 1 1 115 115 GLN H H 115 8.167 8.167 8.058 0.109 19108 14120 1 16 . 1 1 116 116 GLU N N 116 115.380 115.380 118.370 -2.990 19108 14121 1 16 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.349 -0.027 19108 14122 1 16 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.786 0.276 19108 14123 1 16 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.975 -0.260 19108 14124 1 16 . 1 1 116 116 GLU H H 116 7.448 7.448 7.623 -0.175 19108 14125 1 16 . 1 1 117 117 ASN N N 117 119.831 119.831 118.618 1.213 19108 14126 1 16 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.940 0.125 19108 14127 1 16 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.408 -0.223 19108 14128 1 16 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.353 -0.107 19108 14129 1 16 . 1 1 117 117 ASN H H 117 7.632 7.632 8.165 -0.533 19108 14130 1 16 . 1 1 118 118 THR N N 118 111.041 111.041 115.149 -4.108 19108 14131 1 16 . 1 1 118 118 THR HA H 118 4.317 4.317 3.916 0.401 19108 14132 1 16 . 1 1 118 118 THR CA C 118 64.081 64.081 63.901 0.180 19108 14133 1 16 . 1 1 118 118 THR CB C 118 68.767 68.767 68.806 -0.039 19108 14134 1 16 . 1 1 118 118 THR H H 118 8.054 8.054 7.551 0.503 19108 14135 1 16 . 1 1 119 119 HIS N N 119 120.403 120.403 115.108 5.295 19108 14136 1 16 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.594 -0.305 19108 14137 1 16 . 1 1 119 119 HIS CA C 119 56.601 56.601 54.886 1.715 19108 14138 1 16 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.686 1.634 19108 14139 1 16 . 1 1 119 119 HIS H H 119 9.248 9.248 7.977 1.271 19108 14140 1 16 . 1 1 120 120 VAL N N 120 120.001 120.001 112.444 7.557 19108 14141 1 16 . 1 1 120 120 VAL HA H 120 4.526 4.526 5.014 -0.488 19108 14142 1 16 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.169 2.721 19108 14143 1 16 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.841 -1.846 19108 14144 1 16 . 1 1 120 120 VAL H H 120 7.379 7.379 7.077 0.302 19108 14145 1 16 . 1 1 121 121 ARG N N 121 125.312 125.312 122.088 3.224 19108 14146 1 16 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.490 0.320 19108 14147 1 16 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.004 -1.937 19108 14148 1 16 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.299 -1.719 19108 14149 1 16 . 1 1 121 121 ARG H H 121 8.775 8.775 8.191 0.584 19108 14150 1 16 . 1 1 122 122 LEU N N 122 125.483 125.483 125.035 0.448 19108 14151 1 16 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.868 0.292 19108 14152 1 16 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.844 -0.543 19108 14153 1 16 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.191 2.481 19108 14154 1 16 . 1 1 122 122 LEU H H 122 9.345 9.345 8.594 0.751 19108 14155 1 16 . 1 1 123 123 ARG N N 123 127.748 127.748 126.091 1.657 19108 14156 1 16 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.399 0.337 19108 14157 1 16 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.641 -0.473 19108 14158 1 16 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.241 0.571 19108 14159 1 16 . 1 1 123 123 ARG H H 123 9.053 9.053 8.362 0.691 19108 14160 1 16 . 1 1 124 124 ILE N N 124 123.665 123.665 124.116 -0.451 19108 14161 1 16 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.339 0.103 19108 14162 1 16 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.633 0.126 19108 14163 1 16 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.602 1.291 19108 14164 1 16 . 1 1 124 124 ILE H H 124 9.019 9.019 8.634 0.385 19108 14165 1 16 . 1 1 125 125 PHE N N 125 126.320 126.320 127.053 -0.733 19108 14166 1 16 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.398 -0.233 19108 14167 1 16 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.537 0.377 19108 14168 1 16 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.109 0.710 19108 14169 1 16 . 1 1 125 125 PHE H H 125 9.359 9.359 8.070 1.289 19108 14170 1 16 . 1 1 126 126 ALA N N 126 124.526 124.526 127.727 -3.201 19108 14171 1 16 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.872 0.944 19108 14172 1 16 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.191 -2.321 19108 14173 1 16 . 1 1 126 126 ALA CB C 126 20.334 20.334 18.785 1.549 19108 14174 1 16 . 1 1 126 126 ALA H H 126 9.091 9.091 8.444 0.647 19108 14175 1 16 . 1 1 127 127 ALA N N 127 126.272 126.272 129.139 -2.867 19108 14176 1 16 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.413 0.338 19108 14177 1 16 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.758 1.710 19108 14178 1 16 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.765 -0.160 19108 14179 1 16 . 1 1 127 127 ALA H H 127 9.049 9.049 9.157 -0.108 19108 14180 1 16 . 1 1 128 128 ARG N N 128 108.570 108.570 117.618 -9.048 19108 14181 1 16 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.922 -0.508 19108 14182 1 16 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.643 3.563 19108 14183 1 16 . 1 1 128 128 ARG H H 128 6.741 6.741 7.971 -1.230 19108 14184 1 16 . 1 1 129 129 ILE N N 129 121.285 121.285 124.957 -3.672 19108 14185 1 16 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.154 0.137 19108 14186 1 16 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.626 0.241 19108 14187 1 16 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.292 0.537 19108 14188 1 16 . 1 1 129 129 ILE H H 129 8.340 8.340 8.208 0.132 19108 14189 1 16 . 1 1 130 130 TYR N N 130 130.143 130.143 125.697 4.446 19108 14190 1 16 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.321 1.014 19108 14191 1 16 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.539 -0.613 19108 14192 1 16 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.904 -2.741 19108 14193 1 16 . 1 1 130 130 TYR H H 130 8.870 8.870 8.284 0.586 19108 14194 1 16 . 1 1 131 131 ASP N N 131 123.662 123.662 120.482 3.180 19108 14195 1 16 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.845 -1.178 19108 14196 1 16 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.422 1.290 19108 14197 1 16 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.378 -2.477 19108 14198 1 16 . 1 1 131 131 ASP H H 131 8.123 8.123 8.020 0.103 19108 14199 1 16 . 1 1 132 132 TYR N N 132 116.852 116.852 119.759 -2.907 19108 14200 1 16 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.712 -0.797 19108 14201 1 16 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.672 -0.204 19108 14202 1 16 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.955 0.082 19108 14203 1 16 . 1 1 132 132 TYR H H 132 6.448 6.448 8.310 -1.862 19108 14204 1 16 . 1 1 133 133 ASP N N 133 116.930 116.930 117.839 -0.909 19108 14205 1 16 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.575 -2.410 19108 14206 1 16 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.935 0.847 19108 14207 1 16 . 1 1 133 133 ASP H H 133 7.005 7.005 8.156 -1.151 19108 14208 1 16 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.697 -0.594 19108 14209 1 16 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.503 0.198 19108 14210 1 16 . 1 1 134 134 PRO CB C 134 32.090 32.090 30.795 1.295 19108 14211 1 16 . 1 1 135 135 LEU N N 135 120.252 120.252 120.766 -0.514 19108 14212 1 16 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.958 0.740 19108 14213 1 16 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.868 -1.487 19108 14214 1 16 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.675 -1.931 19108 14215 1 16 . 1 1 135 135 LEU H H 135 8.456 8.456 8.025 0.431 19108 14216 1 16 . 1 1 136 136 TYR N N 136 117.432 117.432 118.418 -0.986 19108 14217 1 16 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.073 -0.012 19108 14218 1 16 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.770 1.288 19108 14219 1 16 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.105 0.475 19108 14220 1 16 . 1 1 136 136 TYR H H 136 8.028 8.028 7.876 0.152 19108 14221 1 16 . 1 1 137 137 LYS N N 137 122.000 122.000 119.407 2.593 19108 14222 1 16 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.353 0.946 19108 14223 1 16 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.461 -0.663 19108 14224 1 16 . 1 1 137 137 LYS H H 137 7.503 7.503 6.890 0.613 19108 14225 1 16 . 1 1 138 138 GLU N N 138 121.833 121.833 119.127 2.706 19108 14226 1 16 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.110 0.731 19108 14227 1 16 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.353 -1.884 19108 14228 1 16 . 1 1 138 138 GLU H H 138 8.752 8.752 7.724 1.028 19108 14229 1 16 . 1 1 139 139 ALA N N 139 119.592 119.592 122.968 -3.376 19108 14230 1 16 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.035 -0.189 19108 14231 1 16 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.111 0.028 19108 14232 1 16 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.502 1.753 19108 14233 1 16 . 1 1 139 139 ALA H H 139 7.682 7.682 7.479 0.203 19108 14234 1 16 . 1 1 140 140 LEU N N 140 116.268 116.268 119.183 -2.915 19108 14235 1 16 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.981 0.212 19108 14236 1 16 . 1 1 140 140 LEU CB C 140 41.095 41.095 40.782 0.312 19108 14237 1 16 . 1 1 140 140 LEU H H 140 7.175 7.175 7.830 -0.655 19108 14238 1 16 . 1 1 141 141 GLN N N 141 117.550 117.550 117.922 -0.372 19108 14239 1 16 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.917 -0.198 19108 14240 1 16 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.643 0.408 19108 14241 1 16 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.310 -0.716 19108 14242 1 16 . 1 1 141 141 GLN H H 141 8.322 8.322 7.560 0.762 19108 14243 1 16 . 1 1 142 142 MET N N 142 118.520 118.520 119.430 -0.910 19108 14244 1 16 . 1 1 142 142 MET HA H 142 4.135 4.135 3.879 0.256 19108 14245 1 16 . 1 1 142 142 MET CA C 142 59.051 59.051 59.262 -0.211 19108 14246 1 16 . 1 1 142 142 MET CB C 142 33.170 33.170 32.446 0.724 19108 14247 1 16 . 1 1 142 142 MET H H 142 8.241 8.241 7.655 0.586 19108 14248 1 16 . 1 1 143 143 LEU N N 143 118.659 118.659 118.586 0.073 19108 14249 1 16 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.816 0.476 19108 14250 1 16 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.487 -0.372 19108 14251 1 16 . 1 1 143 143 LEU CB C 143 41.377 41.377 40.880 0.497 19108 14252 1 16 . 1 1 143 143 LEU H H 143 7.932 7.932 8.511 -0.579 19108 14253 1 16 . 1 1 144 144 ARG N N 144 121.294 121.294 118.058 3.236 19108 14254 1 16 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.917 0.509 19108 14255 1 16 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.337 -0.348 19108 14256 1 16 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.897 -1.789 19108 14257 1 16 . 1 1 144 144 ARG H H 144 7.968 7.968 7.799 0.169 19108 14258 1 16 . 1 1 145 145 ASP N N 145 122.553 122.553 117.281 5.272 19108 14259 1 16 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.486 -0.057 19108 14260 1 16 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.800 0.778 19108 14261 1 16 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.895 -1.306 19108 14262 1 16 . 1 1 145 145 ASP H H 145 8.868 8.868 7.937 0.931 19108 14263 1 16 . 1 1 146 146 ALA N N 146 120.102 120.102 120.062 0.040 19108 14264 1 16 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.438 -0.020 19108 14265 1 16 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.324 -0.290 19108 14266 1 16 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.027 -0.732 19108 14267 1 16 . 1 1 146 146 ALA H H 146 7.737 7.737 7.757 -0.020 19108 14268 1 16 . 1 1 147 147 GLY N N 147 105.039 105.039 106.243 -1.204 19108 14269 1 16 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.870 -0.006 19108 14270 1 16 . 1 1 147 147 GLY H H 147 7.966 7.966 7.654 0.312 19108 14271 1 16 . 1 1 148 148 ALA N N 148 124.181 124.181 121.059 3.122 19108 14272 1 16 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.557 0.132 19108 14273 1 16 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.711 0.748 19108 14274 1 16 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.248 -2.769 19108 14275 1 16 . 1 1 148 148 ALA H H 148 8.051 8.051 7.235 0.816 19108 14276 1 16 . 1 1 149 149 GLN N N 149 122.185 122.185 119.449 2.736 19108 14277 1 16 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.539 -0.100 19108 14278 1 16 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.000 -0.045 19108 14279 1 16 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.618 -1.197 19108 14280 1 16 . 1 1 149 149 GLN H H 149 7.953 7.953 8.030 -0.077 19108 14281 1 16 . 1 1 150 150 VAL N N 150 127.399 127.399 121.115 6.284 19108 14282 1 16 . 1 1 150 150 VAL HA H 150 4.752 4.752 5.018 -0.266 19108 14283 1 16 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.484 0.955 19108 14284 1 16 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.164 0.014 19108 14285 1 16 . 1 1 150 150 VAL H H 150 8.658 8.658 8.428 0.230 19108 14286 1 16 . 1 1 151 151 SER N N 151 120.616 120.616 122.057 -1.441 19108 14287 1 16 . 1 1 151 151 SER HA H 151 5.179 5.179 4.820 0.359 19108 14288 1 16 . 1 1 151 151 SER CA C 151 56.981 56.981 57.225 -0.244 19108 14289 1 16 . 1 1 151 151 SER CB C 151 66.538 66.538 67.322 -0.784 19108 14290 1 16 . 1 1 151 151 SER H H 151 8.737 8.737 8.278 0.459 19108 14291 1 16 . 1 1 152 152 ILE N N 152 123.180 123.180 122.075 1.105 19108 14292 1 16 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.622 0.525 19108 14293 1 16 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.857 -4.339 19108 14294 1 16 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.601 -1.521 19108 14295 1 16 . 1 1 152 152 ILE H H 152 8.672 8.672 8.603 0.069 19108 14296 1 16 . 1 1 153 153 MET N N 153 123.477 123.477 129.010 -5.533 19108 14297 1 16 . 1 1 153 153 MET HA H 153 3.886 3.886 4.484 -0.598 19108 14298 1 16 . 1 1 153 153 MET CA C 153 59.053 59.053 56.539 2.514 19108 14299 1 16 . 1 1 153 153 MET CB C 153 34.793 34.793 32.936 1.857 19108 14300 1 16 . 1 1 153 153 MET H H 153 8.314 8.314 8.071 0.243 19108 14301 1 16 . 1 1 154 154 THR N N 154 117.621 117.621 119.723 -2.102 19108 14302 1 16 . 1 1 154 154 THR HA H 154 4.951 4.951 4.783 0.168 19108 14303 1 16 . 1 1 154 154 THR CA C 154 60.436 60.436 59.797 0.639 19108 14304 1 16 . 1 1 154 154 THR CB C 154 72.370 72.370 71.135 1.235 19108 14305 1 16 . 1 1 154 154 THR H H 154 9.630 9.630 8.115 1.515 19108 14306 1 16 . 1 1 155 155 TYR N N 155 121.751 121.751 122.218 -0.467 19108 14307 1 16 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.191 -0.092 19108 14308 1 16 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.742 2.697 19108 14309 1 16 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.924 1.362 19108 14310 1 16 . 1 1 155 155 TYR H H 155 9.769 9.769 8.904 0.865 19108 14311 1 16 . 1 1 156 156 ASP N N 156 115.555 115.555 117.625 -2.070 19108 14312 1 16 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.704 0.405 19108 14313 1 16 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.911 0.348 19108 14314 1 16 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.142 0.476 19108 14315 1 16 . 1 1 156 156 ASP H H 156 8.230 8.230 8.485 -0.255 19108 14316 1 16 . 1 1 157 157 GLU N N 157 117.678 117.678 119.707 -2.029 19108 14317 1 16 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.807 0.063 19108 14318 1 16 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.233 1.274 19108 14319 1 16 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.444 1.604 19108 14320 1 16 . 1 1 157 157 GLU H H 157 7.470 7.470 7.348 0.122 19108 14321 1 16 . 1 1 158 158 PHE N N 158 119.869 119.869 119.255 0.614 19108 14322 1 16 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.812 0.017 19108 14323 1 16 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.207 1.569 19108 14324 1 16 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.269 1.638 19108 14325 1 16 . 1 1 158 158 PHE H H 158 8.077 8.077 8.157 -0.080 19108 14326 1 16 . 1 1 159 159 LYS N N 159 118.859 118.859 118.480 0.379 19108 14327 1 16 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.809 0.108 19108 14328 1 16 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.801 -0.570 19108 14329 1 16 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.264 -0.301 19108 14330 1 16 . 1 1 159 159 LYS H H 159 8.273 8.273 7.778 0.495 19108 14331 1 16 . 1 1 160 160 HIS N N 160 115.889 115.889 119.340 -3.451 19108 14332 1 16 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.464 -0.305 19108 14333 1 16 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.953 1.028 19108 14334 1 16 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.299 -1.369 19108 14335 1 16 . 1 1 160 160 HIS H H 160 7.695 7.695 7.803 -0.108 19108 14336 1 16 . 1 1 161 161 CYS N N 161 118.188 118.188 117.731 0.457 19108 14337 1 16 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.173 0.616 19108 14338 1 16 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.675 0.119 19108 14339 1 16 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.632 1.254 19108 14340 1 16 . 1 1 161 161 CYS H H 161 7.885 7.885 8.103 -0.218 19108 14341 1 16 . 1 1 162 162 TRP N N 162 122.741 122.741 122.531 0.210 19108 14342 1 16 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.414 0.350 19108 14343 1 16 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.660 0.057 19108 14344 1 16 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.027 -0.434 19108 14345 1 16 . 1 1 162 162 TRP H H 162 8.040 8.040 7.810 0.230 19108 14346 1 16 . 1 1 163 163 ASP N N 163 113.796 113.796 117.589 -3.793 19108 14347 1 16 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.175 0.951 19108 14348 1 16 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.636 1.293 19108 14349 1 16 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.158 1.377 19108 14350 1 16 . 1 1 163 163 ASP H H 163 8.319 8.319 7.852 0.467 19108 14351 1 16 . 1 1 164 164 THR N N 164 112.008 112.008 113.630 -1.622 19108 14352 1 16 . 1 1 164 164 THR HA H 164 3.803 3.803 3.951 -0.148 19108 14353 1 16 . 1 1 164 164 THR CA C 164 65.164 65.164 63.828 1.336 19108 14354 1 16 . 1 1 164 164 THR CB C 164 70.171 70.171 69.123 1.048 19108 14355 1 16 . 1 1 164 164 THR H H 164 7.494 7.494 7.290 0.204 19108 14356 1 16 . 1 1 165 165 PHE N N 165 115.079 115.079 118.951 -3.872 19108 14357 1 16 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.465 0.070 19108 14358 1 16 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.531 0.438 19108 14359 1 16 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.870 -0.502 19108 14360 1 16 . 1 1 165 165 PHE H H 165 8.235 8.235 7.333 0.902 19108 14361 1 16 . 1 1 166 166 VAL N N 166 118.432 118.432 119.245 -0.813 19108 14362 1 16 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.469 -0.444 19108 14363 1 16 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.970 1.031 19108 14364 1 16 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.705 -3.350 19108 14365 1 16 . 1 1 166 166 VAL H H 166 6.838 6.838 7.231 -0.393 19108 14366 1 16 . 1 1 167 167 ASP N N 167 126.263 126.263 126.749 -0.486 19108 14367 1 16 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.601 -0.753 19108 14368 1 16 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.813 -2.183 19108 14369 1 16 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.878 -0.798 19108 14370 1 16 . 1 1 167 167 ASP H H 167 8.498 8.498 8.429 0.069 19108 14371 1 16 . 1 1 168 168 HIS N N 168 119.890 119.890 116.474 3.416 19108 14372 1 16 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.193 0.153 19108 14373 1 16 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.514 -0.939 19108 14374 1 16 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.601 2.861 19108 14375 1 16 . 1 1 168 168 HIS H H 168 6.977 6.977 7.393 -0.416 19108 14376 1 16 . 1 1 169 169 GLN N N 169 119.254 119.254 114.259 4.995 19108 14377 1 16 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.960 -0.237 19108 14378 1 16 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.889 -0.119 19108 14379 1 16 . 1 1 169 169 GLN CB C 169 26.521 26.521 28.050 -1.529 19108 14380 1 16 . 1 1 169 169 GLN H H 169 9.126 9.126 8.602 0.524 19108 14381 1 16 . 1 1 170 170 GLY N N 170 111.911 111.911 102.299 9.612 19108 14382 1 16 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.048 0.776 19108 14383 1 16 . 1 1 170 170 GLY H H 170 11.556 11.556 6.357 5.199 19108 14384 1 16 . 1 1 171 171 CYS N N 171 123.390 123.390 119.888 3.502 19108 14385 1 16 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.042 -0.326 19108 14386 1 16 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.292 1.493 19108 14387 1 16 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.996 -2.092 19108 14388 1 16 . 1 1 171 171 CYS H H 171 8.044 8.044 7.202 0.842 19108 14389 1 16 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.660 -0.042 19108 14390 1 16 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.427 -0.569 19108 14391 1 16 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.503 0.026 19108 14392 1 16 . 1 1 173 173 PHE N N 173 121.101 121.101 118.948 2.153 19108 14393 1 16 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.886 -0.230 19108 14394 1 16 . 1 1 173 173 PHE CA C 173 57.541 57.541 57.112 0.429 19108 14395 1 16 . 1 1 173 173 PHE CB C 173 38.746 38.746 40.085 -1.339 19108 14396 1 16 . 1 1 173 173 PHE H H 173 8.842 8.842 8.212 0.630 19108 14397 1 16 . 1 1 174 174 GLN N N 174 129.493 129.493 123.442 6.051 19108 14398 1 16 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.040 0.277 19108 14399 1 16 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.247 -0.452 19108 14400 1 16 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.414 -0.317 19108 14401 1 16 . 1 1 174 174 GLN H H 174 7.250 7.250 6.976 0.274 19108 14402 1 16 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.790 -0.876 19108 14403 1 16 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.012 0.411 19108 14404 1 16 . 1 1 176 176 TRP N N 176 118.133 118.133 120.418 -2.285 19108 14405 1 16 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.717 -0.084 19108 14406 1 16 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.397 -0.235 19108 14407 1 16 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.585 -0.696 19108 14408 1 16 . 1 1 176 176 TRP H H 176 5.591 5.591 6.908 -1.317 19108 14409 1 16 . 1 1 177 177 ASP N N 177 121.814 121.814 122.820 -1.006 19108 14410 1 16 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.466 -0.069 19108 14411 1 16 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.625 1.547 19108 14412 1 16 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.685 -0.010 19108 14413 1 16 . 1 1 177 177 ASP H H 177 8.848 8.848 8.661 0.187 19108 14414 1 16 . 1 1 178 178 GLY N N 178 111.875 111.875 113.016 -1.141 19108 14415 1 16 . 1 1 178 178 GLY CA C 178 45.666 45.666 44.863 0.803 19108 14416 1 16 . 1 1 178 178 GLY H H 178 8.987 8.987 8.073 0.914 19108 14417 1 16 . 1 1 179 179 LEU N N 179 121.470 121.470 122.485 -1.015 19108 14418 1 16 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.165 0.323 19108 14419 1 16 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.575 2.207 19108 14420 1 16 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.758 0.471 19108 14421 1 16 . 1 1 179 179 LEU H H 179 7.148 7.148 7.454 -0.306 19108 14422 1 16 . 1 1 180 180 ASP N N 180 119.476 119.476 118.842 0.634 19108 14423 1 16 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.258 0.234 19108 14424 1 16 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.439 -0.500 19108 14425 1 16 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.321 0.392 19108 14426 1 16 . 1 1 180 180 ASP H H 180 8.874 8.874 8.564 0.310 19108 14427 1 16 . 1 1 181 181 GLU N N 181 122.379 122.379 119.072 3.307 19108 14428 1 16 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.001 0.011 19108 14429 1 16 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.467 0.502 19108 14430 1 16 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.506 -0.580 19108 14431 1 16 . 1 1 181 181 GLU H H 181 8.712 8.712 8.495 0.217 19108 14432 1 16 . 1 1 182 182 HIS N N 182 118.572 118.572 117.639 0.933 19108 14433 1 16 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.304 0.450 19108 14434 1 16 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.316 0.713 19108 14435 1 16 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.217 -0.369 19108 14436 1 16 . 1 1 182 182 HIS H H 182 8.854 8.854 7.951 0.903 19108 14437 1 16 . 1 1 183 183 SER N N 183 116.329 116.329 114.095 2.234 19108 14438 1 16 . 1 1 183 183 SER HA H 183 4.554 4.554 4.171 0.383 19108 14439 1 16 . 1 1 183 183 SER CA C 183 63.604 63.604 62.019 1.585 19108 14440 1 16 . 1 1 183 183 SER CB C 183 65.216 65.216 62.981 2.235 19108 14441 1 16 . 1 1 183 183 SER H H 183 8.665 8.665 8.765 -0.100 19108 14442 1 16 . 1 1 184 184 GLN N N 184 122.215 122.215 119.965 2.250 19108 14443 1 16 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.142 0.105 19108 14444 1 16 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.424 0.536 19108 14445 1 16 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.477 0.458 19108 14446 1 16 . 1 1 184 184 GLN H H 184 8.714 8.714 8.262 0.452 19108 14447 1 16 . 1 1 185 185 ALA N N 185 124.432 124.432 123.479 0.953 19108 14448 1 16 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.151 0.133 19108 14449 1 16 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.992 0.478 19108 14450 1 16 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.291 0.083 19108 14451 1 16 . 1 1 185 185 ALA H H 185 8.258 8.258 7.634 0.624 19108 14452 1 16 . 1 1 186 186 LEU N N 186 119.941 119.941 119.034 0.907 19108 14453 1 16 . 1 1 186 186 LEU HA H 186 4.212 4.212 4.010 0.202 19108 14454 1 16 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.852 0.364 19108 14455 1 16 . 1 1 186 186 LEU CB C 186 42.764 42.764 40.540 2.224 19108 14456 1 16 . 1 1 186 186 LEU H H 186 8.953 8.953 8.202 0.751 19108 14457 1 16 . 1 1 187 187 SER N N 187 116.987 116.987 114.359 2.628 19108 14458 1 16 . 1 1 187 187 SER HA H 187 4.039 4.039 4.139 -0.100 19108 14459 1 16 . 1 1 187 187 SER CA C 187 63.302 63.302 62.002 1.300 19108 14460 1 16 . 1 1 187 187 SER CB C 187 62.760 62.760 62.901 -0.141 19108 14461 1 16 . 1 1 187 187 SER H H 187 8.935 8.935 8.642 0.293 19108 14462 1 16 . 1 1 188 188 GLY N N 188 110.215 110.215 108.532 1.683 19108 14463 1 16 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.864 0.290 19108 14464 1 16 . 1 1 188 188 GLY H H 188 8.228 8.228 8.097 0.131 19108 14465 1 16 . 1 1 189 189 ARG N N 189 122.994 122.994 122.773 0.221 19108 14466 1 16 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.098 0.139 19108 14467 1 16 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.635 0.924 19108 14468 1 16 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.847 0.548 19108 14469 1 16 . 1 1 189 189 ARG H H 189 7.838 7.838 7.601 0.237 19108 14470 1 16 . 1 1 190 190 LEU N N 190 119.765 119.765 119.081 0.684 19108 14471 1 16 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.266 -0.028 19108 14472 1 16 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.474 0.745 19108 14473 1 16 . 1 1 190 190 LEU CB C 190 41.242 41.242 42.065 -0.823 19108 14474 1 16 . 1 1 190 190 LEU H H 190 8.791 8.791 7.764 1.027 19108 14475 1 16 . 1 1 191 191 ARG N N 191 118.427 118.427 119.479 -1.052 19108 14476 1 16 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.093 -0.050 19108 14477 1 16 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.892 0.890 19108 14478 1 16 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.252 -0.061 19108 14479 1 16 . 1 1 191 191 ARG H H 191 8.305 8.305 8.441 -0.136 19108 14480 1 16 . 1 1 192 192 ALA N N 192 119.414 119.414 121.939 -2.525 19108 14481 1 16 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.193 0.024 19108 14482 1 16 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.315 0.401 19108 14483 1 16 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.472 -0.307 19108 14484 1 16 . 1 1 192 192 ALA H H 192 7.414 7.414 7.652 -0.238 19108 14485 1 16 . 1 1 193 193 ILE N N 193 118.949 118.949 118.410 0.539 19108 14486 1 16 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.928 -0.158 19108 14487 1 16 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.505 1.333 19108 14488 1 16 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.388 1.058 19108 14489 1 16 . 1 1 193 193 ILE H H 193 7.896 7.896 7.634 0.262 19108 14490 1 16 . 1 1 194 194 LEU N N 194 116.435 116.435 118.417 -1.982 19108 14491 1 16 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.326 -0.053 19108 14492 1 16 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.657 0.056 19108 14493 1 16 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.904 -2.433 19108 14494 1 16 . 1 1 194 194 LEU H H 194 8.296 8.296 7.843 0.453 19108 14495 1 16 . 1 1 195 195 GLN N N 195 118.580 118.580 116.582 1.998 19108 14496 1 16 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.934 0.401 19108 14497 1 16 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.596 -2.179 19108 14498 1 16 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.189 1.409 19108 14499 1 16 . 1 1 195 195 GLN H H 195 7.921 7.921 7.682 0.239 19108 14500 1 16 . 1 1 196 196 ASN N N 196 118.941 118.941 117.484 1.457 19108 14501 1 16 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.905 -0.203 19108 14502 1 16 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.052 0.398 19108 14503 1 16 . 1 1 196 196 ASN CB C 196 38.825 38.825 40.156 -1.331 19108 14504 1 16 . 1 1 196 196 ASN H H 196 8.078 8.078 8.338 -0.260 19108 14505 1 16 . 1 1 197 197 GLN N N 197 120.984 120.984 122.327 -1.343 19108 14506 1 16 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.149 0.207 19108 14507 1 16 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.853 -0.687 19108 14508 1 16 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.338 0.158 19108 14509 1 16 . 1 1 197 197 GLN H H 197 8.526 8.526 8.497 0.029 19108 14510 1 16 . 1 1 198 198 GLY N N 198 109.565 109.565 113.793 -4.228 19108 14511 1 16 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.859 -0.475 19108 14512 1 16 . 1 1 198 198 GLY H H 198 8.467 8.467 8.696 -0.229 19108 14513 1 17 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.191 0.183 19108 14514 1 17 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.608 -0.260 19108 14515 1 17 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.727 -0.274 19108 14516 1 17 . 1 1 3 3 ALA N N 3 125.932 125.932 124.501 1.431 19108 14517 1 17 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.383 -0.033 19108 14518 1 17 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.140 -0.733 19108 14519 1 17 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.301 0.279 19108 14520 1 17 . 1 1 3 3 ALA H H 3 8.526 8.526 8.237 0.289 19108 14521 1 17 . 1 1 4 4 SER N N 4 116.729 116.729 117.915 -1.186 19108 14522 1 17 . 1 1 4 4 SER HA H 4 4.766 4.766 4.573 0.193 19108 14523 1 17 . 1 1 4 4 SER CA C 4 56.283 56.283 56.668 -0.385 19108 14524 1 17 . 1 1 4 4 SER CB C 4 63.278 63.278 63.121 0.157 19108 14525 1 17 . 1 1 4 4 SER H H 4 8.397 8.397 8.555 -0.158 19108 14526 1 17 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.608 -0.162 19108 14527 1 17 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.908 0.398 19108 14528 1 17 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.394 -0.297 19108 14529 1 17 . 1 1 6 6 ALA N N 6 124.236 124.236 121.837 2.399 19108 14530 1 17 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.482 -0.149 19108 14531 1 17 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.933 0.630 19108 14532 1 17 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.818 -1.484 19108 14533 1 17 . 1 1 6 6 ALA H H 6 8.411 8.411 8.042 0.369 19108 14534 1 17 . 1 1 7 7 SER N N 7 114.497 114.497 114.335 0.162 19108 14535 1 17 . 1 1 7 7 SER HA H 7 4.475 4.475 4.579 -0.104 19108 14536 1 17 . 1 1 7 7 SER CA C 7 58.258 58.258 58.407 -0.149 19108 14537 1 17 . 1 1 7 7 SER CB C 7 64.174 64.174 63.272 0.902 19108 14538 1 17 . 1 1 7 7 SER H H 7 8.195 8.195 8.640 -0.445 19108 14539 1 17 . 1 1 8 8 GLY N N 8 110.497 110.497 111.212 -0.715 19108 14540 1 17 . 1 1 8 8 GLY CA C 8 44.846 44.846 43.683 1.163 19108 14541 1 17 . 1 1 8 8 GLY H H 8 8.226 8.226 7.983 0.243 19108 14542 1 17 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.125 0.324 19108 14543 1 17 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.907 -0.473 19108 14544 1 17 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.413 -0.220 19108 14545 1 17 . 1 1 10 10 ARG N N 10 120.534 120.534 121.046 -0.512 19108 14546 1 17 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.425 -0.084 19108 14547 1 17 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.975 1.041 19108 14548 1 17 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.895 -1.086 19108 14549 1 17 . 1 1 10 10 ARG H H 10 8.469 8.469 7.400 1.069 19108 14550 1 17 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.387 0.438 19108 14551 1 17 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.483 -0.022 19108 14552 1 17 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.107 1.084 19108 14553 1 17 . 1 1 12 12 LEU N N 12 122.284 122.284 118.813 3.471 19108 14554 1 17 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.075 0.534 19108 14555 1 17 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.120 1.909 19108 14556 1 17 . 1 1 12 12 LEU H H 12 8.250 8.250 8.046 0.204 19108 14557 1 17 . 1 1 13 13 MET N N 13 121.493 121.493 118.476 3.017 19108 14558 1 17 . 1 1 13 13 MET HA H 13 4.038 4.038 4.327 -0.289 19108 14559 1 17 . 1 1 13 13 MET CA C 13 54.449 54.449 55.800 -1.351 19108 14560 1 17 . 1 1 13 13 MET CB C 13 35.015 35.015 32.741 2.274 19108 14561 1 17 . 1 1 13 13 MET H H 13 8.955 8.955 8.221 0.734 19108 14562 1 17 . 1 1 14 14 ASP N N 14 127.113 127.113 119.483 7.630 19108 14563 1 17 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.261 -1.161 19108 14564 1 17 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.551 -0.095 19108 14565 1 17 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.681 0.828 19108 14566 1 17 . 1 1 14 14 ASP H H 14 8.514 8.514 8.400 0.114 19108 14567 1 17 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.224 -0.371 19108 14568 1 17 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.770 -0.116 19108 14569 1 17 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.118 -0.467 19108 14570 1 17 . 1 1 16 16 HIS N N 16 115.776 115.776 116.367 -0.591 19108 14571 1 17 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.353 -0.075 19108 14572 1 17 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.043 -1.125 19108 14573 1 17 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.711 -0.503 19108 14574 1 17 . 1 1 16 16 HIS H H 16 8.591 8.591 8.609 -0.018 19108 14575 1 17 . 1 1 17 17 ILE N N 17 122.675 122.675 118.522 4.153 19108 14576 1 17 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.672 -0.188 19108 14577 1 17 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.503 -1.277 19108 14578 1 17 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.945 -0.848 19108 14579 1 17 . 1 1 17 17 ILE H H 17 7.558 7.558 8.234 -0.676 19108 14580 1 17 . 1 1 18 18 PHE N N 18 120.513 120.513 120.640 -0.127 19108 14581 1 17 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.135 -0.132 19108 14582 1 17 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.462 0.342 19108 14583 1 17 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.592 0.048 19108 14584 1 17 . 1 1 18 18 PHE H H 18 7.831 7.831 8.373 -0.542 19108 14585 1 17 . 1 1 19 19 THR N N 19 114.555 114.555 116.274 -1.719 19108 14586 1 17 . 1 1 19 19 THR HA H 19 3.657 3.657 4.169 -0.512 19108 14587 1 17 . 1 1 19 19 THR CA C 19 66.485 66.485 66.411 0.074 19108 14588 1 17 . 1 1 19 19 THR CB C 19 68.345 68.345 68.662 -0.317 19108 14589 1 17 . 1 1 19 19 THR H H 19 9.036 9.036 8.666 0.370 19108 14590 1 17 . 1 1 20 20 SER N N 20 113.030 113.030 116.071 -3.041 19108 14591 1 17 . 1 1 20 20 SER HA H 20 4.062 4.062 4.053 0.009 19108 14592 1 17 . 1 1 20 20 SER CA C 20 60.610 60.610 61.489 -0.879 19108 14593 1 17 . 1 1 20 20 SER CB C 20 63.843 63.843 62.774 1.069 19108 14594 1 17 . 1 1 20 20 SER H H 20 7.809 7.809 8.254 -0.445 19108 14595 1 17 . 1 1 21 21 ASN N N 21 115.629 115.629 121.512 -5.883 19108 14596 1 17 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.332 0.079 19108 14597 1 17 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.247 1.742 19108 14598 1 17 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.850 3.730 19108 14599 1 17 . 1 1 21 21 ASN H H 21 7.362 7.362 7.588 -0.226 19108 14600 1 17 . 1 1 22 22 PHE N N 22 117.773 117.773 115.812 1.961 19108 14601 1 17 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.597 -0.324 19108 14602 1 17 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.329 -0.869 19108 14603 1 17 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.781 -0.951 19108 14604 1 17 . 1 1 22 22 PHE H H 22 8.296 8.296 8.087 0.209 19108 14605 1 17 . 1 1 23 23 ASN N N 23 115.026 115.026 121.037 -6.011 19108 14606 1 17 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.431 0.098 19108 14607 1 17 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.702 -0.060 19108 14608 1 17 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.520 -1.897 19108 14609 1 17 . 1 1 23 23 ASN H H 23 6.097 6.097 7.562 -1.465 19108 14610 1 17 . 1 1 24 24 ASN N N 24 122.900 122.900 124.458 -1.558 19108 14611 1 17 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.619 -0.186 19108 14612 1 17 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.621 -1.348 19108 14613 1 17 . 1 1 24 24 ASN CB C 24 37.892 37.892 39.014 -1.122 19108 14614 1 17 . 1 1 24 24 ASN H H 24 7.083 7.083 8.001 -0.918 19108 14615 1 17 . 1 1 25 25 GLY N N 25 105.587 105.587 108.893 -3.306 19108 14616 1 17 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.472 -0.607 19108 14617 1 17 . 1 1 25 25 GLY H H 25 8.520 8.520 8.512 0.008 19108 14618 1 17 . 1 1 26 26 ILE N N 26 120.182 120.182 116.813 3.369 19108 14619 1 17 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.493 -0.319 19108 14620 1 17 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.736 1.707 19108 14621 1 17 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.442 0.073 19108 14622 1 17 . 1 1 26 26 ILE H H 26 6.944 6.944 7.881 -0.937 19108 14623 1 17 . 1 1 27 27 GLY N N 27 111.665 111.665 107.867 3.798 19108 14624 1 17 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.272 0.047 19108 14625 1 17 . 1 1 27 27 GLY H H 27 8.457 8.457 8.171 0.286 19108 14626 1 17 . 1 1 28 28 ARG N N 28 117.565 117.565 119.720 -2.155 19108 14627 1 17 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.872 -2.307 19108 14628 1 17 . 1 1 28 28 ARG H H 28 6.741 6.741 7.710 -0.969 19108 14629 1 17 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.086 1.917 19108 14630 1 17 . 1 1 29 29 HIS CB C 29 29.044 29.044 31.461 -2.417 19108 14631 1 17 . 1 1 29 29 HIS H H 29 8.636 8.636 8.368 0.268 19108 14632 1 17 . 1 1 30 30 LYS N N 30 119.344 119.344 118.826 0.518 19108 14633 1 17 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.251 0.170 19108 14634 1 17 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.772 1.092 19108 14635 1 17 . 1 1 30 30 LYS CB C 30 35.191 35.191 32.361 2.830 19108 14636 1 17 . 1 1 30 30 LYS H H 30 7.870 7.870 7.899 -0.029 19108 14637 1 17 . 1 1 31 31 THR N N 31 118.233 118.233 116.886 1.347 19108 14638 1 17 . 1 1 31 31 THR HA H 31 4.125 4.125 3.783 0.342 19108 14639 1 17 . 1 1 31 31 THR CA C 31 63.175 63.175 62.744 0.431 19108 14640 1 17 . 1 1 31 31 THR H H 31 8.436 8.436 7.445 0.991 19108 14641 1 17 . 1 1 32 32 TYR N N 32 124.026 124.026 124.834 -0.808 19108 14642 1 17 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.076 -0.140 19108 14643 1 17 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.569 -0.068 19108 14644 1 17 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.635 1.769 19108 14645 1 17 . 1 1 32 32 TYR H H 32 8.244 8.244 8.803 -0.559 19108 14646 1 17 . 1 1 33 33 LEU N N 33 125.428 125.428 125.002 0.426 19108 14647 1 17 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.378 -0.299 19108 14648 1 17 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.073 1.765 19108 14649 1 17 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.087 1.897 19108 14650 1 17 . 1 1 33 33 LEU H H 33 9.232 9.232 8.892 0.340 19108 14651 1 17 . 1 1 34 34 CYS N N 34 125.975 125.975 126.482 -0.507 19108 14652 1 17 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.168 -0.162 19108 14653 1 17 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.324 0.821 19108 14654 1 17 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.112 1.190 19108 14655 1 17 . 1 1 34 34 CYS H H 34 9.640 9.640 9.031 0.609 19108 14656 1 17 . 1 1 35 35 TYR N N 35 121.183 121.183 122.386 -1.203 19108 14657 1 17 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.621 0.867 19108 14658 1 17 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.913 -0.131 19108 14659 1 17 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.642 2.448 19108 14660 1 17 . 1 1 35 35 TYR H H 35 9.094 9.094 8.793 0.301 19108 14661 1 17 . 1 1 36 36 GLU N N 36 115.538 115.538 122.599 -7.061 19108 14662 1 17 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.951 0.484 19108 14663 1 17 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.295 1.096 19108 14664 1 17 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.200 0.344 19108 14665 1 17 . 1 1 36 36 GLU H H 36 8.977 8.977 8.744 0.233 19108 14666 1 17 . 1 1 37 37 VAL N N 37 121.600 121.600 126.305 -4.705 19108 14667 1 17 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.494 0.665 19108 14668 1 17 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.413 -0.365 19108 14669 1 17 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.252 1.817 19108 14670 1 17 . 1 1 37 37 VAL H H 37 9.271 9.271 8.948 0.323 19108 14671 1 17 . 1 1 38 38 GLU N N 38 125.227 125.227 126.468 -1.241 19108 14672 1 17 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.398 -0.180 19108 14673 1 17 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.882 -0.630 19108 14674 1 17 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.258 0.669 19108 14675 1 17 . 1 1 38 38 GLU H H 38 9.114 9.114 8.495 0.619 19108 14676 1 17 . 1 1 39 39 ARG N N 39 124.872 124.872 122.590 2.282 19108 14677 1 17 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.726 0.639 19108 14678 1 17 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.382 0.865 19108 14679 1 17 . 1 1 39 39 ARG CB C 39 32.565 32.565 33.826 -1.261 19108 14680 1 17 . 1 1 39 39 ARG H H 39 9.215 9.215 8.915 0.300 19108 14681 1 17 . 1 1 40 40 LEU N N 40 126.510 126.510 125.154 1.356 19108 14682 1 17 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.417 0.336 19108 14683 1 17 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.699 -0.376 19108 14684 1 17 . 1 1 40 40 LEU CB C 40 40.843 40.843 41.808 -0.965 19108 14685 1 17 . 1 1 40 40 LEU H H 40 8.659 8.659 7.765 0.894 19108 14686 1 17 . 1 1 41 41 ASP N N 41 124.410 124.410 121.758 2.652 19108 14687 1 17 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.716 0.077 19108 14688 1 17 . 1 1 41 41 ASP CA C 41 53.218 53.218 54.276 -1.058 19108 14689 1 17 . 1 1 41 41 ASP CB C 41 41.733 41.733 43.088 -1.355 19108 14690 1 17 . 1 1 41 41 ASP H H 41 8.575 8.575 8.176 0.399 19108 14691 1 17 . 1 1 42 42 ASN N N 42 123.319 123.319 122.890 0.429 19108 14692 1 17 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.384 0.036 19108 14693 1 17 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.666 0.507 19108 14694 1 17 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.255 -0.408 19108 14695 1 17 . 1 1 42 42 ASN H H 42 9.048 9.048 8.842 0.206 19108 14696 1 17 . 1 1 43 43 GLY N N 43 106.044 106.044 101.498 4.546 19108 14697 1 17 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.491 -0.097 19108 14698 1 17 . 1 1 43 43 GLY H H 43 8.548 8.548 8.364 0.184 19108 14699 1 17 . 1 1 44 44 THR N N 44 115.893 115.893 117.647 -1.754 19108 14700 1 17 . 1 1 44 44 THR HA H 44 4.524 4.524 4.526 -0.002 19108 14701 1 17 . 1 1 44 44 THR CA C 44 61.285 61.285 61.573 -0.288 19108 14702 1 17 . 1 1 44 44 THR CB C 44 70.572 70.572 69.829 0.743 19108 14703 1 17 . 1 1 44 44 THR H H 44 7.833 7.833 7.812 0.021 19108 14704 1 17 . 1 1 45 45 SER N N 45 119.589 119.589 122.431 -2.842 19108 14705 1 17 . 1 1 45 45 SER HA H 45 4.804 4.804 4.823 -0.019 19108 14706 1 17 . 1 1 45 45 SER CA C 45 58.080 58.080 57.791 0.289 19108 14707 1 17 . 1 1 45 45 SER CB C 45 64.265 64.265 63.848 0.417 19108 14708 1 17 . 1 1 45 45 SER H H 45 8.590 8.590 8.702 -0.112 19108 14709 1 17 . 1 1 46 46 VAL N N 46 125.827 125.827 126.894 -1.067 19108 14710 1 17 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.394 -0.101 19108 14711 1 17 . 1 1 46 46 VAL CA C 46 61.843 61.843 59.551 2.292 19108 14712 1 17 . 1 1 46 46 VAL CB C 46 33.517 33.517 34.995 -1.478 19108 14713 1 17 . 1 1 46 46 VAL H H 46 9.034 9.034 8.569 0.465 19108 14714 1 17 . 1 1 47 47 LYS N N 47 126.528 126.528 127.364 -0.836 19108 14715 1 17 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.862 -0.577 19108 14716 1 17 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.172 2.493 19108 14717 1 17 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.471 -0.679 19108 14718 1 17 . 1 1 47 47 LYS H H 47 8.738 8.738 8.310 0.428 19108 14719 1 17 . 1 1 48 48 MET N N 48 122.645 122.645 123.519 -0.874 19108 14720 1 17 . 1 1 48 48 MET HA H 48 5.195 5.195 4.633 0.562 19108 14721 1 17 . 1 1 48 48 MET CA C 48 54.747 54.747 55.669 -0.922 19108 14722 1 17 . 1 1 48 48 MET CB C 48 32.379 32.379 34.351 -1.972 19108 14723 1 17 . 1 1 48 48 MET H H 48 8.334 8.334 8.196 0.138 19108 14724 1 17 . 1 1 49 49 ASP N N 49 123.713 123.713 120.682 3.031 19108 14725 1 17 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.518 -0.094 19108 14726 1 17 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.552 0.058 19108 14727 1 17 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.372 -0.338 19108 14728 1 17 . 1 1 49 49 ASP H H 49 8.575 8.575 8.468 0.107 19108 14729 1 17 . 1 1 50 50 GLN N N 50 117.540 117.540 119.399 -1.859 19108 14730 1 17 . 1 1 50 50 GLN H H 50 9.110 9.110 8.506 0.604 19108 14731 1 17 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.665 0.486 19108 14732 1 17 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.430 -1.596 19108 14733 1 17 . 1 1 51 51 HIS H H 51 8.031 8.031 8.411 -0.380 19108 14734 1 17 . 1 1 52 52 ARG N N 52 117.888 117.888 120.512 -2.624 19108 14735 1 17 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.489 0.748 19108 14736 1 17 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.946 0.109 19108 14737 1 17 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.108 0.946 19108 14738 1 17 . 1 1 52 52 ARG H H 52 7.685 7.685 7.400 0.285 19108 14739 1 17 . 1 1 53 53 GLY N N 53 108.573 108.573 105.313 3.260 19108 14740 1 17 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.989 0.719 19108 14741 1 17 . 1 1 53 53 GLY H H 53 7.529 7.529 7.064 0.465 19108 14742 1 17 . 1 1 54 54 PHE N N 54 113.146 113.146 115.652 -2.506 19108 14743 1 17 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.756 0.239 19108 14744 1 17 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.417 -0.561 19108 14745 1 17 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.091 2.272 19108 14746 1 17 . 1 1 54 54 PHE H H 54 8.287 8.287 7.583 0.704 19108 14747 1 17 . 1 1 55 55 LEU N N 55 119.389 119.389 120.039 -0.650 19108 14748 1 17 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.758 -0.063 19108 14749 1 17 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.472 0.240 19108 14750 1 17 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.105 0.523 19108 14751 1 17 . 1 1 55 55 LEU H H 55 9.452 9.452 8.884 0.568 19108 14752 1 17 . 1 1 56 56 HIS N N 56 114.176 114.176 115.677 -1.501 19108 14753 1 17 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.019 0.420 19108 14754 1 17 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.741 0.724 19108 14755 1 17 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.433 0.034 19108 14756 1 17 . 1 1 56 56 HIS H H 56 7.709 7.709 8.667 -0.958 19108 14757 1 17 . 1 1 57 57 ASN N N 57 116.522 116.522 119.221 -2.699 19108 14758 1 17 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.283 0.132 19108 14759 1 17 . 1 1 57 57 ASN CA C 57 54.184 54.184 55.228 -1.044 19108 14760 1 17 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.125 -0.463 19108 14761 1 17 . 1 1 57 57 ASN H H 57 8.684 8.684 7.824 0.860 19108 14762 1 17 . 1 1 58 58 GLN N N 58 122.850 122.850 116.082 6.768 19108 14763 1 17 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.941 0.448 19108 14764 1 17 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.933 -2.080 19108 14765 1 17 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.510 1.872 19108 14766 1 17 . 1 1 58 58 GLN H H 58 9.099 9.099 8.065 1.034 19108 14767 1 17 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.278 0.022 19108 14768 1 17 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.248 0.256 19108 14769 1 17 . 1 1 59 59 ALA CB C 59 19.421 19.421 20.104 -0.683 19108 14770 1 17 . 1 1 60 60 LYS N N 60 119.998 119.998 121.315 -1.317 19108 14771 1 17 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.950 -0.174 19108 14772 1 17 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.148 -0.847 19108 14773 1 17 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.306 0.510 19108 14774 1 17 . 1 1 60 60 LYS H H 60 8.344 8.344 8.460 -0.116 19108 14775 1 17 . 1 1 61 61 ASN N N 61 119.688 119.688 112.588 7.100 19108 14776 1 17 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.507 -0.052 19108 14777 1 17 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.776 -0.872 19108 14778 1 17 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.508 1.029 19108 14779 1 17 . 1 1 61 61 ASN H H 61 8.643 8.643 8.476 0.167 19108 14780 1 17 . 1 1 62 62 LEU N N 62 124.761 124.761 119.004 5.757 19108 14781 1 17 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.210 -0.276 19108 14782 1 17 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.529 -0.284 19108 14783 1 17 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.923 -0.980 19108 14784 1 17 . 1 1 62 62 LEU H H 62 8.873 8.873 8.186 0.687 19108 14785 1 17 . 1 1 63 63 LEU N N 63 120.312 120.312 118.745 1.567 19108 14786 1 17 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.242 -0.043 19108 14787 1 17 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.130 -0.053 19108 14788 1 17 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.829 -0.572 19108 14789 1 17 . 1 1 63 63 LEU H H 63 8.145 8.145 7.851 0.294 19108 14790 1 17 . 1 1 64 64 CYS N N 64 113.898 113.898 117.015 -3.117 19108 14791 1 17 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.254 -0.083 19108 14792 1 17 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.163 -2.379 19108 14793 1 17 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.600 1.118 19108 14794 1 17 . 1 1 64 64 CYS H H 64 7.376 7.376 7.997 -0.621 19108 14795 1 17 . 1 1 65 65 GLY N N 65 108.894 108.894 108.043 0.851 19108 14796 1 17 . 1 1 65 65 GLY CA C 65 45.983 45.983 46.256 -0.273 19108 14797 1 17 . 1 1 65 65 GLY H H 65 7.789 7.789 7.645 0.144 19108 14798 1 17 . 1 1 66 66 PHE N N 66 118.711 118.711 118.981 -0.270 19108 14799 1 17 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.180 -0.263 19108 14800 1 17 . 1 1 66 66 PHE CA C 66 55.940 55.940 59.647 -3.707 19108 14801 1 17 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.327 0.941 19108 14802 1 17 . 1 1 66 66 PHE H H 66 7.699 7.699 7.797 -0.098 19108 14803 1 17 . 1 1 67 67 TYR N N 67 124.623 124.623 118.308 6.315 19108 14804 1 17 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.432 -0.132 19108 14805 1 17 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.286 0.478 19108 14806 1 17 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.574 -0.421 19108 14807 1 17 . 1 1 67 67 TYR H H 67 8.568 8.568 7.744 0.824 19108 14808 1 17 . 1 1 69 69 ARG N N 69 121.427 121.427 119.500 1.927 19108 14809 1 17 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.825 2.232 19108 14810 1 17 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.397 -1.101 19108 14811 1 17 . 1 1 69 69 ARG H H 69 8.313 8.313 7.964 0.349 19108 14812 1 17 . 1 1 70 70 HIS N N 70 128.351 128.351 122.668 5.683 19108 14813 1 17 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.700 0.082 19108 14814 1 17 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.610 1.106 19108 14815 1 17 . 1 1 70 70 HIS CB C 70 31.776 31.776 32.107 -0.331 19108 14816 1 17 . 1 1 70 70 HIS H H 70 9.182 9.182 8.754 0.428 19108 14817 1 17 . 1 1 71 71 ALA N N 71 125.649 125.649 129.578 -3.929 19108 14818 1 17 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.964 -0.607 19108 14819 1 17 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.853 0.929 19108 14820 1 17 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.911 -0.901 19108 14821 1 17 . 1 1 71 71 ALA H H 71 8.968 8.968 8.845 0.123 19108 14822 1 17 . 1 1 72 72 GLU N N 72 119.941 119.941 118.455 1.486 19108 14823 1 17 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.690 -0.713 19108 14824 1 17 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.221 1.735 19108 14825 1 17 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.939 -0.933 19108 14826 1 17 . 1 1 72 72 GLU H H 72 12.692 12.692 8.584 4.108 19108 14827 1 17 . 1 1 73 73 LEU N N 73 114.882 114.882 120.244 -5.362 19108 14828 1 17 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.057 -0.472 19108 14829 1 17 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.199 -1.538 19108 14830 1 17 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.579 -2.334 19108 14831 1 17 . 1 1 73 73 LEU H H 73 6.637 6.637 7.884 -1.247 19108 14832 1 17 . 1 1 74 74 ARG N N 74 117.799 117.799 117.580 0.219 19108 14833 1 17 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.712 0.330 19108 14834 1 17 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.790 -0.615 19108 14835 1 17 . 1 1 74 74 ARG H H 74 7.556 7.556 7.467 0.089 19108 14836 1 17 . 1 1 75 75 PHE N N 75 119.783 119.783 119.754 0.029 19108 14837 1 17 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.219 -0.658 19108 14838 1 17 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.868 1.806 19108 14839 1 17 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.059 -1.022 19108 14840 1 17 . 1 1 75 75 PHE H H 75 8.233 8.233 7.874 0.359 19108 14841 1 17 . 1 1 76 76 LEU N N 76 119.526 119.526 120.083 -0.557 19108 14842 1 17 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.470 0.088 19108 14843 1 17 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.217 0.822 19108 14844 1 17 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.839 -2.822 19108 14845 1 17 . 1 1 76 76 LEU H H 76 7.629 7.629 8.175 -0.546 19108 14846 1 17 . 1 1 77 77 ASP N N 77 118.215 118.215 120.339 -2.124 19108 14847 1 17 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.396 -0.238 19108 14848 1 17 . 1 1 77 77 ASP CA C 77 56.400 56.400 57.314 -0.914 19108 14849 1 17 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.294 -0.926 19108 14850 1 17 . 1 1 77 77 ASP H H 77 8.190 8.190 8.183 0.007 19108 14851 1 17 . 1 1 78 78 LEU N N 78 117.496 117.496 112.641 4.855 19108 14852 1 17 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.658 -0.368 19108 14853 1 17 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.870 0.115 19108 14854 1 17 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.819 0.582 19108 14855 1 17 . 1 1 78 78 LEU H H 78 7.252 7.252 7.269 -0.017 19108 14856 1 17 . 1 1 79 79 VAL N N 79 120.915 120.915 122.575 -1.660 19108 14857 1 17 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.521 -0.298 19108 14858 1 17 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.252 0.276 19108 14859 1 17 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.791 0.329 19108 14860 1 17 . 1 1 79 79 VAL H H 79 7.179 7.179 7.133 0.046 19108 14861 1 17 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.510 -0.535 19108 14862 1 17 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.343 1.444 19108 14863 1 17 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.936 -1.128 19108 14864 1 17 . 1 1 81 81 SER N N 81 112.727 112.727 115.362 -2.635 19108 14865 1 17 . 1 1 81 81 SER HA H 81 4.314 4.314 4.278 0.036 19108 14866 1 17 . 1 1 81 81 SER CA C 81 60.618 60.618 60.853 -0.235 19108 14867 1 17 . 1 1 81 81 SER CB C 81 63.450 63.450 62.485 0.965 19108 14868 1 17 . 1 1 81 81 SER H H 81 7.828 7.828 7.578 0.250 19108 14869 1 17 . 1 1 82 82 LEU N N 82 120.918 120.918 120.676 0.242 19108 14870 1 17 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.319 -0.445 19108 14871 1 17 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.499 -0.007 19108 14872 1 17 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.638 -2.427 19108 14873 1 17 . 1 1 82 82 LEU H H 82 7.912 7.912 7.259 0.653 19108 14874 1 17 . 1 1 83 83 GLN N N 83 111.397 111.397 116.240 -4.843 19108 14875 1 17 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.982 -0.174 19108 14876 1 17 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.030 0.136 19108 14877 1 17 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.867 -0.199 19108 14878 1 17 . 1 1 83 83 GLN H H 83 7.458 7.458 7.644 -0.186 19108 14879 1 17 . 1 1 84 84 LEU N N 84 118.520 118.520 119.889 -1.369 19108 14880 1 17 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.165 -0.446 19108 14881 1 17 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.018 -1.276 19108 14882 1 17 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.844 -3.599 19108 14883 1 17 . 1 1 84 84 LEU H H 84 8.736 8.736 8.067 0.669 19108 14884 1 17 . 1 1 85 85 ASP N N 85 126.187 126.187 121.136 5.051 19108 14885 1 17 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.791 0.092 19108 14886 1 17 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.521 -0.175 19108 14887 1 17 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.725 1.223 19108 14888 1 17 . 1 1 85 85 ASP H H 85 8.415 8.415 8.024 0.391 19108 14889 1 17 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.632 0.296 19108 14890 1 17 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.365 0.273 19108 14891 1 17 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.028 -0.742 19108 14892 1 17 . 1 1 87 87 ALA N N 87 121.030 121.030 121.934 -0.904 19108 14893 1 17 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.054 0.364 19108 14894 1 17 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.836 -1.664 19108 14895 1 17 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.649 0.699 19108 14896 1 17 . 1 1 87 87 ALA H H 87 8.504 8.504 7.695 0.809 19108 14897 1 17 . 1 1 88 88 GLN N N 88 119.601 119.601 118.368 1.233 19108 14898 1 17 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.378 0.144 19108 14899 1 17 . 1 1 88 88 GLN CA C 88 53.434 53.434 55.141 -1.707 19108 14900 1 17 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.311 -0.261 19108 14901 1 17 . 1 1 88 88 GLN H H 88 8.125 8.125 8.370 -0.245 19108 14902 1 17 . 1 1 89 89 ILE N N 89 118.195 118.195 119.655 -1.460 19108 14903 1 17 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.739 0.230 19108 14904 1 17 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.298 -0.757 19108 14905 1 17 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.266 -0.014 19108 14906 1 17 . 1 1 89 89 ILE H H 89 8.099 8.099 8.130 -0.031 19108 14907 1 17 . 1 1 90 90 TYR N N 90 122.421 122.421 121.996 0.425 19108 14908 1 17 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.141 0.220 19108 14909 1 17 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.944 -0.904 19108 14910 1 17 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.249 -0.423 19108 14911 1 17 . 1 1 90 90 TYR H H 90 8.892 8.892 8.517 0.375 19108 14912 1 17 . 1 1 91 91 ARG N N 91 121.043 121.043 122.574 -1.531 19108 14913 1 17 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.839 0.404 19108 14914 1 17 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.179 -0.644 19108 14915 1 17 . 1 1 91 91 ARG CB C 91 33.132 33.132 31.717 1.415 19108 14916 1 17 . 1 1 91 91 ARG H H 91 9.327 9.327 9.071 0.256 19108 14917 1 17 . 1 1 92 92 VAL N N 92 132.287 132.287 127.715 4.572 19108 14918 1 17 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.001 -0.077 19108 14919 1 17 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.842 -0.937 19108 14920 1 17 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.838 0.015 19108 14921 1 17 . 1 1 92 92 VAL H H 92 9.668 9.668 8.586 1.082 19108 14922 1 17 . 1 1 93 93 THR N N 93 124.468 124.468 124.949 -0.481 19108 14923 1 17 . 1 1 93 93 THR HA H 93 5.264 5.264 4.645 0.619 19108 14924 1 17 . 1 1 93 93 THR CA C 93 61.616 61.616 62.547 -0.931 19108 14925 1 17 . 1 1 93 93 THR CB C 93 70.082 70.082 70.224 -0.142 19108 14926 1 17 . 1 1 93 93 THR H H 93 9.381 9.381 8.844 0.537 19108 14927 1 17 . 1 1 94 94 TRP N N 94 124.491 124.491 128.232 -3.741 19108 14928 1 17 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.031 0.635 19108 14929 1 17 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.478 -2.273 19108 14930 1 17 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.737 2.931 19108 14931 1 17 . 1 1 94 94 TRP H H 94 9.071 9.071 9.115 -0.044 19108 14932 1 17 . 1 1 95 95 PHE N N 95 122.179 122.179 122.808 -0.629 19108 14933 1 17 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.011 0.659 19108 14934 1 17 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.115 -0.341 19108 14935 1 17 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.194 -0.745 19108 14936 1 17 . 1 1 95 95 PHE H H 95 9.578 9.578 8.819 0.759 19108 14937 1 17 . 1 1 96 96 ILE N N 96 125.072 125.072 122.555 2.517 19108 14938 1 17 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.241 0.732 19108 14939 1 17 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.858 -1.431 19108 14940 1 17 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.571 4.502 19108 14941 1 17 . 1 1 96 96 ILE H H 96 9.816 9.816 8.721 1.095 19108 14942 1 17 . 1 1 97 97 SER N N 97 124.020 124.020 118.235 5.785 19108 14943 1 17 . 1 1 97 97 SER HA H 97 3.623 3.623 4.682 -1.059 19108 14944 1 17 . 1 1 97 97 SER CA C 97 61.750 61.750 60.080 1.670 19108 14945 1 17 . 1 1 97 97 SER CB C 97 63.711 63.711 63.829 -0.118 19108 14946 1 17 . 1 1 97 97 SER H H 97 9.156 9.156 8.422 0.734 19108 14947 1 17 . 1 1 98 98 TRP N N 98 114.829 114.829 121.453 -6.624 19108 14948 1 17 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.202 0.137 19108 14949 1 17 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.188 -2.518 19108 14950 1 17 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.268 2.483 19108 14951 1 17 . 1 1 98 98 TRP H H 98 6.619 6.619 7.625 -1.006 19108 14952 1 17 . 1 1 99 99 SER N N 99 115.444 115.444 118.145 -2.701 19108 14953 1 17 . 1 1 99 99 SER CA C 99 58.045 58.045 56.521 1.524 19108 14954 1 17 . 1 1 99 99 SER CB C 99 61.927 61.927 64.644 -2.717 19108 14955 1 17 . 1 1 99 99 SER H H 99 8.590 8.590 8.561 0.029 19108 14956 1 17 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.612 -0.687 19108 14957 1 17 . 1 1 100 100 PRO CB C 100 34.796 34.796 33.112 1.684 19108 14958 1 17 . 1 1 101 101 CYS N N 101 121.768 121.768 115.078 6.690 19108 14959 1 17 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.392 1.267 19108 14960 1 17 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.429 1.760 19108 14961 1 17 . 1 1 101 101 CYS H H 101 8.686 8.686 8.459 0.227 19108 14962 1 17 . 1 1 102 102 PHE N N 102 115.031 115.031 122.703 -7.672 19108 14963 1 17 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.307 2.653 19108 14964 1 17 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.933 1.224 19108 14965 1 17 . 1 1 102 102 PHE H H 102 9.318 9.318 8.437 0.881 19108 14966 1 17 . 1 1 103 103 SER N N 103 119.552 119.552 123.770 -4.218 19108 14967 1 17 . 1 1 103 103 SER HA H 103 3.713 3.713 4.126 -0.413 19108 14968 1 17 . 1 1 103 103 SER CA C 103 63.368 63.368 62.000 1.368 19108 14969 1 17 . 1 1 103 103 SER CB C 103 60.539 60.539 62.937 -2.398 19108 14970 1 17 . 1 1 103 103 SER H H 103 10.858 10.858 8.940 1.918 19108 14971 1 17 . 1 1 104 104 TRP N N 104 117.909 117.909 121.057 -3.148 19108 14972 1 17 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.780 -1.004 19108 14973 1 17 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.780 0.434 19108 14974 1 17 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.079 -1.194 19108 14975 1 17 . 1 1 104 104 TRP H H 104 7.880 7.880 8.458 -0.578 19108 14976 1 17 . 1 1 105 105 GLY N N 105 106.359 106.359 108.746 -2.387 19108 14977 1 17 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.918 -0.837 19108 14978 1 17 . 1 1 105 105 GLY H H 105 7.468 7.468 8.876 -1.408 19108 14979 1 17 . 1 1 106 106 CYS N N 106 120.359 120.359 121.092 -0.733 19108 14980 1 17 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.478 -0.619 19108 14981 1 17 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.933 4.169 19108 14982 1 17 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.425 2.293 19108 14983 1 17 . 1 1 106 106 CYS H H 106 7.366 7.366 8.077 -0.711 19108 14984 1 17 . 1 1 107 107 ALA N N 107 119.725 119.725 122.358 -2.633 19108 14985 1 17 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.007 -0.142 19108 14986 1 17 . 1 1 107 107 ALA CA C 107 56.934 56.934 54.801 2.132 19108 14987 1 17 . 1 1 107 107 ALA CB C 107 18.443 18.443 17.985 0.458 19108 14988 1 17 . 1 1 107 107 ALA H H 107 8.719 8.719 8.679 0.040 19108 14989 1 17 . 1 1 108 108 GLY N N 108 103.829 103.829 107.106 -3.277 19108 14990 1 17 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.299 -0.405 19108 14991 1 17 . 1 1 108 108 GLY H H 108 8.555 8.555 8.566 -0.011 19108 14992 1 17 . 1 1 109 109 GLU N N 109 123.162 123.162 121.267 1.895 19108 14993 1 17 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.256 0.010 19108 14994 1 17 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.776 0.516 19108 14995 1 17 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.508 0.874 19108 14996 1 17 . 1 1 109 109 GLU H H 109 8.023 8.023 7.779 0.244 19108 14997 1 17 . 1 1 110 110 VAL N N 110 121.866 121.866 120.334 1.532 19108 14998 1 17 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.837 -0.138 19108 14999 1 17 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.570 1.473 19108 15000 1 17 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.494 -0.488 19108 15001 1 17 . 1 1 110 110 VAL H H 110 8.942 8.942 7.635 1.307 19108 15002 1 17 . 1 1 111 111 ARG N N 111 120.587 120.587 119.690 0.897 19108 15003 1 17 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.892 -0.106 19108 15004 1 17 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.286 0.795 19108 15005 1 17 . 1 1 111 111 ARG CB C 111 29.175 29.175 28.948 0.227 19108 15006 1 17 . 1 1 111 111 ARG H H 111 8.653 8.653 8.594 0.059 19108 15007 1 17 . 1 1 112 112 ALA N N 112 120.687 120.687 122.264 -1.577 19108 15008 1 17 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.171 -0.037 19108 15009 1 17 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.460 0.958 19108 15010 1 17 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.310 -0.319 19108 15011 1 17 . 1 1 112 112 ALA H H 112 7.875 7.875 7.905 -0.030 19108 15012 1 17 . 1 1 113 113 PHE N N 113 118.950 118.950 119.676 -0.726 19108 15013 1 17 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.174 0.163 19108 15014 1 17 . 1 1 113 113 PHE CA C 113 61.376 61.376 60.843 0.533 19108 15015 1 17 . 1 1 113 113 PHE CB C 113 39.387 39.387 38.983 0.404 19108 15016 1 17 . 1 1 113 113 PHE H H 113 8.139 8.139 7.764 0.375 19108 15017 1 17 . 1 1 114 114 LEU N N 114 120.595 120.595 120.620 -0.025 19108 15018 1 17 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.898 -0.098 19108 15019 1 17 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.019 -0.886 19108 15020 1 17 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.636 -0.727 19108 15021 1 17 . 1 1 114 114 LEU H H 114 8.639 8.639 7.725 0.914 19108 15022 1 17 . 1 1 115 115 GLN N N 115 117.666 117.666 117.421 0.245 19108 15023 1 17 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.924 0.099 19108 15024 1 17 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.613 -0.227 19108 15025 1 17 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.401 0.137 19108 15026 1 17 . 1 1 115 115 GLN H H 115 8.167 8.167 7.790 0.377 19108 15027 1 17 . 1 1 116 116 GLU N N 116 115.380 115.380 117.753 -2.373 19108 15028 1 17 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.288 0.034 19108 15029 1 17 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.996 0.066 19108 15030 1 17 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.320 -0.605 19108 15031 1 17 . 1 1 116 116 GLU H H 116 7.448 7.448 7.629 -0.181 19108 15032 1 17 . 1 1 117 117 ASN N N 117 119.831 119.831 117.893 1.938 19108 15033 1 17 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.968 0.097 19108 15034 1 17 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.297 -0.112 19108 15035 1 17 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.511 -0.265 19108 15036 1 17 . 1 1 117 117 ASN H H 117 7.632 7.632 8.041 -0.409 19108 15037 1 17 . 1 1 118 118 THR N N 118 111.041 111.041 114.108 -3.067 19108 15038 1 17 . 1 1 118 118 THR HA H 118 4.317 4.317 4.072 0.245 19108 15039 1 17 . 1 1 118 118 THR CA C 118 64.081 64.081 63.363 0.718 19108 15040 1 17 . 1 1 118 118 THR CB C 118 68.767 68.767 68.560 0.207 19108 15041 1 17 . 1 1 118 118 THR H H 118 8.054 8.054 7.738 0.316 19108 15042 1 17 . 1 1 119 119 HIS N N 119 120.403 120.403 116.694 3.709 19108 15043 1 17 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.527 -0.238 19108 15044 1 17 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.667 0.934 19108 15045 1 17 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.721 1.599 19108 15046 1 17 . 1 1 119 119 HIS H H 119 9.248 9.248 8.117 1.131 19108 15047 1 17 . 1 1 120 120 VAL N N 120 120.001 120.001 114.240 5.761 19108 15048 1 17 . 1 1 120 120 VAL HA H 120 4.526 4.526 5.164 -0.638 19108 15049 1 17 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.053 2.837 19108 15050 1 17 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.486 -1.490 19108 15051 1 17 . 1 1 120 120 VAL H H 120 7.379 7.379 7.135 0.244 19108 15052 1 17 . 1 1 121 121 ARG N N 121 125.312 125.312 122.772 2.540 19108 15053 1 17 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.510 0.300 19108 15054 1 17 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.850 -1.783 19108 15055 1 17 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.236 -1.656 19108 15056 1 17 . 1 1 121 121 ARG H H 121 8.775 8.775 8.540 0.235 19108 15057 1 17 . 1 1 122 122 LEU N N 122 125.483 125.483 124.669 0.814 19108 15058 1 17 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.757 0.403 19108 15059 1 17 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.729 -0.428 19108 15060 1 17 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.090 2.583 19108 15061 1 17 . 1 1 122 122 LEU H H 122 9.345 9.345 8.559 0.786 19108 15062 1 17 . 1 1 123 123 ARG N N 123 127.748 127.748 125.085 2.663 19108 15063 1 17 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.356 0.380 19108 15064 1 17 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.243 -0.076 19108 15065 1 17 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.296 0.516 19108 15066 1 17 . 1 1 123 123 ARG H H 123 9.053 9.053 8.107 0.946 19108 15067 1 17 . 1 1 124 124 ILE N N 124 123.665 123.665 123.983 -0.318 19108 15068 1 17 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.192 0.250 19108 15069 1 17 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.548 2.211 19108 15070 1 17 . 1 1 124 124 ILE CB C 124 41.893 41.893 37.839 4.054 19108 15071 1 17 . 1 1 124 124 ILE H H 124 9.019 9.019 8.159 0.860 19108 15072 1 17 . 1 1 125 125 PHE N N 125 126.320 126.320 127.025 -0.705 19108 15073 1 17 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.351 -0.186 19108 15074 1 17 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.474 0.440 19108 15075 1 17 . 1 1 125 125 PHE CB C 125 40.819 40.819 39.761 1.058 19108 15076 1 17 . 1 1 125 125 PHE H H 125 9.359 9.359 8.117 1.242 19108 15077 1 17 . 1 1 126 126 ALA N N 126 124.526 124.526 127.581 -3.055 19108 15078 1 17 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.027 0.789 19108 15079 1 17 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.798 -1.928 19108 15080 1 17 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.061 1.273 19108 15081 1 17 . 1 1 126 126 ALA H H 126 9.091 9.091 8.395 0.696 19108 15082 1 17 . 1 1 127 127 ALA N N 127 126.272 126.272 128.747 -2.475 19108 15083 1 17 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.447 0.304 19108 15084 1 17 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.698 1.770 19108 15085 1 17 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.755 -0.149 19108 15086 1 17 . 1 1 127 127 ALA H H 127 9.049 9.049 9.152 -0.103 19108 15087 1 17 . 1 1 128 128 ARG N N 128 108.570 108.570 117.294 -8.724 19108 15088 1 17 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.472 -0.058 19108 15089 1 17 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.892 3.314 19108 15090 1 17 . 1 1 128 128 ARG H H 128 6.741 6.741 7.970 -1.229 19108 15091 1 17 . 1 1 129 129 ILE N N 129 121.285 121.285 123.073 -1.788 19108 15092 1 17 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.166 0.125 19108 15093 1 17 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.491 0.376 19108 15094 1 17 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.713 0.116 19108 15095 1 17 . 1 1 129 129 ILE H H 129 8.340 8.340 8.179 0.161 19108 15096 1 17 . 1 1 130 130 TYR N N 130 130.143 130.143 124.351 5.792 19108 15097 1 17 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.241 1.094 19108 15098 1 17 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.677 -0.751 19108 15099 1 17 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.661 -2.498 19108 15100 1 17 . 1 1 130 130 TYR H H 130 8.870 8.870 8.183 0.687 19108 15101 1 17 . 1 1 131 131 ASP N N 131 123.662 123.662 121.767 1.895 19108 15102 1 17 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.060 -1.393 19108 15103 1 17 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.168 1.545 19108 15104 1 17 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.198 -4.297 19108 15105 1 17 . 1 1 131 131 ASP H H 131 8.123 8.123 8.069 0.054 19108 15106 1 17 . 1 1 132 132 TYR N N 132 116.852 116.852 118.856 -2.004 19108 15107 1 17 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.822 -0.907 19108 15108 1 17 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.681 0.786 19108 15109 1 17 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.677 -0.640 19108 15110 1 17 . 1 1 132 132 TYR H H 132 6.448 6.448 8.739 -2.291 19108 15111 1 17 . 1 1 133 133 ASP N N 133 116.930 116.930 118.094 -1.164 19108 15112 1 17 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.704 -1.539 19108 15113 1 17 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.255 1.527 19108 15114 1 17 . 1 1 133 133 ASP H H 133 7.005 7.005 7.973 -0.968 19108 15115 1 17 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.558 -0.455 19108 15116 1 17 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.294 -0.593 19108 15117 1 17 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.105 -0.014 19108 15118 1 17 . 1 1 135 135 LEU N N 135 120.252 120.252 119.487 0.765 19108 15119 1 17 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.879 0.819 19108 15120 1 17 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.108 -2.728 19108 15121 1 17 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.426 -1.682 19108 15122 1 17 . 1 1 135 135 LEU H H 135 8.456 8.456 7.897 0.559 19108 15123 1 17 . 1 1 136 136 TYR N N 136 117.432 117.432 119.269 -1.837 19108 15124 1 17 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.063 -0.002 19108 15125 1 17 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.246 0.812 19108 15126 1 17 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.536 0.044 19108 15127 1 17 . 1 1 136 136 TYR H H 136 8.028 8.028 7.552 0.476 19108 15128 1 17 . 1 1 137 137 LYS N N 137 122.000 122.000 119.433 2.567 19108 15129 1 17 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.445 0.854 19108 15130 1 17 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.682 -0.884 19108 15131 1 17 . 1 1 137 137 LYS H H 137 7.503 7.503 8.212 -0.709 19108 15132 1 17 . 1 1 138 138 GLU N N 138 121.833 121.833 119.290 2.543 19108 15133 1 17 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.061 0.780 19108 15134 1 17 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.438 -1.969 19108 15135 1 17 . 1 1 138 138 GLU H H 138 8.752 8.752 8.116 0.636 19108 15136 1 17 . 1 1 139 139 ALA N N 139 119.592 119.592 122.141 -2.549 19108 15137 1 17 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.047 -0.201 19108 15138 1 17 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.217 -0.077 19108 15139 1 17 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.101 2.154 19108 15140 1 17 . 1 1 139 139 ALA H H 139 7.682 7.682 7.574 0.108 19108 15141 1 17 . 1 1 140 140 LEU N N 140 116.268 116.268 119.349 -3.081 19108 15142 1 17 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.031 0.162 19108 15143 1 17 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.295 -0.200 19108 15144 1 17 . 1 1 140 140 LEU H H 140 7.175 7.175 7.458 -0.283 19108 15145 1 17 . 1 1 141 141 GLN N N 141 117.550 117.550 117.250 0.300 19108 15146 1 17 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.048 -0.329 19108 15147 1 17 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.818 1.234 19108 15148 1 17 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.330 -0.736 19108 15149 1 17 . 1 1 141 141 GLN H H 141 8.322 8.322 7.593 0.729 19108 15150 1 17 . 1 1 142 142 MET N N 142 118.520 118.520 120.026 -1.506 19108 15151 1 17 . 1 1 142 142 MET HA H 142 4.135 4.135 4.127 0.008 19108 15152 1 17 . 1 1 142 142 MET CA C 142 59.051 59.051 58.383 0.668 19108 15153 1 17 . 1 1 142 142 MET CB C 142 33.170 33.170 32.458 0.712 19108 15154 1 17 . 1 1 142 142 MET H H 142 8.241 8.241 8.119 0.122 19108 15155 1 17 . 1 1 143 143 LEU N N 143 118.659 118.659 119.511 -0.852 19108 15156 1 17 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.052 0.240 19108 15157 1 17 . 1 1 143 143 LEU CA C 143 58.115 58.115 58.163 -0.048 19108 15158 1 17 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.757 -0.380 19108 15159 1 17 . 1 1 143 143 LEU H H 143 7.932 7.932 8.410 -0.478 19108 15160 1 17 . 1 1 144 144 ARG N N 144 121.294 121.294 118.348 2.946 19108 15161 1 17 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.965 0.461 19108 15162 1 17 . 1 1 144 144 ARG CA C 144 58.989 58.989 58.456 0.533 19108 15163 1 17 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.305 -1.197 19108 15164 1 17 . 1 1 144 144 ARG H H 144 7.968 7.968 7.694 0.274 19108 15165 1 17 . 1 1 145 145 ASP N N 145 122.553 122.553 120.045 2.508 19108 15166 1 17 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.401 0.028 19108 15167 1 17 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.285 0.293 19108 15168 1 17 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.620 -1.030 19108 15169 1 17 . 1 1 145 145 ASP H H 145 8.868 8.868 7.870 0.998 19108 15170 1 17 . 1 1 146 146 ALA N N 146 120.102 120.102 120.439 -0.337 19108 15171 1 17 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.184 0.234 19108 15172 1 17 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.680 -0.646 19108 15173 1 17 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.066 -0.770 19108 15174 1 17 . 1 1 146 146 ALA H H 146 7.737 7.737 7.466 0.271 19108 15175 1 17 . 1 1 147 147 GLY N N 147 105.039 105.039 105.342 -0.303 19108 15176 1 17 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.621 0.243 19108 15177 1 17 . 1 1 147 147 GLY H H 147 7.966 7.966 7.630 0.336 19108 15178 1 17 . 1 1 148 148 ALA N N 148 124.181 124.181 122.633 1.548 19108 15179 1 17 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.230 0.459 19108 15180 1 17 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.637 -0.178 19108 15181 1 17 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.538 -2.059 19108 15182 1 17 . 1 1 148 148 ALA H H 148 8.051 8.051 7.687 0.364 19108 15183 1 17 . 1 1 149 149 GLN N N 149 122.185 122.185 119.123 3.062 19108 15184 1 17 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.508 -0.069 19108 15185 1 17 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.930 0.025 19108 15186 1 17 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.152 -0.731 19108 15187 1 17 . 1 1 149 149 GLN H H 149 7.953 7.953 7.916 0.037 19108 15188 1 17 . 1 1 150 150 VAL N N 150 127.399 127.399 125.630 1.769 19108 15189 1 17 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.376 0.376 19108 15190 1 17 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.863 -0.424 19108 15191 1 17 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.902 -0.724 19108 15192 1 17 . 1 1 150 150 VAL H H 150 8.658 8.658 8.437 0.221 19108 15193 1 17 . 1 1 151 151 SER N N 151 120.616 120.616 122.471 -1.855 19108 15194 1 17 . 1 1 151 151 SER HA H 151 5.179 5.179 4.802 0.377 19108 15195 1 17 . 1 1 151 151 SER CA C 151 56.981 56.981 57.097 -0.116 19108 15196 1 17 . 1 1 151 151 SER CB C 151 66.538 66.538 66.609 -0.071 19108 15197 1 17 . 1 1 151 151 SER H H 151 8.737 8.737 8.606 0.131 19108 15198 1 17 . 1 1 152 152 ILE N N 152 123.180 123.180 123.202 -0.022 19108 15199 1 17 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.555 0.592 19108 15200 1 17 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.264 -3.746 19108 15201 1 17 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.523 -2.443 19108 15202 1 17 . 1 1 152 152 ILE H H 152 8.672 8.672 8.635 0.037 19108 15203 1 17 . 1 1 153 153 MET N N 153 123.477 123.477 129.099 -5.622 19108 15204 1 17 . 1 1 153 153 MET HA H 153 3.886 3.886 4.590 -0.704 19108 15205 1 17 . 1 1 153 153 MET CA C 153 59.053 59.053 56.710 2.343 19108 15206 1 17 . 1 1 153 153 MET CB C 153 34.793 34.793 32.976 1.817 19108 15207 1 17 . 1 1 153 153 MET H H 153 8.314 8.314 8.186 0.128 19108 15208 1 17 . 1 1 154 154 THR N N 154 117.621 117.621 114.723 2.898 19108 15209 1 17 . 1 1 154 154 THR HA H 154 4.951 4.951 4.676 0.275 19108 15210 1 17 . 1 1 154 154 THR CA C 154 60.436 60.436 59.780 0.656 19108 15211 1 17 . 1 1 154 154 THR CB C 154 72.370 72.370 72.086 0.284 19108 15212 1 17 . 1 1 154 154 THR H H 154 9.630 9.630 7.913 1.717 19108 15213 1 17 . 1 1 155 155 TYR N N 155 121.751 121.751 121.264 0.487 19108 15214 1 17 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.111 -0.012 19108 15215 1 17 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.459 2.980 19108 15216 1 17 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.232 1.054 19108 15217 1 17 . 1 1 155 155 TYR H H 155 9.769 9.769 8.653 1.116 19108 15218 1 17 . 1 1 156 156 ASP N N 156 115.555 115.555 117.723 -2.168 19108 15219 1 17 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.833 0.275 19108 15220 1 17 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.049 0.211 19108 15221 1 17 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.338 0.280 19108 15222 1 17 . 1 1 156 156 ASP H H 156 8.230 8.230 8.695 -0.465 19108 15223 1 17 . 1 1 157 157 GLU N N 157 117.678 117.678 119.275 -1.597 19108 15224 1 17 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.981 -0.111 19108 15225 1 17 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.937 1.570 19108 15226 1 17 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.414 1.634 19108 15227 1 17 . 1 1 157 157 GLU H H 157 7.470 7.470 7.498 -0.028 19108 15228 1 17 . 1 1 158 158 PHE N N 158 119.869 119.869 120.081 -0.212 19108 15229 1 17 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.837 -0.008 19108 15230 1 17 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.684 1.092 19108 15231 1 17 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.570 1.337 19108 15232 1 17 . 1 1 158 158 PHE H H 158 8.077 8.077 7.841 0.236 19108 15233 1 17 . 1 1 159 159 LYS N N 159 118.859 118.859 119.170 -0.311 19108 15234 1 17 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.560 0.357 19108 15235 1 17 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.875 -0.644 19108 15236 1 17 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.245 -0.282 19108 15237 1 17 . 1 1 159 159 LYS H H 159 8.273 8.273 7.633 0.640 19108 15238 1 17 . 1 1 160 160 HIS N N 160 115.889 115.889 119.178 -3.289 19108 15239 1 17 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.485 -0.326 19108 15240 1 17 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.860 1.121 19108 15241 1 17 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.649 -1.719 19108 15242 1 17 . 1 1 160 160 HIS H H 160 7.695 7.695 7.625 0.070 19108 15243 1 17 . 1 1 161 161 CYS N N 161 118.188 118.188 118.107 0.081 19108 15244 1 17 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.148 0.641 19108 15245 1 17 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.776 1.018 19108 15246 1 17 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.366 1.520 19108 15247 1 17 . 1 1 161 161 CYS H H 161 7.885 7.885 7.919 -0.034 19108 15248 1 17 . 1 1 162 162 TRP N N 162 122.741 122.741 121.887 0.854 19108 15249 1 17 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.369 0.395 19108 15250 1 17 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.619 0.098 19108 15251 1 17 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.185 -0.592 19108 15252 1 17 . 1 1 162 162 TRP H H 162 8.040 8.040 7.758 0.282 19108 15253 1 17 . 1 1 163 163 ASP N N 163 113.796 113.796 117.029 -3.233 19108 15254 1 17 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.138 0.988 19108 15255 1 17 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.177 1.752 19108 15256 1 17 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.063 1.472 19108 15257 1 17 . 1 1 163 163 ASP H H 163 8.319 8.319 7.852 0.467 19108 15258 1 17 . 1 1 164 164 THR N N 164 112.008 112.008 114.207 -2.199 19108 15259 1 17 . 1 1 164 164 THR HA H 164 3.803 3.803 4.074 -0.271 19108 15260 1 17 . 1 1 164 164 THR CA C 164 65.164 65.164 63.685 1.479 19108 15261 1 17 . 1 1 164 164 THR CB C 164 70.171 70.171 68.991 1.180 19108 15262 1 17 . 1 1 164 164 THR H H 164 7.494 7.494 7.706 -0.212 19108 15263 1 17 . 1 1 165 165 PHE N N 165 115.079 115.079 117.405 -2.326 19108 15264 1 17 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.536 -0.001 19108 15265 1 17 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.708 0.261 19108 15266 1 17 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.730 -0.362 19108 15267 1 17 . 1 1 165 165 PHE H H 165 8.235 8.235 7.268 0.967 19108 15268 1 17 . 1 1 166 166 VAL N N 166 118.432 118.432 119.554 -1.122 19108 15269 1 17 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.387 -0.362 19108 15270 1 17 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.542 1.459 19108 15271 1 17 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.132 -2.777 19108 15272 1 17 . 1 1 166 166 VAL H H 166 6.838 6.838 7.233 -0.395 19108 15273 1 17 . 1 1 167 167 ASP N N 167 126.263 126.263 127.983 -1.720 19108 15274 1 17 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.531 -0.683 19108 15275 1 17 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.762 -2.132 19108 15276 1 17 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.797 -0.717 19108 15277 1 17 . 1 1 167 167 ASP H H 167 8.498 8.498 8.589 -0.091 19108 15278 1 17 . 1 1 168 168 HIS N N 168 119.890 119.890 117.052 2.838 19108 15279 1 17 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.168 0.178 19108 15280 1 17 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.025 -1.450 19108 15281 1 17 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.003 3.459 19108 15282 1 17 . 1 1 168 168 HIS H H 168 6.977 6.977 8.232 -1.255 19108 15283 1 17 . 1 1 169 169 GLN N N 169 119.254 119.254 117.163 2.091 19108 15284 1 17 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.554 0.169 19108 15285 1 17 . 1 1 169 169 GLN CA C 169 56.770 56.770 55.943 0.827 19108 15286 1 17 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.605 -0.084 19108 15287 1 17 . 1 1 169 169 GLN H H 169 9.126 9.126 7.632 1.494 19108 15288 1 17 . 1 1 170 170 GLY N N 170 111.911 111.911 101.877 10.034 19108 15289 1 17 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.672 0.152 19108 15290 1 17 . 1 1 170 170 GLY H H 170 11.556 11.556 8.275 3.281 19108 15291 1 17 . 1 1 171 171 CYS N N 171 123.390 123.390 120.418 2.972 19108 15292 1 17 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.964 -0.248 19108 15293 1 17 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.732 2.053 19108 15294 1 17 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.618 -0.714 19108 15295 1 17 . 1 1 171 171 CYS H H 171 8.044 8.044 8.104 -0.060 19108 15296 1 17 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.478 0.140 19108 15297 1 17 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.953 -1.095 19108 15298 1 17 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.217 0.312 19108 15299 1 17 . 1 1 173 173 PHE N N 173 121.101 121.101 121.735 -0.634 19108 15300 1 17 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.675 -0.019 19108 15301 1 17 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.668 -1.127 19108 15302 1 17 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.816 -1.070 19108 15303 1 17 . 1 1 173 173 PHE H H 173 8.842 8.842 8.419 0.423 19108 15304 1 17 . 1 1 174 174 GLN N N 174 129.493 129.493 123.783 5.710 19108 15305 1 17 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.223 0.094 19108 15306 1 17 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.732 -0.937 19108 15307 1 17 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.891 0.206 19108 15308 1 17 . 1 1 174 174 GLN H H 174 7.250 7.250 6.783 0.467 19108 15309 1 17 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.836 -0.922 19108 15310 1 17 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.288 0.135 19108 15311 1 17 . 1 1 176 176 TRP N N 176 118.133 118.133 123.242 -5.109 19108 15312 1 17 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.836 -0.203 19108 15313 1 17 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.981 0.181 19108 15314 1 17 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.652 -0.763 19108 15315 1 17 . 1 1 176 176 TRP H H 176 5.591 5.591 7.014 -1.423 19108 15316 1 17 . 1 1 177 177 ASP N N 177 121.814 121.814 120.466 1.348 19108 15317 1 17 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.508 -0.111 19108 15318 1 17 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.426 1.746 19108 15319 1 17 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.931 0.744 19108 15320 1 17 . 1 1 177 177 ASP H H 177 8.848 8.848 8.672 0.176 19108 15321 1 17 . 1 1 178 178 GLY N N 178 111.875 111.875 111.128 0.747 19108 15322 1 17 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.239 0.428 19108 15323 1 17 . 1 1 178 178 GLY H H 178 8.987 8.987 8.013 0.974 19108 15324 1 17 . 1 1 179 179 LEU N N 179 121.470 121.470 123.007 -1.537 19108 15325 1 17 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.062 0.426 19108 15326 1 17 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.756 2.026 19108 15327 1 17 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.636 0.593 19108 15328 1 17 . 1 1 179 179 LEU H H 179 7.148 7.148 7.599 -0.451 19108 15329 1 17 . 1 1 180 180 ASP N N 180 119.476 119.476 118.991 0.485 19108 15330 1 17 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.354 0.138 19108 15331 1 17 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.346 0.593 19108 15332 1 17 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.749 0.964 19108 15333 1 17 . 1 1 180 180 ASP H H 180 8.874 8.874 8.652 0.222 19108 15334 1 17 . 1 1 181 181 GLU N N 181 122.379 122.379 120.143 2.236 19108 15335 1 17 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.044 -0.032 19108 15336 1 17 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.410 0.559 19108 15337 1 17 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.538 -0.612 19108 15338 1 17 . 1 1 181 181 GLU H H 181 8.712 8.712 8.481 0.231 19108 15339 1 17 . 1 1 182 182 HIS N N 182 118.572 118.572 118.495 0.077 19108 15340 1 17 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.352 0.402 19108 15341 1 17 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.871 -0.842 19108 15342 1 17 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.890 -1.042 19108 15343 1 17 . 1 1 182 182 HIS H H 182 8.854 8.854 8.680 0.174 19108 15344 1 17 . 1 1 183 183 SER N N 183 116.329 116.329 115.098 1.231 19108 15345 1 17 . 1 1 183 183 SER HA H 183 4.554 4.554 4.111 0.443 19108 15346 1 17 . 1 1 183 183 SER CA C 183 63.604 63.604 62.008 1.596 19108 15347 1 17 . 1 1 183 183 SER CB C 183 65.216 65.216 62.793 2.423 19108 15348 1 17 . 1 1 183 183 SER H H 183 8.665 8.665 8.655 0.010 19108 15349 1 17 . 1 1 184 184 GLN N N 184 122.215 122.215 121.890 0.325 19108 15350 1 17 . 1 1 184 184 GLN HA H 184 4.247 4.247 3.973 0.274 19108 15351 1 17 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.782 0.178 19108 15352 1 17 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.767 0.168 19108 15353 1 17 . 1 1 184 184 GLN H H 184 8.714 8.714 7.623 1.091 19108 15354 1 17 . 1 1 185 185 ALA N N 185 124.432 124.432 122.517 1.915 19108 15355 1 17 . 1 1 185 185 ALA HA H 185 4.284 4.284 3.960 0.324 19108 15356 1 17 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.201 0.268 19108 15357 1 17 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.118 0.256 19108 15358 1 17 . 1 1 185 185 ALA H H 185 8.258 8.258 7.702 0.556 19108 15359 1 17 . 1 1 186 186 LEU N N 186 119.941 119.941 118.307 1.634 19108 15360 1 17 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.834 0.378 19108 15361 1 17 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.160 0.056 19108 15362 1 17 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.745 1.019 19108 15363 1 17 . 1 1 186 186 LEU H H 186 8.953 8.953 7.977 0.976 19108 15364 1 17 . 1 1 187 187 SER N N 187 116.987 116.987 114.902 2.085 19108 15365 1 17 . 1 1 187 187 SER HA H 187 4.039 4.039 4.043 -0.004 19108 15366 1 17 . 1 1 187 187 SER CA C 187 63.302 63.302 62.897 0.405 19108 15367 1 17 . 1 1 187 187 SER CB C 187 62.760 62.760 62.883 -0.123 19108 15368 1 17 . 1 1 187 187 SER H H 187 8.935 8.935 8.601 0.334 19108 15369 1 17 . 1 1 188 188 GLY N N 188 110.215 110.215 108.542 1.673 19108 15370 1 17 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.101 0.053 19108 15371 1 17 . 1 1 188 188 GLY H H 188 8.228 8.228 8.818 -0.590 19108 15372 1 17 . 1 1 189 189 ARG N N 189 122.994 122.994 122.864 0.130 19108 15373 1 17 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.051 0.186 19108 15374 1 17 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.856 0.703 19108 15375 1 17 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.730 0.665 19108 15376 1 17 . 1 1 189 189 ARG H H 189 7.838 7.838 7.517 0.321 19108 15377 1 17 . 1 1 190 190 LEU N N 190 119.765 119.765 120.161 -0.396 19108 15378 1 17 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.043 0.195 19108 15379 1 17 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.919 0.300 19108 15380 1 17 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.833 -0.591 19108 15381 1 17 . 1 1 190 190 LEU H H 190 8.791 8.791 7.810 0.981 19108 15382 1 17 . 1 1 191 191 ARG N N 191 118.427 118.427 119.055 -0.628 19108 15383 1 17 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.960 0.083 19108 15384 1 17 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.393 0.389 19108 15385 1 17 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.254 -0.063 19108 15386 1 17 . 1 1 191 191 ARG H H 191 8.305 8.305 8.345 -0.040 19108 15387 1 17 . 1 1 192 192 ALA N N 192 119.414 119.414 122.037 -2.623 19108 15388 1 17 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.097 0.120 19108 15389 1 17 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.906 -0.190 19108 15390 1 17 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.532 -0.367 19108 15391 1 17 . 1 1 192 192 ALA H H 192 7.414 7.414 8.130 -0.716 19108 15392 1 17 . 1 1 193 193 ILE N N 193 118.949 118.949 119.298 -0.349 19108 15393 1 17 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.803 -0.033 19108 15394 1 17 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.099 0.739 19108 15395 1 17 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.302 2.144 19108 15396 1 17 . 1 1 193 193 ILE H H 193 7.896 7.896 7.579 0.317 19108 15397 1 17 . 1 1 194 194 LEU N N 194 116.435 116.435 116.910 -0.475 19108 15398 1 17 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.049 0.224 19108 15399 1 17 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.267 -0.554 19108 15400 1 17 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.568 -1.097 19108 15401 1 17 . 1 1 194 194 LEU H H 194 8.296 8.296 7.871 0.425 19108 15402 1 17 . 1 1 195 195 GLN N N 195 118.580 118.580 114.710 3.870 19108 15403 1 17 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.908 0.427 19108 15404 1 17 . 1 1 195 195 GLN CA C 195 56.417 56.417 57.596 -1.179 19108 15405 1 17 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.022 1.576 19108 15406 1 17 . 1 1 195 195 GLN H H 195 7.921 7.921 7.676 0.245 19108 15407 1 17 . 1 1 196 196 ASN N N 196 118.941 118.941 115.729 3.212 19108 15408 1 17 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.331 0.371 19108 15409 1 17 . 1 1 196 196 ASN CA C 196 53.450 53.450 55.482 -2.032 19108 15410 1 17 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.024 0.801 19108 15411 1 17 . 1 1 196 196 ASN H H 196 8.078 8.078 8.711 -0.633 19108 15412 1 17 . 1 1 197 197 GLN N N 197 120.984 120.984 119.925 1.059 19108 15413 1 17 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.476 -0.120 19108 15414 1 17 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.556 0.610 19108 15415 1 17 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.691 -1.194 19108 15416 1 17 . 1 1 197 197 GLN H H 197 8.526 8.526 8.310 0.216 19108 15417 1 17 . 1 1 198 198 GLY N N 198 109.565 109.565 111.059 -1.494 19108 15418 1 17 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.580 -0.196 19108 15419 1 17 . 1 1 198 198 GLY H H 198 8.467 8.467 8.602 -0.135 19108 15420 1 18 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.091 0.283 19108 15421 1 18 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.364 -0.016 19108 15422 1 18 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.709 0.744 19108 15423 1 18 . 1 1 3 3 ALA N N 3 125.932 125.932 122.554 3.378 19108 15424 1 18 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.244 0.106 19108 15425 1 18 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.059 -0.652 19108 15426 1 18 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.421 0.159 19108 15427 1 18 . 1 1 3 3 ALA H H 3 8.526 8.526 8.127 0.399 19108 15428 1 18 . 1 1 4 4 SER N N 4 116.729 116.729 112.636 4.093 19108 15429 1 18 . 1 1 4 4 SER HA H 4 4.766 4.766 4.576 0.190 19108 15430 1 18 . 1 1 4 4 SER CA C 4 56.283 56.283 57.481 -1.198 19108 15431 1 18 . 1 1 4 4 SER CB C 4 63.278 63.278 63.282 -0.004 19108 15432 1 18 . 1 1 4 4 SER H H 4 8.397 8.397 7.778 0.619 19108 15433 1 18 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.379 0.067 19108 15434 1 18 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.850 -0.544 19108 15435 1 18 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.906 0.191 19108 15436 1 18 . 1 1 6 6 ALA N N 6 124.236 124.236 125.876 -1.640 19108 15437 1 18 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.406 -0.073 19108 15438 1 18 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.694 -0.131 19108 15439 1 18 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.456 -0.121 19108 15440 1 18 . 1 1 6 6 ALA H H 6 8.411 8.411 8.099 0.312 19108 15441 1 18 . 1 1 7 7 SER N N 7 114.497 114.497 118.431 -3.934 19108 15442 1 18 . 1 1 7 7 SER HA H 7 4.475 4.475 4.453 0.022 19108 15443 1 18 . 1 1 7 7 SER CA C 7 58.258 58.258 58.714 -0.456 19108 15444 1 18 . 1 1 7 7 SER CB C 7 64.174 64.174 64.155 0.019 19108 15445 1 18 . 1 1 7 7 SER H H 7 8.195 8.195 8.421 -0.226 19108 15446 1 18 . 1 1 8 8 GLY N N 8 110.497 110.497 108.857 1.640 19108 15447 1 18 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.070 0.776 19108 15448 1 18 . 1 1 8 8 GLY H H 8 8.226 8.226 8.225 0.001 19108 15449 1 18 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.299 0.150 19108 15450 1 18 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.139 0.295 19108 15451 1 18 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.801 0.392 19108 15452 1 18 . 1 1 10 10 ARG N N 10 120.534 120.534 127.237 -6.703 19108 15453 1 18 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.558 -0.217 19108 15454 1 18 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.544 1.472 19108 15455 1 18 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.467 0.342 19108 15456 1 18 . 1 1 10 10 ARG H H 10 8.469 8.469 8.434 0.035 19108 15457 1 18 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.144 0.681 19108 15458 1 18 . 1 1 11 11 HIS CA C 11 55.461 55.461 56.736 -1.274 19108 15459 1 18 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.479 0.712 19108 15460 1 18 . 1 1 12 12 LEU N N 12 122.284 122.284 121.635 0.649 19108 15461 1 18 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.725 0.884 19108 15462 1 18 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.182 1.848 19108 15463 1 18 . 1 1 12 12 LEU H H 12 8.250 8.250 7.928 0.322 19108 15464 1 18 . 1 1 13 13 MET N N 13 121.493 121.493 118.125 3.368 19108 15465 1 18 . 1 1 13 13 MET HA H 13 4.038 4.038 4.260 -0.222 19108 15466 1 18 . 1 1 13 13 MET CA C 13 54.449 54.449 55.257 -0.808 19108 15467 1 18 . 1 1 13 13 MET CB C 13 35.015 35.015 33.330 1.685 19108 15468 1 18 . 1 1 13 13 MET H H 13 8.955 8.955 7.676 1.279 19108 15469 1 18 . 1 1 14 14 ASP N N 14 127.113 127.113 120.292 6.821 19108 15470 1 18 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.610 -0.510 19108 15471 1 18 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.800 -0.344 19108 15472 1 18 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.507 2.003 19108 15473 1 18 . 1 1 14 14 ASP H H 14 8.514 8.514 8.386 0.128 19108 15474 1 18 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.097 -0.244 19108 15475 1 18 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.457 0.197 19108 15476 1 18 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.701 -0.050 19108 15477 1 18 . 1 1 16 16 HIS N N 16 115.776 115.776 115.394 0.382 19108 15478 1 18 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.421 -0.143 19108 15479 1 18 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.066 -0.148 19108 15480 1 18 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.302 0.906 19108 15481 1 18 . 1 1 16 16 HIS H H 16 8.591 8.591 7.701 0.890 19108 15482 1 18 . 1 1 17 17 ILE N N 17 122.675 122.675 120.927 1.748 19108 15483 1 18 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.663 -0.179 19108 15484 1 18 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.509 -1.283 19108 15485 1 18 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.826 -0.729 19108 15486 1 18 . 1 1 17 17 ILE H H 17 7.558 7.558 7.760 -0.202 19108 15487 1 18 . 1 1 18 18 PHE N N 18 120.513 120.513 119.995 0.518 19108 15488 1 18 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.136 -0.133 19108 15489 1 18 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.650 1.154 19108 15490 1 18 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.045 0.595 19108 15491 1 18 . 1 1 18 18 PHE H H 18 7.831 7.831 8.535 -0.704 19108 15492 1 18 . 1 1 19 19 THR N N 19 114.555 114.555 114.656 -0.101 19108 15493 1 18 . 1 1 19 19 THR HA H 19 3.657 3.657 4.299 -0.642 19108 15494 1 18 . 1 1 19 19 THR CA C 19 66.485 66.485 66.128 0.357 19108 15495 1 18 . 1 1 19 19 THR CB C 19 68.345 68.345 68.414 -0.069 19108 15496 1 18 . 1 1 19 19 THR H H 19 9.036 9.036 8.330 0.706 19108 15497 1 18 . 1 1 20 20 SER N N 20 113.030 113.030 116.229 -3.199 19108 15498 1 18 . 1 1 20 20 SER HA H 20 4.062 4.062 4.223 -0.161 19108 15499 1 18 . 1 1 20 20 SER CA C 20 60.610 60.610 61.707 -1.097 19108 15500 1 18 . 1 1 20 20 SER CB C 20 63.843 63.843 63.462 0.381 19108 15501 1 18 . 1 1 20 20 SER H H 20 7.809 7.809 8.389 -0.580 19108 15502 1 18 . 1 1 21 21 ASN N N 21 115.629 115.629 119.208 -3.579 19108 15503 1 18 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.318 0.093 19108 15504 1 18 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.291 1.698 19108 15505 1 18 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.597 3.983 19108 15506 1 18 . 1 1 21 21 ASN H H 21 7.362 7.362 7.671 -0.309 19108 15507 1 18 . 1 1 22 22 PHE N N 22 117.773 117.773 117.712 0.061 19108 15508 1 18 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.575 -0.302 19108 15509 1 18 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.445 -0.985 19108 15510 1 18 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.926 -1.096 19108 15511 1 18 . 1 1 22 22 PHE H H 22 8.296 8.296 7.749 0.547 19108 15512 1 18 . 1 1 23 23 ASN N N 23 115.026 115.026 120.144 -5.118 19108 15513 1 18 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.366 0.163 19108 15514 1 18 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.139 0.503 19108 15515 1 18 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.076 -1.453 19108 15516 1 18 . 1 1 23 23 ASN H H 23 6.097 6.097 7.415 -1.318 19108 15517 1 18 . 1 1 24 24 ASN N N 24 122.900 122.900 123.736 -0.836 19108 15518 1 18 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.253 0.180 19108 15519 1 18 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.834 -0.562 19108 15520 1 18 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.911 -0.019 19108 15521 1 18 . 1 1 24 24 ASN H H 24 7.083 7.083 7.739 -0.656 19108 15522 1 18 . 1 1 25 25 GLY N N 25 105.587 105.587 110.940 -5.353 19108 15523 1 18 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.503 0.362 19108 15524 1 18 . 1 1 25 25 GLY H H 25 8.520 8.520 8.162 0.358 19108 15525 1 18 . 1 1 26 26 ILE N N 26 120.182 120.182 117.475 2.707 19108 15526 1 18 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.750 -0.576 19108 15527 1 18 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.179 2.264 19108 15528 1 18 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.712 0.803 19108 15529 1 18 . 1 1 26 26 ILE H H 26 6.944 6.944 7.814 -0.870 19108 15530 1 18 . 1 1 27 27 GLY N N 27 111.665 111.665 106.326 5.339 19108 15531 1 18 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.539 0.780 19108 15532 1 18 . 1 1 27 27 GLY H H 27 8.457 8.457 8.024 0.433 19108 15533 1 18 . 1 1 28 28 ARG N N 28 117.565 117.565 119.191 -1.626 19108 15534 1 18 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.408 -0.844 19108 15535 1 18 . 1 1 28 28 ARG H H 28 6.741 6.741 8.516 -1.775 19108 15536 1 18 . 1 1 29 29 HIS CA C 29 58.003 58.003 57.164 0.838 19108 15537 1 18 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.438 -0.394 19108 15538 1 18 . 1 1 29 29 HIS H H 29 8.636 8.636 7.924 0.712 19108 15539 1 18 . 1 1 30 30 LYS N N 30 119.344 119.344 121.517 -2.173 19108 15540 1 18 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.284 0.137 19108 15541 1 18 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.868 0.996 19108 15542 1 18 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.470 1.721 19108 15543 1 18 . 1 1 30 30 LYS H H 30 7.870 7.870 8.064 -0.194 19108 15544 1 18 . 1 1 31 31 THR N N 31 118.233 118.233 111.525 6.708 19108 15545 1 18 . 1 1 31 31 THR HA H 31 4.125 4.125 3.736 0.389 19108 15546 1 18 . 1 1 31 31 THR CA C 31 63.175 63.175 62.980 0.195 19108 15547 1 18 . 1 1 31 31 THR H H 31 8.436 8.436 7.100 1.336 19108 15548 1 18 . 1 1 32 32 TYR N N 32 124.026 124.026 120.421 3.605 19108 15549 1 18 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.011 -0.075 19108 15550 1 18 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.249 0.252 19108 15551 1 18 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.756 1.648 19108 15552 1 18 . 1 1 32 32 TYR H H 32 8.244 8.244 8.789 -0.545 19108 15553 1 18 . 1 1 33 33 LEU N N 33 125.428 125.428 123.114 2.314 19108 15554 1 18 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.459 -0.380 19108 15555 1 18 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.312 1.526 19108 15556 1 18 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.516 1.468 19108 15557 1 18 . 1 1 33 33 LEU H H 33 9.232 9.232 8.831 0.401 19108 15558 1 18 . 1 1 34 34 CYS N N 34 125.975 125.975 125.483 0.492 19108 15559 1 18 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.828 0.178 19108 15560 1 18 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.633 0.512 19108 15561 1 18 . 1 1 34 34 CYS CB C 34 28.302 28.302 28.400 -0.098 19108 15562 1 18 . 1 1 34 34 CYS H H 34 9.640 9.640 8.522 1.118 19108 15563 1 18 . 1 1 35 35 TYR N N 35 121.183 121.183 122.164 -0.981 19108 15564 1 18 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.629 0.859 19108 15565 1 18 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.804 -0.022 19108 15566 1 18 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.534 2.556 19108 15567 1 18 . 1 1 35 35 TYR H H 35 9.094 9.094 8.543 0.551 19108 15568 1 18 . 1 1 36 36 GLU N N 36 115.538 115.538 122.163 -6.625 19108 15569 1 18 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.984 0.451 19108 15570 1 18 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.392 0.999 19108 15571 1 18 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.781 -0.237 19108 15572 1 18 . 1 1 36 36 GLU H H 36 8.977 8.977 8.463 0.514 19108 15573 1 18 . 1 1 37 37 VAL N N 37 121.600 121.600 122.840 -1.240 19108 15574 1 18 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.790 0.369 19108 15575 1 18 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.632 0.416 19108 15576 1 18 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.810 0.260 19108 15577 1 18 . 1 1 37 37 VAL H H 37 9.271 9.271 8.731 0.540 19108 15578 1 18 . 1 1 38 38 GLU N N 38 125.227 125.227 126.595 -1.368 19108 15579 1 18 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.175 0.043 19108 15580 1 18 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.829 -0.577 19108 15581 1 18 . 1 1 38 38 GLU CB C 38 34.927 34.927 32.987 1.940 19108 15582 1 18 . 1 1 38 38 GLU H H 38 9.114 9.114 8.501 0.613 19108 15583 1 18 . 1 1 39 39 ARG N N 39 124.872 124.872 125.504 -0.632 19108 15584 1 18 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.135 1.230 19108 15585 1 18 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.502 -0.255 19108 15586 1 18 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.580 0.985 19108 15587 1 18 . 1 1 39 39 ARG H H 39 9.215 9.215 8.296 0.919 19108 15588 1 18 . 1 1 40 40 LEU N N 40 126.510 126.510 127.905 -1.395 19108 15589 1 18 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.583 0.170 19108 15590 1 18 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.523 -0.200 19108 15591 1 18 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.862 -2.019 19108 15592 1 18 . 1 1 40 40 LEU H H 40 8.659 8.659 7.776 0.883 19108 15593 1 18 . 1 1 41 41 ASP N N 41 124.410 124.410 122.992 1.418 19108 15594 1 18 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.830 -0.037 19108 15595 1 18 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.331 -0.114 19108 15596 1 18 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.891 -1.158 19108 15597 1 18 . 1 1 41 41 ASP H H 41 8.575 8.575 8.265 0.310 19108 15598 1 18 . 1 1 42 42 ASN N N 42 123.319 123.319 122.691 0.628 19108 15599 1 18 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.327 0.093 19108 15600 1 18 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.458 0.715 19108 15601 1 18 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.719 0.127 19108 15602 1 18 . 1 1 42 42 ASN H H 42 9.048 9.048 9.001 0.047 19108 15603 1 18 . 1 1 43 43 GLY N N 43 106.044 106.044 102.362 3.682 19108 15604 1 18 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.378 0.016 19108 15605 1 18 . 1 1 43 43 GLY H H 43 8.548 8.548 8.283 0.265 19108 15606 1 18 . 1 1 44 44 THR N N 44 115.893 115.893 119.157 -3.264 19108 15607 1 18 . 1 1 44 44 THR HA H 44 4.524 4.524 4.437 0.087 19108 15608 1 18 . 1 1 44 44 THR CA C 44 61.285 61.285 61.595 -0.310 19108 15609 1 18 . 1 1 44 44 THR CB C 44 70.572 70.572 68.423 2.149 19108 15610 1 18 . 1 1 44 44 THR H H 44 7.833 7.833 7.579 0.254 19108 15611 1 18 . 1 1 45 45 SER N N 45 119.589 119.589 123.216 -3.627 19108 15612 1 18 . 1 1 45 45 SER HA H 45 4.804 4.804 4.880 -0.076 19108 15613 1 18 . 1 1 45 45 SER CA C 45 58.080 58.080 57.619 0.461 19108 15614 1 18 . 1 1 45 45 SER CB C 45 64.265 64.265 63.056 1.209 19108 15615 1 18 . 1 1 45 45 SER H H 45 8.590 8.590 8.737 -0.147 19108 15616 1 18 . 1 1 46 46 VAL N N 46 125.827 125.827 123.345 2.482 19108 15617 1 18 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.516 -0.223 19108 15618 1 18 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.880 0.963 19108 15619 1 18 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.578 0.939 19108 15620 1 18 . 1 1 46 46 VAL H H 46 9.034 9.034 8.533 0.501 19108 15621 1 18 . 1 1 47 47 LYS N N 47 126.528 126.528 127.165 -0.637 19108 15622 1 18 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.318 -0.033 19108 15623 1 18 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.200 1.465 19108 15624 1 18 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.132 -0.340 19108 15625 1 18 . 1 1 47 47 LYS H H 47 8.738 8.738 8.502 0.236 19108 15626 1 18 . 1 1 48 48 MET N N 48 122.645 122.645 123.289 -0.644 19108 15627 1 18 . 1 1 48 48 MET HA H 48 5.195 5.195 4.507 0.688 19108 15628 1 18 . 1 1 48 48 MET CA C 48 54.747 54.747 55.776 -1.029 19108 15629 1 18 . 1 1 48 48 MET CB C 48 32.379 32.379 33.121 -0.742 19108 15630 1 18 . 1 1 48 48 MET H H 48 8.334 8.334 8.397 -0.063 19108 15631 1 18 . 1 1 49 49 ASP N N 49 123.713 123.713 119.552 4.161 19108 15632 1 18 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.702 -0.278 19108 15633 1 18 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.600 1.010 19108 15634 1 18 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.801 -0.767 19108 15635 1 18 . 1 1 49 49 ASP H H 49 8.575 8.575 8.509 0.066 19108 15636 1 18 . 1 1 50 50 GLN N N 50 117.540 117.540 118.704 -1.164 19108 15637 1 18 . 1 1 50 50 GLN H H 50 9.110 9.110 8.421 0.689 19108 15638 1 18 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.705 0.446 19108 15639 1 18 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.214 -1.380 19108 15640 1 18 . 1 1 51 51 HIS H H 51 8.031 8.031 8.543 -0.512 19108 15641 1 18 . 1 1 52 52 ARG N N 52 117.888 117.888 118.842 -0.954 19108 15642 1 18 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.521 0.716 19108 15643 1 18 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.551 0.504 19108 15644 1 18 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.693 0.361 19108 15645 1 18 . 1 1 52 52 ARG H H 52 7.685 7.685 7.553 0.133 19108 15646 1 18 . 1 1 53 53 GLY N N 53 108.573 108.573 105.613 2.960 19108 15647 1 18 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.146 0.562 19108 15648 1 18 . 1 1 53 53 GLY H H 53 7.529 7.529 7.236 0.293 19108 15649 1 18 . 1 1 54 54 PHE N N 54 113.146 113.146 115.683 -2.537 19108 15650 1 18 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.543 0.452 19108 15651 1 18 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.708 -0.852 19108 15652 1 18 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.629 2.734 19108 15653 1 18 . 1 1 54 54 PHE H H 54 8.287 8.287 7.920 0.367 19108 15654 1 18 . 1 1 55 55 LEU N N 55 119.389 119.389 120.388 -0.999 19108 15655 1 18 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.505 0.190 19108 15656 1 18 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.310 0.402 19108 15657 1 18 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.972 0.656 19108 15658 1 18 . 1 1 55 55 LEU H H 55 9.452 9.452 8.696 0.756 19108 15659 1 18 . 1 1 56 56 HIS N N 56 114.176 114.176 112.442 1.734 19108 15660 1 18 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.768 0.671 19108 15661 1 18 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.003 0.462 19108 15662 1 18 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.974 0.493 19108 15663 1 18 . 1 1 56 56 HIS H H 56 7.709 7.709 7.378 0.331 19108 15664 1 18 . 1 1 57 57 ASN N N 57 116.522 116.522 118.230 -1.708 19108 15665 1 18 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.326 0.089 19108 15666 1 18 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.668 -0.484 19108 15667 1 18 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.671 -0.009 19108 15668 1 18 . 1 1 57 57 ASN H H 57 8.684 8.684 8.154 0.530 19108 15669 1 18 . 1 1 58 58 GLN N N 58 122.850 122.850 117.671 5.179 19108 15670 1 18 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.320 0.069 19108 15671 1 18 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.175 -0.322 19108 15672 1 18 . 1 1 58 58 GLN CB C 58 30.382 30.382 30.783 -0.401 19108 15673 1 18 . 1 1 58 58 GLN H H 58 9.099 9.099 7.877 1.222 19108 15674 1 18 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.082 0.218 19108 15675 1 18 . 1 1 59 59 ALA CA C 59 52.504 52.504 53.018 -0.514 19108 15676 1 18 . 1 1 59 59 ALA CB C 59 19.421 19.421 17.823 1.598 19108 15677 1 18 . 1 1 60 60 LYS N N 60 119.998 119.998 124.484 -4.486 19108 15678 1 18 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.256 -0.480 19108 15679 1 18 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.871 0.430 19108 15680 1 18 . 1 1 60 60 LYS CB C 60 32.816 32.816 34.332 -1.516 19108 15681 1 18 . 1 1 60 60 LYS H H 60 8.344 8.344 8.216 0.128 19108 15682 1 18 . 1 1 61 61 ASN N N 61 119.688 119.688 116.459 3.229 19108 15683 1 18 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.704 -0.249 19108 15684 1 18 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.064 -0.160 19108 15685 1 18 . 1 1 61 61 ASN CB C 61 38.537 38.537 40.986 -2.449 19108 15686 1 18 . 1 1 61 61 ASN H H 61 8.643 8.643 7.708 0.935 19108 15687 1 18 . 1 1 62 62 LEU N N 62 124.761 124.761 120.653 4.108 19108 15688 1 18 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.201 -0.267 19108 15689 1 18 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.942 -0.697 19108 15690 1 18 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.023 -0.080 19108 15691 1 18 . 1 1 62 62 LEU H H 62 8.873 8.873 8.985 -0.112 19108 15692 1 18 . 1 1 63 63 LEU N N 63 120.312 120.312 121.906 -1.594 19108 15693 1 18 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.148 0.051 19108 15694 1 18 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.424 -0.347 19108 15695 1 18 . 1 1 63 63 LEU CB C 63 41.257 41.257 42.145 -0.888 19108 15696 1 18 . 1 1 63 63 LEU H H 63 8.145 8.145 7.647 0.498 19108 15697 1 18 . 1 1 64 64 CYS N N 64 113.898 113.898 114.971 -1.073 19108 15698 1 18 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.618 -0.447 19108 15699 1 18 . 1 1 64 64 CYS CA C 64 57.784 57.784 57.699 0.085 19108 15700 1 18 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.020 0.698 19108 15701 1 18 . 1 1 64 64 CYS H H 64 7.376 7.376 8.407 -1.031 19108 15702 1 18 . 1 1 65 65 GLY N N 65 108.894 108.894 110.521 -1.627 19108 15703 1 18 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.630 0.353 19108 15704 1 18 . 1 1 65 65 GLY H H 65 7.789 7.789 8.056 -0.267 19108 15705 1 18 . 1 1 66 66 PHE N N 66 118.711 118.711 119.540 -0.829 19108 15706 1 18 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.783 -0.866 19108 15707 1 18 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.585 -0.645 19108 15708 1 18 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.404 -0.136 19108 15709 1 18 . 1 1 66 66 PHE H H 66 7.699 7.699 7.147 0.552 19108 15710 1 18 . 1 1 67 67 TYR N N 67 124.623 124.623 125.790 -1.167 19108 15711 1 18 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.630 -0.330 19108 15712 1 18 . 1 1 67 67 TYR CA C 67 58.764 58.764 58.210 0.554 19108 15713 1 18 . 1 1 67 67 TYR CB C 67 38.153 38.153 40.077 -1.924 19108 15714 1 18 . 1 1 67 67 TYR H H 67 8.568 8.568 8.556 0.012 19108 15715 1 18 . 1 1 69 69 ARG N N 69 121.427 121.427 123.436 -2.009 19108 15716 1 18 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.811 2.246 19108 15717 1 18 . 1 1 69 69 ARG CB C 69 32.296 32.296 34.128 -1.832 19108 15718 1 18 . 1 1 69 69 ARG H H 69 8.313 8.313 8.006 0.307 19108 15719 1 18 . 1 1 70 70 HIS N N 70 128.351 128.351 121.944 6.407 19108 15720 1 18 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.738 0.044 19108 15721 1 18 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.620 0.096 19108 15722 1 18 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.994 -0.218 19108 15723 1 18 . 1 1 70 70 HIS H H 70 9.182 9.182 8.828 0.354 19108 15724 1 18 . 1 1 71 71 ALA N N 71 125.649 125.649 129.643 -3.994 19108 15725 1 18 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.884 -0.527 19108 15726 1 18 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.369 0.413 19108 15727 1 18 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.995 -0.985 19108 15728 1 18 . 1 1 71 71 ALA H H 71 8.968 8.968 8.906 0.062 19108 15729 1 18 . 1 1 72 72 GLU N N 72 119.941 119.941 118.610 1.331 19108 15730 1 18 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.675 -0.698 19108 15731 1 18 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.193 1.763 19108 15732 1 18 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.989 -0.983 19108 15733 1 18 . 1 1 72 72 GLU H H 72 12.692 12.692 8.599 4.093 19108 15734 1 18 . 1 1 73 73 LEU N N 73 114.882 114.882 120.577 -5.695 19108 15735 1 18 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.947 -0.362 19108 15736 1 18 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.532 -1.871 19108 15737 1 18 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.322 -2.077 19108 15738 1 18 . 1 1 73 73 LEU H H 73 6.637 6.637 7.588 -0.951 19108 15739 1 18 . 1 1 74 74 ARG N N 74 117.799 117.799 117.730 0.069 19108 15740 1 18 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.905 0.137 19108 15741 1 18 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.619 -0.444 19108 15742 1 18 . 1 1 74 74 ARG H H 74 7.556 7.556 7.468 0.088 19108 15743 1 18 . 1 1 75 75 PHE N N 75 119.783 119.783 120.255 -0.472 19108 15744 1 18 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.063 -0.502 19108 15745 1 18 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.296 1.378 19108 15746 1 18 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.504 -0.466 19108 15747 1 18 . 1 1 75 75 PHE H H 75 8.233 8.233 7.538 0.695 19108 15748 1 18 . 1 1 76 76 LEU N N 76 119.526 119.526 119.380 0.146 19108 15749 1 18 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.263 0.295 19108 15750 1 18 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.996 1.043 19108 15751 1 18 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.796 -2.780 19108 15752 1 18 . 1 1 76 76 LEU H H 76 7.629 7.629 8.405 -0.776 19108 15753 1 18 . 1 1 77 77 ASP N N 77 118.215 118.215 119.233 -1.018 19108 15754 1 18 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.422 -0.264 19108 15755 1 18 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.499 -0.099 19108 15756 1 18 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.323 -0.955 19108 15757 1 18 . 1 1 77 77 ASP H H 77 8.190 8.190 8.039 0.151 19108 15758 1 18 . 1 1 78 78 LEU N N 78 117.496 117.496 115.113 2.383 19108 15759 1 18 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.583 -0.293 19108 15760 1 18 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.717 0.268 19108 15761 1 18 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.474 0.927 19108 15762 1 18 . 1 1 78 78 LEU H H 78 7.252 7.252 7.168 0.084 19108 15763 1 18 . 1 1 79 79 VAL N N 79 120.915 120.915 123.428 -2.513 19108 15764 1 18 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.511 -0.288 19108 15765 1 18 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.129 0.399 19108 15766 1 18 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.290 -0.170 19108 15767 1 18 . 1 1 79 79 VAL H H 79 7.179 7.179 7.130 0.049 19108 15768 1 18 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.366 -0.391 19108 15769 1 18 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.664 1.123 19108 15770 1 18 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.875 -1.067 19108 15771 1 18 . 1 1 81 81 SER N N 81 112.727 112.727 115.118 -2.391 19108 15772 1 18 . 1 1 81 81 SER HA H 81 4.314 4.314 4.326 -0.012 19108 15773 1 18 . 1 1 81 81 SER CA C 81 60.618 60.618 60.750 -0.132 19108 15774 1 18 . 1 1 81 81 SER CB C 81 63.450 63.450 62.575 0.875 19108 15775 1 18 . 1 1 81 81 SER H H 81 7.828 7.828 7.632 0.196 19108 15776 1 18 . 1 1 82 82 LEU N N 82 120.918 120.918 119.763 1.155 19108 15777 1 18 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.444 -0.570 19108 15778 1 18 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.628 0.864 19108 15779 1 18 . 1 1 82 82 LEU CB C 82 40.211 40.211 41.711 -1.500 19108 15780 1 18 . 1 1 82 82 LEU H H 82 7.912 7.912 7.846 0.066 19108 15781 1 18 . 1 1 83 83 GLN N N 83 111.397 111.397 114.663 -3.266 19108 15782 1 18 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.889 -0.081 19108 15783 1 18 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.081 0.085 19108 15784 1 18 . 1 1 83 83 GLN CB C 83 26.668 26.668 25.800 0.868 19108 15785 1 18 . 1 1 83 83 GLN H H 83 7.458 7.458 7.458 -0.000 19108 15786 1 18 . 1 1 84 84 LEU N N 84 118.520 118.520 119.936 -1.416 19108 15787 1 18 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.069 -0.350 19108 15788 1 18 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.405 -1.663 19108 15789 1 18 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.596 -3.351 19108 15790 1 18 . 1 1 84 84 LEU H H 84 8.736 8.736 8.149 0.587 19108 15791 1 18 . 1 1 85 85 ASP N N 85 126.187 126.187 121.696 4.491 19108 15792 1 18 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.099 -0.216 19108 15793 1 18 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.142 -0.795 19108 15794 1 18 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.718 1.230 19108 15795 1 18 . 1 1 85 85 ASP H H 85 8.415 8.415 8.487 -0.072 19108 15796 1 18 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.542 0.386 19108 15797 1 18 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.011 -0.373 19108 15798 1 18 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.797 -0.511 19108 15799 1 18 . 1 1 87 87 ALA N N 87 121.030 121.030 119.461 1.569 19108 15800 1 18 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.105 0.313 19108 15801 1 18 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.633 -1.461 19108 15802 1 18 . 1 1 87 87 ALA CB C 87 19.348 19.348 19.012 0.336 19108 15803 1 18 . 1 1 87 87 ALA H H 87 8.504 8.504 7.933 0.571 19108 15804 1 18 . 1 1 88 88 GLN N N 88 119.601 119.601 114.297 5.304 19108 15805 1 18 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.487 0.035 19108 15806 1 18 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.101 -0.667 19108 15807 1 18 . 1 1 88 88 GLN CB C 88 30.049 30.049 32.634 -2.585 19108 15808 1 18 . 1 1 88 88 GLN H H 88 8.125 8.125 7.622 0.503 19108 15809 1 18 . 1 1 89 89 ILE N N 89 118.195 118.195 116.960 1.235 19108 15810 1 18 . 1 1 89 89 ILE HA H 89 4.969 4.969 5.068 -0.099 19108 15811 1 18 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.146 -0.605 19108 15812 1 18 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.631 -0.379 19108 15813 1 18 . 1 1 89 89 ILE H H 89 8.099 8.099 8.314 -0.215 19108 15814 1 18 . 1 1 90 90 TYR N N 90 122.421 122.421 122.295 0.126 19108 15815 1 18 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.205 0.156 19108 15816 1 18 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.178 -1.138 19108 15817 1 18 . 1 1 90 90 TYR CB C 90 42.826 42.826 44.171 -1.345 19108 15818 1 18 . 1 1 90 90 TYR H H 90 8.892 8.892 8.517 0.375 19108 15819 1 18 . 1 1 91 91 ARG N N 91 121.043 121.043 120.991 0.052 19108 15820 1 18 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.003 0.240 19108 15821 1 18 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.977 -1.442 19108 15822 1 18 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.300 -0.168 19108 15823 1 18 . 1 1 91 91 ARG H H 91 9.327 9.327 8.688 0.639 19108 15824 1 18 . 1 1 92 92 VAL N N 92 132.287 132.287 129.514 2.773 19108 15825 1 18 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.157 -0.233 19108 15826 1 18 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.893 0.012 19108 15827 1 18 . 1 1 92 92 VAL CB C 92 32.853 32.853 31.930 0.923 19108 15828 1 18 . 1 1 92 92 VAL H H 92 9.668 9.668 8.783 0.885 19108 15829 1 18 . 1 1 93 93 THR N N 93 124.468 124.468 124.210 0.258 19108 15830 1 18 . 1 1 93 93 THR HA H 93 5.264 5.264 4.621 0.643 19108 15831 1 18 . 1 1 93 93 THR CA C 93 61.616 61.616 63.273 -1.657 19108 15832 1 18 . 1 1 93 93 THR CB C 93 70.082 70.082 69.439 0.643 19108 15833 1 18 . 1 1 93 93 THR H H 93 9.381 9.381 8.458 0.923 19108 15834 1 18 . 1 1 94 94 TRP N N 94 124.491 124.491 128.289 -3.798 19108 15835 1 18 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.894 0.772 19108 15836 1 18 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.300 -3.095 19108 15837 1 18 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.002 2.666 19108 15838 1 18 . 1 1 94 94 TRP H H 94 9.071 9.071 9.170 -0.099 19108 15839 1 18 . 1 1 95 95 PHE N N 95 122.179 122.179 122.806 -0.627 19108 15840 1 18 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.027 0.643 19108 15841 1 18 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.268 -0.494 19108 15842 1 18 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.693 -1.244 19108 15843 1 18 . 1 1 95 95 PHE H H 95 9.578 9.578 8.447 1.131 19108 15844 1 18 . 1 1 96 96 ILE N N 96 125.072 125.072 122.380 2.692 19108 15845 1 18 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.045 0.928 19108 15846 1 18 . 1 1 96 96 ILE CA C 96 58.427 58.427 60.086 -1.659 19108 15847 1 18 . 1 1 96 96 ILE CB C 96 45.073 45.073 39.510 5.563 19108 15848 1 18 . 1 1 96 96 ILE H H 96 9.816 9.816 8.736 1.080 19108 15849 1 18 . 1 1 97 97 SER N N 97 124.020 124.020 120.192 3.828 19108 15850 1 18 . 1 1 97 97 SER HA H 97 3.623 3.623 4.822 -1.199 19108 15851 1 18 . 1 1 97 97 SER CA C 97 61.750 61.750 60.609 1.141 19108 15852 1 18 . 1 1 97 97 SER CB C 97 63.711 63.711 63.751 -0.040 19108 15853 1 18 . 1 1 97 97 SER H H 97 9.156 9.156 8.448 0.708 19108 15854 1 18 . 1 1 98 98 TRP N N 98 114.829 114.829 120.450 -5.621 19108 15855 1 18 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.129 0.210 19108 15856 1 18 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.788 -2.117 19108 15857 1 18 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.064 2.687 19108 15858 1 18 . 1 1 98 98 TRP H H 98 6.619 6.619 7.857 -1.238 19108 15859 1 18 . 1 1 99 99 SER N N 99 115.444 115.444 118.420 -2.976 19108 15860 1 18 . 1 1 99 99 SER CA C 99 58.045 58.045 56.456 1.589 19108 15861 1 18 . 1 1 99 99 SER CB C 99 61.927 61.927 63.905 -1.978 19108 15862 1 18 . 1 1 99 99 SER H H 99 8.590 8.590 8.530 0.060 19108 15863 1 18 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.670 -1.745 19108 15864 1 18 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.269 2.527 19108 15865 1 18 . 1 1 101 101 CYS N N 101 121.768 121.768 119.122 2.646 19108 15866 1 18 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.720 1.939 19108 15867 1 18 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.352 0.837 19108 15868 1 18 . 1 1 101 101 CYS H H 101 8.686 8.686 8.102 0.584 19108 15869 1 18 . 1 1 102 102 PHE N N 102 115.031 115.031 122.211 -7.180 19108 15870 1 18 . 1 1 102 102 PHE CA C 102 58.960 58.960 58.274 0.686 19108 15871 1 18 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.173 0.984 19108 15872 1 18 . 1 1 102 102 PHE H H 102 9.318 9.318 8.777 0.541 19108 15873 1 18 . 1 1 103 103 SER N N 103 119.552 119.552 121.326 -1.774 19108 15874 1 18 . 1 1 103 103 SER HA H 103 3.713 3.713 4.069 -0.356 19108 15875 1 18 . 1 1 103 103 SER CA C 103 63.368 63.368 61.228 2.140 19108 15876 1 18 . 1 1 103 103 SER CB C 103 60.539 60.539 63.217 -2.678 19108 15877 1 18 . 1 1 103 103 SER H H 103 10.858 10.858 9.077 1.781 19108 15878 1 18 . 1 1 104 104 TRP N N 104 117.909 117.909 121.413 -3.504 19108 15879 1 18 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.666 -0.890 19108 15880 1 18 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.448 0.766 19108 15881 1 18 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.980 -1.095 19108 15882 1 18 . 1 1 104 104 TRP H H 104 7.880 7.880 8.264 -0.384 19108 15883 1 18 . 1 1 105 105 GLY N N 105 106.359 106.359 107.766 -1.407 19108 15884 1 18 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.409 -1.328 19108 15885 1 18 . 1 1 105 105 GLY H H 105 7.468 7.468 9.062 -1.594 19108 15886 1 18 . 1 1 106 106 CYS N N 106 120.359 120.359 119.954 0.405 19108 15887 1 18 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.308 -0.449 19108 15888 1 18 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.077 6.025 19108 15889 1 18 . 1 1 106 106 CYS CB C 106 28.718 28.718 25.623 3.095 19108 15890 1 18 . 1 1 106 106 CYS H H 106 7.366 7.366 7.627 -0.261 19108 15891 1 18 . 1 1 107 107 ALA N N 107 119.725 119.725 125.168 -5.443 19108 15892 1 18 . 1 1 107 107 ALA HA H 107 3.865 3.865 3.909 -0.044 19108 15893 1 18 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.396 1.538 19108 15894 1 18 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.118 0.325 19108 15895 1 18 . 1 1 107 107 ALA H H 107 8.719 8.719 8.648 0.071 19108 15896 1 18 . 1 1 108 108 GLY N N 108 103.829 103.829 106.903 -3.074 19108 15897 1 18 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.301 -0.407 19108 15898 1 18 . 1 1 108 108 GLY H H 108 8.555 8.555 8.113 0.442 19108 15899 1 18 . 1 1 109 109 GLU N N 109 123.162 123.162 122.209 0.953 19108 15900 1 18 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.106 0.160 19108 15901 1 18 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.389 -0.097 19108 15902 1 18 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.368 1.014 19108 15903 1 18 . 1 1 109 109 GLU H H 109 8.023 8.023 7.704 0.319 19108 15904 1 18 . 1 1 110 110 VAL N N 110 121.866 121.866 119.833 2.033 19108 15905 1 18 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.718 -0.019 19108 15906 1 18 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.362 0.681 19108 15907 1 18 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.225 -0.219 19108 15908 1 18 . 1 1 110 110 VAL H H 110 8.942 8.942 8.583 0.359 19108 15909 1 18 . 1 1 111 111 ARG N N 111 120.587 120.587 120.564 0.023 19108 15910 1 18 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.751 0.035 19108 15911 1 18 . 1 1 111 111 ARG CA C 111 60.081 60.081 60.038 0.042 19108 15912 1 18 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.060 -0.885 19108 15913 1 18 . 1 1 111 111 ARG H H 111 8.653 8.653 8.569 0.084 19108 15914 1 18 . 1 1 112 112 ALA N N 112 120.687 120.687 121.597 -0.910 19108 15915 1 18 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.015 0.119 19108 15916 1 18 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.077 0.341 19108 15917 1 18 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.076 -0.085 19108 15918 1 18 . 1 1 112 112 ALA H H 112 7.875 7.875 8.011 -0.136 19108 15919 1 18 . 1 1 113 113 PHE N N 113 118.950 118.950 118.727 0.223 19108 15920 1 18 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.128 0.209 19108 15921 1 18 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.586 -0.210 19108 15922 1 18 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.323 0.064 19108 15923 1 18 . 1 1 113 113 PHE H H 113 8.139 8.139 7.720 0.419 19108 15924 1 18 . 1 1 114 114 LEU N N 114 120.595 120.595 121.209 -0.614 19108 15925 1 18 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.817 -0.017 19108 15926 1 18 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.137 -1.004 19108 15927 1 18 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.233 -0.324 19108 15928 1 18 . 1 1 114 114 LEU H H 114 8.639 8.639 8.435 0.204 19108 15929 1 18 . 1 1 115 115 GLN N N 115 117.666 117.666 115.835 1.831 19108 15930 1 18 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.952 0.071 19108 15931 1 18 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.385 0.002 19108 15932 1 18 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.555 -0.017 19108 15933 1 18 . 1 1 115 115 GLN H H 115 8.167 8.167 8.344 -0.177 19108 15934 1 18 . 1 1 116 116 GLU N N 116 115.380 115.380 119.118 -3.738 19108 15935 1 18 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.264 0.058 19108 15936 1 18 . 1 1 116 116 GLU CA C 116 57.062 57.062 57.316 -0.254 19108 15937 1 18 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.703 0.012 19108 15938 1 18 . 1 1 116 116 GLU H H 116 7.448 7.448 7.619 -0.171 19108 15939 1 18 . 1 1 117 117 ASN N N 117 119.831 119.831 117.447 2.384 19108 15940 1 18 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.026 0.039 19108 15941 1 18 . 1 1 117 117 ASN CA C 117 52.185 52.185 51.805 0.380 19108 15942 1 18 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.117 0.129 19108 15943 1 18 . 1 1 117 117 ASN H H 117 7.632 7.632 8.252 -0.620 19108 15944 1 18 . 1 1 118 118 THR N N 118 111.041 111.041 113.223 -2.182 19108 15945 1 18 . 1 1 118 118 THR HA H 118 4.317 4.317 3.978 0.339 19108 15946 1 18 . 1 1 118 118 THR CA C 118 64.081 64.081 64.570 -0.489 19108 15947 1 18 . 1 1 118 118 THR CB C 118 68.767 68.767 68.198 0.569 19108 15948 1 18 . 1 1 118 118 THR H H 118 8.054 8.054 7.640 0.414 19108 15949 1 18 . 1 1 119 119 HIS N N 119 120.403 120.403 115.805 4.598 19108 15950 1 18 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.618 -0.329 19108 15951 1 18 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.036 1.565 19108 15952 1 18 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.493 1.827 19108 15953 1 18 . 1 1 119 119 HIS H H 119 9.248 9.248 8.171 1.077 19108 15954 1 18 . 1 1 120 120 VAL N N 120 120.001 120.001 112.494 7.507 19108 15955 1 18 . 1 1 120 120 VAL HA H 120 4.526 4.526 5.075 -0.549 19108 15956 1 18 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.614 3.276 19108 15957 1 18 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.130 -2.135 19108 15958 1 18 . 1 1 120 120 VAL H H 120 7.379 7.379 7.193 0.186 19108 15959 1 18 . 1 1 121 121 ARG N N 121 125.312 125.312 123.288 2.024 19108 15960 1 18 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.505 0.305 19108 15961 1 18 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.283 -1.216 19108 15962 1 18 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.197 -0.617 19108 15963 1 18 . 1 1 121 121 ARG H H 121 8.775 8.775 8.285 0.490 19108 15964 1 18 . 1 1 122 122 LEU N N 122 125.483 125.483 126.682 -1.199 19108 15965 1 18 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.778 0.382 19108 15966 1 18 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.272 0.029 19108 15967 1 18 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.692 2.980 19108 15968 1 18 . 1 1 122 122 LEU H H 122 9.345 9.345 8.724 0.621 19108 15969 1 18 . 1 1 123 123 ARG N N 123 127.748 127.748 126.462 1.286 19108 15970 1 18 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.401 0.335 19108 15971 1 18 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.456 -0.289 19108 15972 1 18 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.481 0.331 19108 15973 1 18 . 1 1 123 123 ARG H H 123 9.053 9.053 8.197 0.856 19108 15974 1 18 . 1 1 124 124 ILE N N 124 123.665 123.665 123.903 -0.238 19108 15975 1 18 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.338 0.104 19108 15976 1 18 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.345 0.414 19108 15977 1 18 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.662 1.231 19108 15978 1 18 . 1 1 124 124 ILE H H 124 9.019 9.019 8.541 0.478 19108 15979 1 18 . 1 1 125 125 PHE N N 125 126.320 126.320 126.376 -0.056 19108 15980 1 18 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.418 -0.253 19108 15981 1 18 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.622 0.292 19108 15982 1 18 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.891 -0.072 19108 15983 1 18 . 1 1 125 125 PHE H H 125 9.359 9.359 8.111 1.248 19108 15984 1 18 . 1 1 126 126 ALA N N 126 124.526 124.526 127.728 -3.202 19108 15985 1 18 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.182 0.634 19108 15986 1 18 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.648 -1.778 19108 15987 1 18 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.178 1.156 19108 15988 1 18 . 1 1 126 126 ALA H H 126 9.091 9.091 8.540 0.551 19108 15989 1 18 . 1 1 127 127 ALA N N 127 126.272 126.272 129.219 -2.947 19108 15990 1 18 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.475 0.276 19108 15991 1 18 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.949 1.519 19108 15992 1 18 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.784 -0.179 19108 15993 1 18 . 1 1 127 127 ALA H H 127 9.049 9.049 9.293 -0.244 19108 15994 1 18 . 1 1 128 128 ARG N N 128 108.570 108.570 117.768 -9.198 19108 15995 1 18 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.841 -0.427 19108 15996 1 18 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.556 3.650 19108 15997 1 18 . 1 1 128 128 ARG H H 128 6.741 6.741 7.979 -1.238 19108 15998 1 18 . 1 1 129 129 ILE N N 129 121.285 121.285 122.251 -0.966 19108 15999 1 18 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.205 0.086 19108 16000 1 18 . 1 1 129 129 ILE CA C 129 60.867 60.867 61.046 -0.179 19108 16001 1 18 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.508 0.321 19108 16002 1 18 . 1 1 129 129 ILE H H 129 8.340 8.340 8.325 0.015 19108 16003 1 18 . 1 1 130 130 TYR N N 130 130.143 130.143 126.216 3.927 19108 16004 1 18 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.418 0.917 19108 16005 1 18 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.746 -0.820 19108 16006 1 18 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.596 -2.433 19108 16007 1 18 . 1 1 130 130 TYR H H 130 8.870 8.870 8.428 0.442 19108 16008 1 18 . 1 1 131 131 ASP N N 131 123.662 123.662 123.809 -0.147 19108 16009 1 18 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.038 -1.371 19108 16010 1 18 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.170 0.543 19108 16011 1 18 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.958 -5.057 19108 16012 1 18 . 1 1 131 131 ASP H H 131 8.123 8.123 8.059 0.064 19108 16013 1 18 . 1 1 132 132 TYR N N 132 116.852 116.852 119.339 -2.487 19108 16014 1 18 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.665 -0.750 19108 16015 1 18 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.590 0.878 19108 16016 1 18 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.378 -0.341 19108 16017 1 18 . 1 1 132 132 TYR H H 132 6.448 6.448 8.714 -2.266 19108 16018 1 18 . 1 1 133 133 ASP N N 133 116.930 116.930 120.820 -3.890 19108 16019 1 18 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.236 -2.071 19108 16020 1 18 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.092 1.690 19108 16021 1 18 . 1 1 133 133 ASP H H 133 7.005 7.005 7.850 -0.845 19108 16022 1 18 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.354 -0.251 19108 16023 1 18 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.490 -0.789 19108 16024 1 18 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.926 0.164 19108 16025 1 18 . 1 1 135 135 LEU N N 135 120.252 120.252 118.326 1.926 19108 16026 1 18 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.907 0.791 19108 16027 1 18 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.823 -2.442 19108 16028 1 18 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.347 -1.603 19108 16029 1 18 . 1 1 135 135 LEU H H 135 8.456 8.456 7.952 0.504 19108 16030 1 18 . 1 1 136 136 TYR N N 136 117.432 117.432 119.052 -1.620 19108 16031 1 18 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.985 0.076 19108 16032 1 18 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.105 0.953 19108 16033 1 18 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.262 0.318 19108 16034 1 18 . 1 1 136 136 TYR H H 136 8.028 8.028 7.760 0.268 19108 16035 1 18 . 1 1 137 137 LYS N N 137 122.000 122.000 119.211 2.789 19108 16036 1 18 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.175 1.124 19108 16037 1 18 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.589 -0.791 19108 16038 1 18 . 1 1 137 137 LYS H H 137 7.503 7.503 7.612 -0.109 19108 16039 1 18 . 1 1 138 138 GLU N N 138 121.833 121.833 118.699 3.134 19108 16040 1 18 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.103 0.738 19108 16041 1 18 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.402 -1.933 19108 16042 1 18 . 1 1 138 138 GLU H H 138 8.752 8.752 7.807 0.945 19108 16043 1 18 . 1 1 139 139 ALA N N 139 119.592 119.592 122.632 -3.040 19108 16044 1 18 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.101 -0.255 19108 16045 1 18 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.079 0.061 19108 16046 1 18 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.270 1.985 19108 16047 1 18 . 1 1 139 139 ALA H H 139 7.682 7.682 7.529 0.153 19108 16048 1 18 . 1 1 140 140 LEU N N 140 116.268 116.268 119.301 -3.033 19108 16049 1 18 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.769 0.424 19108 16050 1 18 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.974 -0.879 19108 16051 1 18 . 1 1 140 140 LEU H H 140 7.175 7.175 7.890 -0.715 19108 16052 1 18 . 1 1 141 141 GLN N N 141 117.550 117.550 118.343 -0.793 19108 16053 1 18 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.990 -0.271 19108 16054 1 18 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.913 0.137 19108 16055 1 18 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.808 -1.214 19108 16056 1 18 . 1 1 141 141 GLN H H 141 8.322 8.322 7.590 0.732 19108 16057 1 18 . 1 1 142 142 MET N N 142 118.520 118.520 119.318 -0.798 19108 16058 1 18 . 1 1 142 142 MET HA H 142 4.135 4.135 4.032 0.103 19108 16059 1 18 . 1 1 142 142 MET CA C 142 59.051 59.051 58.742 0.309 19108 16060 1 18 . 1 1 142 142 MET CB C 142 33.170 33.170 32.599 0.571 19108 16061 1 18 . 1 1 142 142 MET H H 142 8.241 8.241 8.083 0.158 19108 16062 1 18 . 1 1 143 143 LEU N N 143 118.659 118.659 117.272 1.387 19108 16063 1 18 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.144 0.148 19108 16064 1 18 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.056 1.059 19108 16065 1 18 . 1 1 143 143 LEU CB C 143 41.377 41.377 42.081 -0.705 19108 16066 1 18 . 1 1 143 143 LEU H H 143 7.932 7.932 8.085 -0.153 19108 16067 1 18 . 1 1 144 144 ARG N N 144 121.294 121.294 120.470 0.824 19108 16068 1 18 . 1 1 144 144 ARG HA H 144 4.426 4.426 4.009 0.417 19108 16069 1 18 . 1 1 144 144 ARG CA C 144 58.989 58.989 58.686 0.303 19108 16070 1 18 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.242 -1.134 19108 16071 1 18 . 1 1 144 144 ARG H H 144 7.968 7.968 7.660 0.308 19108 16072 1 18 . 1 1 145 145 ASP N N 145 122.553 122.553 118.439 4.114 19108 16073 1 18 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.571 -0.142 19108 16074 1 18 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.510 1.068 19108 16075 1 18 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.682 -1.092 19108 16076 1 18 . 1 1 145 145 ASP H H 145 8.868 8.868 7.768 1.100 19108 16077 1 18 . 1 1 146 146 ALA N N 146 120.102 120.102 120.336 -0.234 19108 16078 1 18 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.554 -0.136 19108 16079 1 18 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.157 -0.123 19108 16080 1 18 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.690 -0.395 19108 16081 1 18 . 1 1 146 146 ALA H H 146 7.737 7.737 7.975 -0.238 19108 16082 1 18 . 1 1 147 147 GLY N N 147 105.039 105.039 105.817 -0.778 19108 16083 1 18 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.739 0.125 19108 16084 1 18 . 1 1 147 147 GLY H H 147 7.966 7.966 7.599 0.367 19108 16085 1 18 . 1 1 148 148 ALA N N 148 124.181 124.181 124.120 0.061 19108 16086 1 18 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.681 0.008 19108 16087 1 18 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.235 0.224 19108 16088 1 18 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.139 -1.660 19108 16089 1 18 . 1 1 148 148 ALA H H 148 8.051 8.051 7.426 0.625 19108 16090 1 18 . 1 1 149 149 GLN N N 149 122.185 122.185 121.644 0.541 19108 16091 1 18 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.459 -0.020 19108 16092 1 18 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.187 -0.232 19108 16093 1 18 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.647 -1.226 19108 16094 1 18 . 1 1 149 149 GLN H H 149 7.953 7.953 7.920 0.033 19108 16095 1 18 . 1 1 150 150 VAL N N 150 127.399 127.399 123.981 3.418 19108 16096 1 18 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.775 -0.023 19108 16097 1 18 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.874 0.565 19108 16098 1 18 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.211 -0.033 19108 16099 1 18 . 1 1 150 150 VAL H H 150 8.658 8.658 8.230 0.428 19108 16100 1 18 . 1 1 151 151 SER N N 151 120.616 120.616 122.419 -1.803 19108 16101 1 18 . 1 1 151 151 SER HA H 151 5.179 5.179 4.796 0.383 19108 16102 1 18 . 1 1 151 151 SER CA C 151 56.981 56.981 55.717 1.264 19108 16103 1 18 . 1 1 151 151 SER CB C 151 66.538 66.538 66.134 0.404 19108 16104 1 18 . 1 1 151 151 SER H H 151 8.737 8.737 8.237 0.500 19108 16105 1 18 . 1 1 152 152 ILE N N 152 123.180 123.180 123.658 -0.478 19108 16106 1 18 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.636 0.511 19108 16107 1 18 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.457 -3.939 19108 16108 1 18 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.657 -1.577 19108 16109 1 18 . 1 1 152 152 ILE H H 152 8.672 8.672 8.625 0.047 19108 16110 1 18 . 1 1 153 153 MET N N 153 123.477 123.477 129.243 -5.766 19108 16111 1 18 . 1 1 153 153 MET HA H 153 3.886 3.886 4.302 -0.416 19108 16112 1 18 . 1 1 153 153 MET CA C 153 59.053 59.053 56.392 2.661 19108 16113 1 18 . 1 1 153 153 MET CB C 153 34.793 34.793 32.069 2.724 19108 16114 1 18 . 1 1 153 153 MET H H 153 8.314 8.314 8.214 0.100 19108 16115 1 18 . 1 1 154 154 THR N N 154 117.621 117.621 117.846 -0.225 19108 16116 1 18 . 1 1 154 154 THR HA H 154 4.951 4.951 4.507 0.444 19108 16117 1 18 . 1 1 154 154 THR CA C 154 60.436 60.436 60.844 -0.408 19108 16118 1 18 . 1 1 154 154 THR CB C 154 72.370 72.370 70.816 1.554 19108 16119 1 18 . 1 1 154 154 THR H H 154 9.630 9.630 7.666 1.964 19108 16120 1 18 . 1 1 155 155 TYR N N 155 121.751 121.751 123.487 -1.736 19108 16121 1 18 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.105 -0.006 19108 16122 1 18 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.282 3.158 19108 16123 1 18 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.162 1.124 19108 16124 1 18 . 1 1 155 155 TYR H H 155 9.769 9.769 9.239 0.530 19108 16125 1 18 . 1 1 156 156 ASP N N 156 115.555 115.555 117.785 -2.230 19108 16126 1 18 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.847 0.261 19108 16127 1 18 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.948 0.312 19108 16128 1 18 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.336 0.282 19108 16129 1 18 . 1 1 156 156 ASP H H 156 8.230 8.230 8.358 -0.128 19108 16130 1 18 . 1 1 157 157 GLU N N 157 117.678 117.678 119.253 -1.575 19108 16131 1 18 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.008 -0.138 19108 16132 1 18 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.223 1.284 19108 16133 1 18 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.252 1.796 19108 16134 1 18 . 1 1 157 157 GLU H H 157 7.470 7.470 7.636 -0.166 19108 16135 1 18 . 1 1 158 158 PHE N N 158 119.869 119.869 120.720 -0.851 19108 16136 1 18 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.921 -0.092 19108 16137 1 18 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.581 1.195 19108 16138 1 18 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.657 1.250 19108 16139 1 18 . 1 1 158 158 PHE H H 158 8.077 8.077 8.297 -0.220 19108 16140 1 18 . 1 1 159 159 LYS N N 159 118.859 118.859 119.223 -0.364 19108 16141 1 18 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.743 0.174 19108 16142 1 18 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.833 -0.602 19108 16143 1 18 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.373 -0.410 19108 16144 1 18 . 1 1 159 159 LYS H H 159 8.273 8.273 7.572 0.701 19108 16145 1 18 . 1 1 160 160 HIS N N 160 115.889 115.889 119.057 -3.168 19108 16146 1 18 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.215 -0.056 19108 16147 1 18 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.101 0.880 19108 16148 1 18 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.383 -1.453 19108 16149 1 18 . 1 1 160 160 HIS H H 160 7.695 7.695 7.695 0.000 19108 16150 1 18 . 1 1 161 161 CYS N N 161 118.188 118.188 117.799 0.389 19108 16151 1 18 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.042 0.747 19108 16152 1 18 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.064 0.730 19108 16153 1 18 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.433 1.453 19108 16154 1 18 . 1 1 161 161 CYS H H 161 7.885 7.885 7.651 0.234 19108 16155 1 18 . 1 1 162 162 TRP N N 162 122.741 122.741 121.719 1.022 19108 16156 1 18 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.477 0.287 19108 16157 1 18 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.489 0.228 19108 16158 1 18 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.840 -0.247 19108 16159 1 18 . 1 1 162 162 TRP H H 162 8.040 8.040 7.880 0.160 19108 16160 1 18 . 1 1 163 163 ASP N N 163 113.796 113.796 118.330 -4.534 19108 16161 1 18 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.868 0.258 19108 16162 1 18 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.906 1.023 19108 16163 1 18 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.291 0.244 19108 16164 1 18 . 1 1 163 163 ASP H H 163 8.319 8.319 8.051 0.268 19108 16165 1 18 . 1 1 164 164 THR N N 164 112.008 112.008 113.963 -1.955 19108 16166 1 18 . 1 1 164 164 THR HA H 164 3.803 3.803 4.046 -0.243 19108 16167 1 18 . 1 1 164 164 THR CA C 164 65.164 65.164 64.637 0.527 19108 16168 1 18 . 1 1 164 164 THR CB C 164 70.171 70.171 69.156 1.015 19108 16169 1 18 . 1 1 164 164 THR H H 164 7.494 7.494 7.719 -0.225 19108 16170 1 18 . 1 1 165 165 PHE N N 165 115.079 115.079 118.217 -3.138 19108 16171 1 18 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.469 0.066 19108 16172 1 18 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.661 0.308 19108 16173 1 18 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.434 -0.067 19108 16174 1 18 . 1 1 165 165 PHE H H 165 8.235 8.235 7.298 0.936 19108 16175 1 18 . 1 1 166 166 VAL N N 166 118.432 118.432 118.181 0.251 19108 16176 1 18 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.163 -0.138 19108 16177 1 18 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.981 1.020 19108 16178 1 18 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.714 -3.358 19108 16179 1 18 . 1 1 166 166 VAL H H 166 6.838 6.838 7.113 -0.275 19108 16180 1 18 . 1 1 167 167 ASP N N 167 126.263 126.263 123.989 2.274 19108 16181 1 18 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.421 -0.573 19108 16182 1 18 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.166 -2.536 19108 16183 1 18 . 1 1 167 167 ASP CB C 167 38.080 38.080 40.174 -2.094 19108 16184 1 18 . 1 1 167 167 ASP H H 167 8.498 8.498 7.981 0.517 19108 16185 1 18 . 1 1 168 168 HIS N N 168 119.890 119.890 117.845 2.045 19108 16186 1 18 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.249 0.097 19108 16187 1 18 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.419 -1.844 19108 16188 1 18 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.161 2.301 19108 16189 1 18 . 1 1 168 168 HIS H H 168 6.977 6.977 7.313 -0.336 19108 16190 1 18 . 1 1 169 169 GLN N N 169 119.254 119.254 115.626 3.628 19108 16191 1 18 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.057 -0.334 19108 16192 1 18 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.605 0.165 19108 16193 1 18 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.420 -0.899 19108 16194 1 18 . 1 1 169 169 GLN H H 169 9.126 9.126 8.894 0.232 19108 16195 1 18 . 1 1 170 170 GLY N N 170 111.911 111.911 101.511 10.400 19108 16196 1 18 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.321 0.503 19108 16197 1 18 . 1 1 170 170 GLY H H 170 11.556 11.556 5.289 6.267 19108 16198 1 18 . 1 1 171 171 CYS N N 171 123.390 123.390 121.358 2.032 19108 16199 1 18 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.920 -0.204 19108 16200 1 18 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.879 1.906 19108 16201 1 18 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.986 -1.082 19108 16202 1 18 . 1 1 171 171 CYS H H 171 8.044 8.044 6.866 1.178 19108 16203 1 18 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.480 0.138 19108 16204 1 18 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.133 -1.275 19108 16205 1 18 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.244 0.285 19108 16206 1 18 . 1 1 173 173 PHE N N 173 121.101 121.101 119.488 1.613 19108 16207 1 18 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.983 -0.327 19108 16208 1 18 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.240 -0.699 19108 16209 1 18 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.594 -0.849 19108 16210 1 18 . 1 1 173 173 PHE H H 173 8.842 8.842 8.286 0.556 19108 16211 1 18 . 1 1 174 174 GLN N N 174 129.493 129.493 125.682 3.811 19108 16212 1 18 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.117 0.200 19108 16213 1 18 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.199 -0.404 19108 16214 1 18 . 1 1 174 174 GLN CB C 174 29.097 29.097 27.874 1.223 19108 16215 1 18 . 1 1 174 174 GLN H H 174 7.250 7.250 7.016 0.234 19108 16216 1 18 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.346 -0.432 19108 16217 1 18 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.450 -0.027 19108 16218 1 18 . 1 1 176 176 TRP N N 176 118.133 118.133 120.650 -2.517 19108 16219 1 18 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.762 -0.129 19108 16220 1 18 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.641 0.521 19108 16221 1 18 . 1 1 176 176 TRP CB C 176 28.889 28.889 30.110 -1.220 19108 16222 1 18 . 1 1 176 176 TRP H H 176 5.591 5.591 6.865 -1.274 19108 16223 1 18 . 1 1 177 177 ASP N N 177 121.814 121.814 125.333 -3.519 19108 16224 1 18 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.241 0.156 19108 16225 1 18 . 1 1 177 177 ASP CA C 177 56.172 56.172 56.568 -0.396 19108 16226 1 18 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.349 0.326 19108 16227 1 18 . 1 1 177 177 ASP H H 177 8.848 8.848 8.966 -0.118 19108 16228 1 18 . 1 1 178 178 GLY N N 178 111.875 111.875 112.738 -0.863 19108 16229 1 18 . 1 1 178 178 GLY CA C 178 45.666 45.666 44.907 0.759 19108 16230 1 18 . 1 1 178 178 GLY H H 178 8.987 8.987 7.790 1.197 19108 16231 1 18 . 1 1 179 179 LEU N N 179 121.470 121.470 123.100 -1.630 19108 16232 1 18 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.248 0.240 19108 16233 1 18 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.929 1.853 19108 16234 1 18 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.818 0.411 19108 16235 1 18 . 1 1 179 179 LEU H H 179 7.148 7.148 8.619 -1.471 19108 16236 1 18 . 1 1 180 180 ASP N N 180 119.476 119.476 117.764 1.712 19108 16237 1 18 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.147 0.345 19108 16238 1 18 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.703 0.236 19108 16239 1 18 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.685 1.028 19108 16240 1 18 . 1 1 180 180 ASP H H 180 8.874 8.874 8.677 0.197 19108 16241 1 18 . 1 1 181 181 GLU N N 181 122.379 122.379 119.738 2.641 19108 16242 1 18 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.955 0.057 19108 16243 1 18 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.236 0.733 19108 16244 1 18 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.541 -0.615 19108 16245 1 18 . 1 1 181 181 GLU H H 181 8.712 8.712 7.753 0.959 19108 16246 1 18 . 1 1 182 182 HIS N N 182 118.572 118.572 118.208 0.364 19108 16247 1 18 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.330 0.424 19108 16248 1 18 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.839 0.190 19108 16249 1 18 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.420 -0.572 19108 16250 1 18 . 1 1 182 182 HIS H H 182 8.854 8.854 8.026 0.828 19108 16251 1 18 . 1 1 183 183 SER N N 183 116.329 116.329 114.203 2.126 19108 16252 1 18 . 1 1 183 183 SER HA H 183 4.554 4.554 4.280 0.274 19108 16253 1 18 . 1 1 183 183 SER CA C 183 63.604 63.604 61.998 1.606 19108 16254 1 18 . 1 1 183 183 SER CB C 183 65.216 65.216 62.702 2.514 19108 16255 1 18 . 1 1 183 183 SER H H 183 8.665 8.665 8.691 -0.026 19108 16256 1 18 . 1 1 184 184 GLN N N 184 122.215 122.215 121.909 0.306 19108 16257 1 18 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.120 0.127 19108 16258 1 18 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.832 0.128 19108 16259 1 18 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.673 0.262 19108 16260 1 18 . 1 1 184 184 GLN H H 184 8.714 8.714 7.849 0.865 19108 16261 1 18 . 1 1 185 185 ALA N N 185 124.432 124.432 123.255 1.177 19108 16262 1 18 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.057 0.227 19108 16263 1 18 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.181 0.288 19108 16264 1 18 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.163 0.211 19108 16265 1 18 . 1 1 185 185 ALA H H 185 8.258 8.258 7.767 0.491 19108 16266 1 18 . 1 1 186 186 LEU N N 186 119.941 119.941 118.265 1.676 19108 16267 1 18 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.904 0.308 19108 16268 1 18 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.808 0.408 19108 16269 1 18 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.438 1.326 19108 16270 1 18 . 1 1 186 186 LEU H H 186 8.953 8.953 7.836 1.117 19108 16271 1 18 . 1 1 187 187 SER N N 187 116.987 116.987 114.355 2.632 19108 16272 1 18 . 1 1 187 187 SER HA H 187 4.039 4.039 4.121 -0.082 19108 16273 1 18 . 1 1 187 187 SER CA C 187 63.302 63.302 61.498 1.804 19108 16274 1 18 . 1 1 187 187 SER CB C 187 62.760 62.760 61.972 0.788 19108 16275 1 18 . 1 1 187 187 SER H H 187 8.935 8.935 8.567 0.368 19108 16276 1 18 . 1 1 188 188 GLY N N 188 110.215 110.215 109.597 0.618 19108 16277 1 18 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.511 0.643 19108 16278 1 18 . 1 1 188 188 GLY H H 188 8.228 8.228 8.226 0.002 19108 16279 1 18 . 1 1 189 189 ARG N N 189 122.994 122.994 122.689 0.305 19108 16280 1 18 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.121 0.116 19108 16281 1 18 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.344 1.215 19108 16282 1 18 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.499 0.896 19108 16283 1 18 . 1 1 189 189 ARG H H 189 7.838 7.838 7.850 -0.012 19108 16284 1 18 . 1 1 190 190 LEU N N 190 119.765 119.765 120.926 -1.161 19108 16285 1 18 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.188 0.050 19108 16286 1 18 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.810 0.409 19108 16287 1 18 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.907 -0.665 19108 16288 1 18 . 1 1 190 190 LEU H H 190 8.791 8.791 7.920 0.871 19108 16289 1 18 . 1 1 191 191 ARG N N 191 118.427 118.427 117.717 0.710 19108 16290 1 18 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.974 0.069 19108 16291 1 18 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.206 0.576 19108 16292 1 18 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.065 0.126 19108 16293 1 18 . 1 1 191 191 ARG H H 191 8.305 8.305 7.974 0.331 19108 16294 1 18 . 1 1 192 192 ALA N N 192 119.414 119.414 121.218 -1.804 19108 16295 1 18 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.345 -0.128 19108 16296 1 18 . 1 1 192 192 ALA CA C 192 54.716 54.716 53.839 0.877 19108 16297 1 18 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.864 -0.699 19108 16298 1 18 . 1 1 192 192 ALA H H 192 7.414 7.414 7.445 -0.031 19108 16299 1 18 . 1 1 193 193 ILE N N 193 118.949 118.949 120.252 -1.303 19108 16300 1 18 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.790 -0.020 19108 16301 1 18 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.204 0.634 19108 16302 1 18 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.403 1.043 19108 16303 1 18 . 1 1 193 193 ILE H H 193 7.896 7.896 8.345 -0.449 19108 16304 1 18 . 1 1 194 194 LEU N N 194 116.435 116.435 117.021 -0.586 19108 16305 1 18 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.346 -0.073 19108 16306 1 18 . 1 1 194 194 LEU CA C 194 55.713 55.713 54.484 1.229 19108 16307 1 18 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.269 -1.798 19108 16308 1 18 . 1 1 194 194 LEU H H 194 8.296 8.296 7.645 0.651 19108 16309 1 18 . 1 1 195 195 GLN N N 195 118.580 118.580 117.905 0.675 19108 16310 1 18 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.038 0.297 19108 16311 1 18 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.667 -0.250 19108 16312 1 18 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.094 1.504 19108 16313 1 18 . 1 1 195 195 GLN H H 195 7.921 7.921 8.177 -0.256 19108 16314 1 18 . 1 1 196 196 ASN N N 196 118.941 118.941 121.837 -2.896 19108 16315 1 18 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.668 0.034 19108 16316 1 18 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.019 0.431 19108 16317 1 18 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.257 -0.432 19108 16318 1 18 . 1 1 196 196 ASN H H 196 8.078 8.078 8.507 -0.429 19108 16319 1 18 . 1 1 197 197 GLN N N 197 120.984 120.984 120.413 0.571 19108 16320 1 18 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.377 -0.021 19108 16321 1 18 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.179 -0.013 19108 16322 1 18 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.811 -0.315 19108 16323 1 18 . 1 1 197 197 GLN H H 197 8.526 8.526 8.313 0.213 19108 16324 1 18 . 1 1 198 198 GLY N N 198 109.565 109.565 114.318 -4.753 19108 16325 1 18 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.322 0.062 19108 16326 1 18 . 1 1 198 198 GLY H H 198 8.467 8.467 8.992 -0.524 19108 16327 1 19 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.521 -0.147 19108 16328 1 19 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.665 -0.317 19108 16329 1 19 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.702 0.751 19108 16330 1 19 . 1 1 3 3 ALA N N 3 125.932 125.932 127.476 -1.544 19108 16331 1 19 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.371 -0.021 19108 16332 1 19 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.974 0.433 19108 16333 1 19 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.540 0.040 19108 16334 1 19 . 1 1 3 3 ALA H H 3 8.526 8.526 8.606 -0.080 19108 16335 1 19 . 1 1 4 4 SER N N 4 116.729 116.729 117.172 -0.443 19108 16336 1 19 . 1 1 4 4 SER HA H 4 4.766 4.766 4.626 0.140 19108 16337 1 19 . 1 1 4 4 SER CA C 4 56.283 56.283 57.307 -1.024 19108 16338 1 19 . 1 1 4 4 SER CB C 4 63.278 63.278 64.078 -0.800 19108 16339 1 19 . 1 1 4 4 SER H H 4 8.397 8.397 8.216 0.181 19108 16340 1 19 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.433 0.013 19108 16341 1 19 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.527 -0.221 19108 16342 1 19 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.919 0.178 19108 16343 1 19 . 1 1 6 6 ALA N N 6 124.236 124.236 124.562 -0.326 19108 16344 1 19 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.387 -0.054 19108 16345 1 19 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.255 0.308 19108 16346 1 19 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.581 -0.247 19108 16347 1 19 . 1 1 6 6 ALA H H 6 8.411 8.411 7.917 0.494 19108 16348 1 19 . 1 1 7 7 SER N N 7 114.497 114.497 120.191 -5.694 19108 16349 1 19 . 1 1 7 7 SER HA H 7 4.475 4.475 4.425 0.050 19108 16350 1 19 . 1 1 7 7 SER CA C 7 58.258 58.258 58.341 -0.083 19108 16351 1 19 . 1 1 7 7 SER CB C 7 64.174 64.174 63.776 0.398 19108 16352 1 19 . 1 1 7 7 SER H H 7 8.195 8.195 8.404 -0.209 19108 16353 1 19 . 1 1 8 8 GLY N N 8 110.497 110.497 112.754 -2.257 19108 16354 1 19 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.783 0.063 19108 16355 1 19 . 1 1 8 8 GLY H H 8 8.226 8.226 8.409 -0.183 19108 16356 1 19 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.284 0.165 19108 16357 1 19 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.138 0.296 19108 16358 1 19 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.894 0.299 19108 16359 1 19 . 1 1 10 10 ARG N N 10 120.534 120.534 123.863 -3.329 19108 16360 1 19 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.423 -0.082 19108 16361 1 19 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.631 0.385 19108 16362 1 19 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.159 -0.350 19108 16363 1 19 . 1 1 10 10 ARG H H 10 8.469 8.469 8.333 0.136 19108 16364 1 19 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.719 0.106 19108 16365 1 19 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.424 0.037 19108 16366 1 19 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.154 0.037 19108 16367 1 19 . 1 1 12 12 LEU N N 12 122.284 122.284 124.286 -2.002 19108 16368 1 19 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.007 0.602 19108 16369 1 19 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.657 1.373 19108 16370 1 19 . 1 1 12 12 LEU H H 12 8.250 8.250 8.076 0.174 19108 16371 1 19 . 1 1 13 13 MET N N 13 121.493 121.493 119.235 2.258 19108 16372 1 19 . 1 1 13 13 MET HA H 13 4.038 4.038 4.417 -0.379 19108 16373 1 19 . 1 1 13 13 MET CA C 13 54.449 54.449 55.788 -1.339 19108 16374 1 19 . 1 1 13 13 MET CB C 13 35.015 35.015 33.496 1.519 19108 16375 1 19 . 1 1 13 13 MET H H 13 8.955 8.955 8.009 0.946 19108 16376 1 19 . 1 1 14 14 ASP N N 14 127.113 127.113 121.199 5.914 19108 16377 1 19 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.903 -0.803 19108 16378 1 19 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.859 -0.403 19108 16379 1 19 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.747 1.763 19108 16380 1 19 . 1 1 14 14 ASP H H 14 8.514 8.514 8.579 -0.065 19108 16381 1 19 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.213 -0.360 19108 16382 1 19 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.807 -0.153 19108 16383 1 19 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.152 -0.501 19108 16384 1 19 . 1 1 16 16 HIS N N 16 115.776 115.776 117.158 -1.382 19108 16385 1 19 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.392 -0.114 19108 16386 1 19 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.208 -1.290 19108 16387 1 19 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.635 -0.427 19108 16388 1 19 . 1 1 16 16 HIS H H 16 8.591 8.591 8.590 0.001 19108 16389 1 19 . 1 1 17 17 ILE N N 17 122.675 122.675 118.798 3.877 19108 16390 1 19 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.721 -0.237 19108 16391 1 19 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.665 -1.439 19108 16392 1 19 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.074 -0.977 19108 16393 1 19 . 1 1 17 17 ILE H H 17 7.558 7.558 8.303 -0.745 19108 16394 1 19 . 1 1 18 18 PHE N N 18 120.513 120.513 121.304 -0.791 19108 16395 1 19 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.194 -0.191 19108 16396 1 19 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.572 0.232 19108 16397 1 19 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.257 0.383 19108 16398 1 19 . 1 1 18 18 PHE H H 18 7.831 7.831 8.394 -0.563 19108 16399 1 19 . 1 1 19 19 THR N N 19 114.555 114.555 115.689 -1.134 19108 16400 1 19 . 1 1 19 19 THR HA H 19 3.657 3.657 4.202 -0.545 19108 16401 1 19 . 1 1 19 19 THR CA C 19 66.485 66.485 66.556 -0.071 19108 16402 1 19 . 1 1 19 19 THR CB C 19 68.345 68.345 68.563 -0.218 19108 16403 1 19 . 1 1 19 19 THR H H 19 9.036 9.036 8.679 0.357 19108 16404 1 19 . 1 1 20 20 SER N N 20 113.030 113.030 118.370 -5.340 19108 16405 1 19 . 1 1 20 20 SER HA H 20 4.062 4.062 4.036 0.026 19108 16406 1 19 . 1 1 20 20 SER CA C 20 60.610 60.610 61.733 -1.123 19108 16407 1 19 . 1 1 20 20 SER CB C 20 63.843 63.843 62.497 1.346 19108 16408 1 19 . 1 1 20 20 SER H H 20 7.809 7.809 8.738 -0.929 19108 16409 1 19 . 1 1 21 21 ASN N N 21 115.629 115.629 117.908 -2.279 19108 16410 1 19 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.307 0.104 19108 16411 1 19 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.434 2.555 19108 16412 1 19 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.065 3.515 19108 16413 1 19 . 1 1 21 21 ASN H H 21 7.362 7.362 7.510 -0.148 19108 16414 1 19 . 1 1 22 22 PHE N N 22 117.773 117.773 114.104 3.669 19108 16415 1 19 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.640 -0.367 19108 16416 1 19 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.020 -0.560 19108 16417 1 19 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.431 -1.601 19108 16418 1 19 . 1 1 22 22 PHE H H 22 8.296 8.296 7.336 0.960 19108 16419 1 19 . 1 1 23 23 ASN N N 23 115.026 115.026 121.112 -6.086 19108 16420 1 19 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.791 -0.262 19108 16421 1 19 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.164 0.478 19108 16422 1 19 . 1 1 23 23 ASN CB C 23 36.623 36.623 37.913 -1.290 19108 16423 1 19 . 1 1 23 23 ASN H H 23 6.097 6.097 7.475 -1.378 19108 16424 1 19 . 1 1 24 24 ASN N N 24 122.900 122.900 121.506 1.394 19108 16425 1 19 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.310 0.123 19108 16426 1 19 . 1 1 24 24 ASN CA C 24 53.273 53.273 55.066 -1.793 19108 16427 1 19 . 1 1 24 24 ASN CB C 24 37.892 37.892 36.933 0.959 19108 16428 1 19 . 1 1 24 24 ASN H H 24 7.083 7.083 8.045 -0.962 19108 16429 1 19 . 1 1 25 25 GLY N N 25 105.587 105.587 108.438 -2.851 19108 16430 1 19 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.907 -0.042 19108 16431 1 19 . 1 1 25 25 GLY H H 25 8.520 8.520 8.288 0.232 19108 16432 1 19 . 1 1 26 26 ILE N N 26 120.182 120.182 115.001 5.181 19108 16433 1 19 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.327 -0.153 19108 16434 1 19 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.060 1.383 19108 16435 1 19 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.312 1.203 19108 16436 1 19 . 1 1 26 26 ILE H H 26 6.944 6.944 7.718 -0.774 19108 16437 1 19 . 1 1 27 27 GLY N N 27 111.665 111.665 108.128 3.537 19108 16438 1 19 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.880 0.439 19108 16439 1 19 . 1 1 27 27 GLY H H 27 8.457 8.457 8.269 0.188 19108 16440 1 19 . 1 1 28 28 ARG N N 28 117.565 117.565 119.552 -1.987 19108 16441 1 19 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.388 -1.823 19108 16442 1 19 . 1 1 28 28 ARG H H 28 6.741 6.741 8.718 -1.977 19108 16443 1 19 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.408 1.595 19108 16444 1 19 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.072 0.972 19108 16445 1 19 . 1 1 29 29 HIS H H 29 8.636 8.636 8.713 -0.077 19108 16446 1 19 . 1 1 30 30 LYS N N 30 119.344 119.344 118.295 1.049 19108 16447 1 19 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.211 0.210 19108 16448 1 19 . 1 1 30 30 LYS CA C 30 56.864 56.864 54.824 2.040 19108 16449 1 19 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.680 1.511 19108 16450 1 19 . 1 1 30 30 LYS H H 30 7.870 7.870 7.646 0.224 19108 16451 1 19 . 1 1 31 31 THR N N 31 118.233 118.233 113.348 4.885 19108 16452 1 19 . 1 1 31 31 THR HA H 31 4.125 4.125 3.572 0.553 19108 16453 1 19 . 1 1 31 31 THR CA C 31 63.175 63.175 63.158 0.017 19108 16454 1 19 . 1 1 31 31 THR H H 31 8.436 8.436 7.029 1.407 19108 16455 1 19 . 1 1 32 32 TYR N N 32 124.026 124.026 124.745 -0.719 19108 16456 1 19 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.989 -0.053 19108 16457 1 19 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.764 -0.263 19108 16458 1 19 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.273 2.131 19108 16459 1 19 . 1 1 32 32 TYR H H 32 8.244 8.244 8.598 -0.354 19108 16460 1 19 . 1 1 33 33 LEU N N 33 125.428 125.428 123.562 1.866 19108 16461 1 19 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.367 -0.288 19108 16462 1 19 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.241 1.597 19108 16463 1 19 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.742 1.242 19108 16464 1 19 . 1 1 33 33 LEU H H 33 9.232 9.232 9.165 0.067 19108 16465 1 19 . 1 1 34 34 CYS N N 34 125.975 125.975 125.298 0.677 19108 16466 1 19 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.925 0.081 19108 16467 1 19 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.187 0.958 19108 16468 1 19 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.747 1.554 19108 16469 1 19 . 1 1 34 34 CYS H H 34 9.640 9.640 9.005 0.635 19108 16470 1 19 . 1 1 35 35 TYR N N 35 121.183 121.183 122.941 -1.758 19108 16471 1 19 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.489 0.999 19108 16472 1 19 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.976 -0.194 19108 16473 1 19 . 1 1 35 35 TYR CB C 35 43.090 43.090 39.720 3.370 19108 16474 1 19 . 1 1 35 35 TYR H H 35 9.094 9.094 8.449 0.645 19108 16475 1 19 . 1 1 36 36 GLU N N 36 115.538 115.538 122.905 -7.367 19108 16476 1 19 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.905 0.530 19108 16477 1 19 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.575 0.816 19108 16478 1 19 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.796 -0.252 19108 16479 1 19 . 1 1 36 36 GLU H H 36 8.977 8.977 9.007 -0.030 19108 16480 1 19 . 1 1 37 37 VAL N N 37 121.600 121.600 123.933 -2.333 19108 16481 1 19 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.952 0.207 19108 16482 1 19 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.765 1.283 19108 16483 1 19 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.390 0.680 19108 16484 1 19 . 1 1 37 37 VAL H H 37 9.271 9.271 8.809 0.462 19108 16485 1 19 . 1 1 38 38 GLU N N 38 125.227 125.227 124.928 0.299 19108 16486 1 19 . 1 1 38 38 GLU HA H 38 5.218 5.218 4.974 0.244 19108 16487 1 19 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.781 -0.529 19108 16488 1 19 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.001 0.926 19108 16489 1 19 . 1 1 38 38 GLU H H 38 9.114 9.114 8.475 0.639 19108 16490 1 19 . 1 1 39 39 ARG N N 39 124.872 124.872 122.201 2.671 19108 16491 1 19 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.190 1.175 19108 16492 1 19 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.098 0.149 19108 16493 1 19 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.724 0.841 19108 16494 1 19 . 1 1 39 39 ARG H H 39 9.215 9.215 8.284 0.931 19108 16495 1 19 . 1 1 40 40 LEU N N 40 126.510 126.510 124.519 1.991 19108 16496 1 19 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.738 0.015 19108 16497 1 19 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.448 -0.125 19108 16498 1 19 . 1 1 40 40 LEU CB C 40 40.843 40.843 44.185 -3.342 19108 16499 1 19 . 1 1 40 40 LEU H H 40 8.659 8.659 7.817 0.842 19108 16500 1 19 . 1 1 41 41 ASP N N 41 124.410 124.410 123.720 0.690 19108 16501 1 19 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.910 -0.117 19108 16502 1 19 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.897 -0.679 19108 16503 1 19 . 1 1 41 41 ASP CB C 41 41.733 41.733 43.785 -2.052 19108 16504 1 19 . 1 1 41 41 ASP H H 41 8.575 8.575 8.557 0.018 19108 16505 1 19 . 1 1 42 42 ASN N N 42 123.319 123.319 123.285 0.034 19108 16506 1 19 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.336 0.084 19108 16507 1 19 . 1 1 42 42 ASN CA C 42 54.173 54.173 52.892 1.281 19108 16508 1 19 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.464 -0.617 19108 16509 1 19 . 1 1 42 42 ASN H H 42 9.048 9.048 9.017 0.031 19108 16510 1 19 . 1 1 43 43 GLY N N 43 106.044 106.044 103.883 2.161 19108 16511 1 19 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.716 -0.322 19108 16512 1 19 . 1 1 43 43 GLY H H 43 8.548 8.548 8.481 0.067 19108 16513 1 19 . 1 1 44 44 THR N N 44 115.893 115.893 120.533 -4.640 19108 16514 1 19 . 1 1 44 44 THR HA H 44 4.524 4.524 4.138 0.386 19108 16515 1 19 . 1 1 44 44 THR CA C 44 61.285 61.285 63.304 -2.019 19108 16516 1 19 . 1 1 44 44 THR CB C 44 70.572 70.572 68.842 1.730 19108 16517 1 19 . 1 1 44 44 THR H H 44 7.833 7.833 7.759 0.074 19108 16518 1 19 . 1 1 45 45 SER N N 45 119.589 119.589 123.980 -4.391 19108 16519 1 19 . 1 1 45 45 SER HA H 45 4.804 4.804 5.122 -0.318 19108 16520 1 19 . 1 1 45 45 SER CA C 45 58.080 58.080 58.372 -0.292 19108 16521 1 19 . 1 1 45 45 SER CB C 45 64.265 64.265 64.056 0.209 19108 16522 1 19 . 1 1 45 45 SER H H 45 8.590 8.590 8.624 -0.034 19108 16523 1 19 . 1 1 46 46 VAL N N 46 125.827 125.827 128.324 -2.497 19108 16524 1 19 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.243 0.050 19108 16525 1 19 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.139 0.704 19108 16526 1 19 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.611 0.906 19108 16527 1 19 . 1 1 46 46 VAL H H 46 9.034 9.034 8.464 0.570 19108 16528 1 19 . 1 1 47 47 LYS N N 47 126.528 126.528 126.813 -0.285 19108 16529 1 19 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.386 -0.101 19108 16530 1 19 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.853 1.812 19108 16531 1 19 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.072 -0.280 19108 16532 1 19 . 1 1 47 47 LYS H H 47 8.738 8.738 8.412 0.326 19108 16533 1 19 . 1 1 48 48 MET N N 48 122.645 122.645 122.208 0.437 19108 16534 1 19 . 1 1 48 48 MET HA H 48 5.195 5.195 4.680 0.515 19108 16535 1 19 . 1 1 48 48 MET CA C 48 54.747 54.747 55.165 -0.418 19108 16536 1 19 . 1 1 48 48 MET CB C 48 32.379 32.379 34.457 -2.078 19108 16537 1 19 . 1 1 48 48 MET H H 48 8.334 8.334 8.116 0.218 19108 16538 1 19 . 1 1 49 49 ASP N N 49 123.713 123.713 122.113 1.600 19108 16539 1 19 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.510 -0.086 19108 16540 1 19 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.598 0.012 19108 16541 1 19 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.957 0.077 19108 16542 1 19 . 1 1 49 49 ASP H H 49 8.575 8.575 8.852 -0.277 19108 16543 1 19 . 1 1 50 50 GLN N N 50 117.540 117.540 118.540 -1.000 19108 16544 1 19 . 1 1 50 50 GLN H H 50 9.110 9.110 8.574 0.536 19108 16545 1 19 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.781 0.370 19108 16546 1 19 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.722 -1.888 19108 16547 1 19 . 1 1 51 51 HIS H H 51 8.031 8.031 8.160 -0.129 19108 16548 1 19 . 1 1 52 52 ARG N N 52 117.888 117.888 120.319 -2.431 19108 16549 1 19 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.517 0.720 19108 16550 1 19 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.440 -0.385 19108 16551 1 19 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.160 0.894 19108 16552 1 19 . 1 1 52 52 ARG H H 52 7.685 7.685 7.403 0.282 19108 16553 1 19 . 1 1 53 53 GLY N N 53 108.573 108.573 107.141 1.432 19108 16554 1 19 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.229 0.479 19108 16555 1 19 . 1 1 53 53 GLY H H 53 7.529 7.529 7.418 0.111 19108 16556 1 19 . 1 1 54 54 PHE N N 54 113.146 113.146 116.236 -3.090 19108 16557 1 19 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.627 0.368 19108 16558 1 19 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.389 -0.533 19108 16559 1 19 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.955 2.408 19108 16560 1 19 . 1 1 54 54 PHE H H 54 8.287 8.287 7.870 0.417 19108 16561 1 19 . 1 1 55 55 LEU N N 55 119.389 119.389 120.331 -0.942 19108 16562 1 19 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.487 0.208 19108 16563 1 19 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.154 0.558 19108 16564 1 19 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.236 0.392 19108 16565 1 19 . 1 1 55 55 LEU H H 55 9.452 9.452 9.020 0.432 19108 16566 1 19 . 1 1 56 56 HIS N N 56 114.176 114.176 114.011 0.165 19108 16567 1 19 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.111 0.328 19108 16568 1 19 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.790 0.675 19108 16569 1 19 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.157 -0.690 19108 16570 1 19 . 1 1 56 56 HIS H H 56 7.709 7.709 7.305 0.404 19108 16571 1 19 . 1 1 57 57 ASN N N 57 116.522 116.522 118.548 -2.026 19108 16572 1 19 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.458 -0.043 19108 16573 1 19 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.387 0.797 19108 16574 1 19 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.720 -1.058 19108 16575 1 19 . 1 1 57 57 ASN H H 57 8.684 8.684 7.967 0.717 19108 16576 1 19 . 1 1 58 58 GLN N N 58 122.850 122.850 116.633 6.217 19108 16577 1 19 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.725 0.664 19108 16578 1 19 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.506 -2.653 19108 16579 1 19 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.940 1.442 19108 16580 1 19 . 1 1 58 58 GLN H H 58 9.099 9.099 8.138 0.961 19108 16581 1 19 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.494 -0.194 19108 16582 1 19 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.529 -0.025 19108 16583 1 19 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.975 -0.554 19108 16584 1 19 . 1 1 60 60 LYS N N 60 119.998 119.998 120.003 -0.005 19108 16585 1 19 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.417 -0.641 19108 16586 1 19 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.969 0.332 19108 16587 1 19 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.987 0.829 19108 16588 1 19 . 1 1 60 60 LYS H H 60 8.344 8.344 8.437 -0.093 19108 16589 1 19 . 1 1 61 61 ASN N N 61 119.688 119.688 120.290 -0.602 19108 16590 1 19 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.976 -0.521 19108 16591 1 19 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.496 0.408 19108 16592 1 19 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.818 0.719 19108 16593 1 19 . 1 1 61 61 ASN H H 61 8.643 8.643 8.331 0.312 19108 16594 1 19 . 1 1 62 62 LEU N N 62 124.761 124.761 121.763 2.998 19108 16595 1 19 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.509 -0.575 19108 16596 1 19 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.552 1.693 19108 16597 1 19 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.884 -0.941 19108 16598 1 19 . 1 1 62 62 LEU H H 62 8.873 8.873 8.067 0.806 19108 16599 1 19 . 1 1 63 63 LEU N N 63 120.312 120.312 120.409 -0.097 19108 16600 1 19 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.196 0.003 19108 16601 1 19 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.218 -0.141 19108 16602 1 19 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.533 -0.276 19108 16603 1 19 . 1 1 63 63 LEU H H 63 8.145 8.145 8.159 -0.014 19108 16604 1 19 . 1 1 64 64 CYS N N 64 113.898 113.898 116.806 -2.908 19108 16605 1 19 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.479 -0.308 19108 16606 1 19 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.753 -0.969 19108 16607 1 19 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.435 -0.717 19108 16608 1 19 . 1 1 64 64 CYS H H 64 7.376 7.376 7.632 -0.256 19108 16609 1 19 . 1 1 65 65 GLY N N 65 108.894 108.894 108.736 0.158 19108 16610 1 19 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.548 1.435 19108 16611 1 19 . 1 1 65 65 GLY H H 65 7.789 7.789 7.763 0.026 19108 16612 1 19 . 1 1 66 66 PHE N N 66 118.711 118.711 112.688 6.023 19108 16613 1 19 . 1 1 66 66 PHE HA H 66 3.917 3.917 3.968 -0.051 19108 16614 1 19 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.527 -1.587 19108 16615 1 19 . 1 1 66 66 PHE CB C 66 40.268 40.268 35.870 4.399 19108 16616 1 19 . 1 1 66 66 PHE H H 66 7.699 7.699 7.599 0.100 19108 16617 1 19 . 1 1 67 67 TYR N N 67 124.623 124.623 117.367 7.256 19108 16618 1 19 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.160 0.140 19108 16619 1 19 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.782 1.982 19108 16620 1 19 . 1 1 67 67 TYR CB C 67 38.153 38.153 37.008 1.145 19108 16621 1 19 . 1 1 67 67 TYR H H 67 8.568 8.568 7.744 0.824 19108 16622 1 19 . 1 1 69 69 ARG N N 69 121.427 121.427 126.434 -5.007 19108 16623 1 19 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.507 2.550 19108 16624 1 19 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.446 -0.150 19108 16625 1 19 . 1 1 69 69 ARG H H 69 8.313 8.313 8.049 0.264 19108 16626 1 19 . 1 1 70 70 HIS N N 70 128.351 128.351 122.675 5.676 19108 16627 1 19 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.416 0.366 19108 16628 1 19 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.715 1.001 19108 16629 1 19 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.107 1.669 19108 16630 1 19 . 1 1 70 70 HIS H H 70 9.182 9.182 9.095 0.087 19108 16631 1 19 . 1 1 71 71 ALA N N 71 125.649 125.649 126.456 -0.807 19108 16632 1 19 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.964 -0.607 19108 16633 1 19 . 1 1 71 71 ALA CA C 71 55.782 55.782 53.772 2.010 19108 16634 1 19 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.832 -0.822 19108 16635 1 19 . 1 1 71 71 ALA H H 71 8.968 8.968 8.898 0.070 19108 16636 1 19 . 1 1 72 72 GLU N N 72 119.941 119.941 118.711 1.230 19108 16637 1 19 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.530 -0.553 19108 16638 1 19 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.254 1.702 19108 16639 1 19 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.026 -1.020 19108 16640 1 19 . 1 1 72 72 GLU H H 72 12.692 12.692 8.423 4.269 19108 16641 1 19 . 1 1 73 73 LEU N N 73 114.882 114.882 119.063 -4.181 19108 16642 1 19 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.059 -0.474 19108 16643 1 19 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.111 -0.451 19108 16644 1 19 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.718 -2.474 19108 16645 1 19 . 1 1 73 73 LEU H H 73 6.637 6.637 6.799 -0.162 19108 16646 1 19 . 1 1 74 74 ARG N N 74 117.799 117.799 119.061 -1.262 19108 16647 1 19 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.281 -0.239 19108 16648 1 19 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.846 -0.671 19108 16649 1 19 . 1 1 74 74 ARG H H 74 7.556 7.556 7.369 0.187 19108 16650 1 19 . 1 1 75 75 PHE N N 75 119.783 119.783 119.300 0.483 19108 16651 1 19 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.147 -0.586 19108 16652 1 19 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.312 1.362 19108 16653 1 19 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.031 -0.993 19108 16654 1 19 . 1 1 75 75 PHE H H 75 8.233 8.233 8.069 0.164 19108 16655 1 19 . 1 1 76 76 LEU N N 76 119.526 119.526 120.378 -0.852 19108 16656 1 19 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.289 0.269 19108 16657 1 19 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.611 1.428 19108 16658 1 19 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.540 -2.524 19108 16659 1 19 . 1 1 76 76 LEU H H 76 7.629 7.629 7.476 0.153 19108 16660 1 19 . 1 1 77 77 ASP N N 77 118.215 118.215 119.874 -1.659 19108 16661 1 19 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.417 -0.259 19108 16662 1 19 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.531 -0.131 19108 16663 1 19 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.280 -0.912 19108 16664 1 19 . 1 1 77 77 ASP H H 77 8.190 8.190 8.351 -0.161 19108 16665 1 19 . 1 1 78 78 LEU N N 78 117.496 117.496 113.840 3.656 19108 16666 1 19 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.554 -0.264 19108 16667 1 19 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.339 -0.354 19108 16668 1 19 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.550 0.851 19108 16669 1 19 . 1 1 78 78 LEU H H 78 7.252 7.252 7.167 0.085 19108 16670 1 19 . 1 1 79 79 VAL N N 79 120.915 120.915 121.101 -0.186 19108 16671 1 19 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.589 -0.366 19108 16672 1 19 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.583 0.945 19108 16673 1 19 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.991 0.130 19108 16674 1 19 . 1 1 79 79 VAL H H 79 7.179 7.179 6.802 0.377 19108 16675 1 19 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.380 -0.405 19108 16676 1 19 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.681 1.106 19108 16677 1 19 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.843 -1.035 19108 16678 1 19 . 1 1 81 81 SER N N 81 112.727 112.727 115.127 -2.400 19108 16679 1 19 . 1 1 81 81 SER HA H 81 4.314 4.314 4.277 0.037 19108 16680 1 19 . 1 1 81 81 SER CA C 81 60.618 60.618 60.808 -0.190 19108 16681 1 19 . 1 1 81 81 SER CB C 81 63.450 63.450 62.646 0.804 19108 16682 1 19 . 1 1 81 81 SER H H 81 7.828 7.828 7.604 0.224 19108 16683 1 19 . 1 1 82 82 LEU N N 82 120.918 120.918 121.730 -0.812 19108 16684 1 19 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.436 -0.562 19108 16685 1 19 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.496 0.996 19108 16686 1 19 . 1 1 82 82 LEU CB C 82 40.211 40.211 41.942 -1.731 19108 16687 1 19 . 1 1 82 82 LEU H H 82 7.912 7.912 7.460 0.452 19108 16688 1 19 . 1 1 83 83 GLN N N 83 111.397 111.397 114.692 -3.295 19108 16689 1 19 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.846 -0.038 19108 16690 1 19 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.188 -0.021 19108 16691 1 19 . 1 1 83 83 GLN CB C 83 26.668 26.668 25.726 0.942 19108 16692 1 19 . 1 1 83 83 GLN H H 83 7.458 7.458 7.457 0.001 19108 16693 1 19 . 1 1 84 84 LEU N N 84 118.520 118.520 119.863 -1.343 19108 16694 1 19 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.015 -0.296 19108 16695 1 19 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.300 -1.558 19108 16696 1 19 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.527 -3.282 19108 16697 1 19 . 1 1 84 84 LEU H H 84 8.736 8.736 8.161 0.575 19108 16698 1 19 . 1 1 85 85 ASP N N 85 126.187 126.187 121.257 4.930 19108 16699 1 19 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.017 -0.134 19108 16700 1 19 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.752 -0.406 19108 16701 1 19 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.217 1.731 19108 16702 1 19 . 1 1 85 85 ASP H H 85 8.415 8.415 8.143 0.272 19108 16703 1 19 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.485 0.443 19108 16704 1 19 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.063 -0.425 19108 16705 1 19 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.796 -0.510 19108 16706 1 19 . 1 1 87 87 ALA N N 87 121.030 121.030 120.783 0.247 19108 16707 1 19 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.079 0.339 19108 16708 1 19 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.762 -1.590 19108 16709 1 19 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.602 0.746 19108 16710 1 19 . 1 1 87 87 ALA H H 87 8.504 8.504 7.746 0.758 19108 16711 1 19 . 1 1 88 88 GLN N N 88 119.601 119.601 116.018 3.583 19108 16712 1 19 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.483 0.039 19108 16713 1 19 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.435 -1.002 19108 16714 1 19 . 1 1 88 88 GLN CB C 88 30.049 30.049 29.974 0.075 19108 16715 1 19 . 1 1 88 88 GLN H H 88 8.125 8.125 7.981 0.144 19108 16716 1 19 . 1 1 89 89 ILE N N 89 118.195 118.195 117.348 0.847 19108 16717 1 19 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.860 0.109 19108 16718 1 19 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.986 -1.445 19108 16719 1 19 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.218 0.034 19108 16720 1 19 . 1 1 89 89 ILE H H 89 8.099 8.099 8.253 -0.154 19108 16721 1 19 . 1 1 90 90 TYR N N 90 122.421 122.421 122.115 0.306 19108 16722 1 19 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.176 0.185 19108 16723 1 19 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.244 -1.204 19108 16724 1 19 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.679 -0.854 19108 16725 1 19 . 1 1 90 90 TYR H H 90 8.892 8.892 8.424 0.468 19108 16726 1 19 . 1 1 91 91 ARG N N 91 121.043 121.043 121.046 -0.003 19108 16727 1 19 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.911 0.332 19108 16728 1 19 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.892 -1.357 19108 16729 1 19 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.806 -0.674 19108 16730 1 19 . 1 1 91 91 ARG H H 91 9.327 9.327 8.642 0.685 19108 16731 1 19 . 1 1 92 92 VAL N N 92 132.287 132.287 129.464 2.823 19108 16732 1 19 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.137 -0.213 19108 16733 1 19 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.221 -0.316 19108 16734 1 19 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.758 0.095 19108 16735 1 19 . 1 1 92 92 VAL H H 92 9.668 9.668 9.092 0.576 19108 16736 1 19 . 1 1 93 93 THR N N 93 124.468 124.468 125.420 -0.952 19108 16737 1 19 . 1 1 93 93 THR HA H 93 5.264 5.264 4.608 0.656 19108 16738 1 19 . 1 1 93 93 THR CA C 93 61.616 61.616 62.556 -0.940 19108 16739 1 19 . 1 1 93 93 THR CB C 93 70.082 70.082 69.501 0.581 19108 16740 1 19 . 1 1 93 93 THR H H 93 9.381 9.381 8.943 0.438 19108 16741 1 19 . 1 1 94 94 TRP N N 94 124.491 124.491 127.982 -3.491 19108 16742 1 19 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.820 0.846 19108 16743 1 19 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.242 -3.037 19108 16744 1 19 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.974 2.694 19108 16745 1 19 . 1 1 94 94 TRP H H 94 9.071 9.071 9.103 -0.032 19108 16746 1 19 . 1 1 95 95 PHE N N 95 122.179 122.179 122.637 -0.458 19108 16747 1 19 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.967 0.703 19108 16748 1 19 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.280 -0.506 19108 16749 1 19 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.257 -0.808 19108 16750 1 19 . 1 1 95 95 PHE H H 95 9.578 9.578 8.364 1.214 19108 16751 1 19 . 1 1 96 96 ILE N N 96 125.072 125.072 121.225 3.847 19108 16752 1 19 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.281 0.692 19108 16753 1 19 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.510 -1.083 19108 16754 1 19 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.803 4.270 19108 16755 1 19 . 1 1 96 96 ILE H H 96 9.816 9.816 9.296 0.520 19108 16756 1 19 . 1 1 97 97 SER N N 97 124.020 124.020 117.414 6.606 19108 16757 1 19 . 1 1 97 97 SER HA H 97 3.623 3.623 4.832 -1.209 19108 16758 1 19 . 1 1 97 97 SER CA C 97 61.750 61.750 59.677 2.073 19108 16759 1 19 . 1 1 97 97 SER CB C 97 63.711 63.711 64.000 -0.289 19108 16760 1 19 . 1 1 97 97 SER H H 97 9.156 9.156 8.491 0.665 19108 16761 1 19 . 1 1 98 98 TRP N N 98 114.829 114.829 121.105 -6.276 19108 16762 1 19 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.206 0.133 19108 16763 1 19 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.716 -2.045 19108 16764 1 19 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.939 2.812 19108 16765 1 19 . 1 1 98 98 TRP H H 98 6.619 6.619 7.807 -1.188 19108 16766 1 19 . 1 1 99 99 SER N N 99 115.444 115.444 117.990 -2.546 19108 16767 1 19 . 1 1 99 99 SER CA C 99 58.045 58.045 56.713 1.332 19108 16768 1 19 . 1 1 99 99 SER CB C 99 61.927 61.927 63.743 -1.816 19108 16769 1 19 . 1 1 99 99 SER H H 99 8.590 8.590 8.692 -0.102 19108 16770 1 19 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.845 -1.920 19108 16771 1 19 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.406 2.390 19108 16772 1 19 . 1 1 101 101 CYS N N 101 121.768 121.768 115.982 5.786 19108 16773 1 19 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.855 -0.196 19108 16774 1 19 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.229 0.960 19108 16775 1 19 . 1 1 101 101 CYS H H 101 8.686 8.686 8.211 0.475 19108 16776 1 19 . 1 1 102 102 PHE N N 102 115.031 115.031 123.782 -8.751 19108 16777 1 19 . 1 1 102 102 PHE CA C 102 58.960 58.960 55.080 3.880 19108 16778 1 19 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.835 0.322 19108 16779 1 19 . 1 1 102 102 PHE H H 102 9.318 9.318 8.226 1.092 19108 16780 1 19 . 1 1 103 103 SER N N 103 119.552 119.552 122.883 -3.331 19108 16781 1 19 . 1 1 103 103 SER HA H 103 3.713 3.713 4.211 -0.498 19108 16782 1 19 . 1 1 103 103 SER CA C 103 63.368 63.368 62.023 1.345 19108 16783 1 19 . 1 1 103 103 SER CB C 103 60.539 60.539 63.510 -2.971 19108 16784 1 19 . 1 1 103 103 SER H H 103 10.858 10.858 8.913 1.945 19108 16785 1 19 . 1 1 104 104 TRP N N 104 117.909 117.909 119.538 -1.629 19108 16786 1 19 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.735 -0.959 19108 16787 1 19 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.011 0.203 19108 16788 1 19 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.117 -1.231 19108 16789 1 19 . 1 1 104 104 TRP H H 104 7.880 7.880 8.456 -0.576 19108 16790 1 19 . 1 1 105 105 GLY N N 105 106.359 106.359 108.371 -2.012 19108 16791 1 19 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.739 -0.657 19108 16792 1 19 . 1 1 105 105 GLY H H 105 7.468 7.468 8.642 -1.174 19108 16793 1 19 . 1 1 106 106 CYS N N 106 120.359 120.359 120.784 -0.425 19108 16794 1 19 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.769 -0.910 19108 16795 1 19 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.421 5.681 19108 16796 1 19 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.426 2.292 19108 16797 1 19 . 1 1 106 106 CYS H H 106 7.366 7.366 8.267 -0.901 19108 16798 1 19 . 1 1 107 107 ALA N N 107 119.725 119.725 124.146 -4.421 19108 16799 1 19 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.112 -0.247 19108 16800 1 19 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.141 1.793 19108 16801 1 19 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.147 0.296 19108 16802 1 19 . 1 1 107 107 ALA H H 107 8.719 8.719 8.657 0.062 19108 16803 1 19 . 1 1 108 108 GLY N N 108 103.829 103.829 107.226 -3.397 19108 16804 1 19 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.093 -0.199 19108 16805 1 19 . 1 1 108 108 GLY H H 108 8.555 8.555 8.521 0.034 19108 16806 1 19 . 1 1 109 109 GLU N N 109 123.162 123.162 121.762 1.400 19108 16807 1 19 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.977 0.289 19108 16808 1 19 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.340 -0.048 19108 16809 1 19 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.392 0.990 19108 16810 1 19 . 1 1 109 109 GLU H H 109 8.023 8.023 7.570 0.453 19108 16811 1 19 . 1 1 110 110 VAL N N 110 121.866 121.866 119.313 2.553 19108 16812 1 19 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.794 -0.095 19108 16813 1 19 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.804 1.239 19108 16814 1 19 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.328 -0.322 19108 16815 1 19 . 1 1 110 110 VAL H H 110 8.942 8.942 8.434 0.508 19108 16816 1 19 . 1 1 111 111 ARG N N 111 120.587 120.587 121.227 -0.640 19108 16817 1 19 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.952 -0.166 19108 16818 1 19 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.975 0.106 19108 16819 1 19 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.999 -0.824 19108 16820 1 19 . 1 1 111 111 ARG H H 111 8.653 8.653 8.336 0.317 19108 16821 1 19 . 1 1 112 112 ALA N N 112 120.687 120.687 121.271 -0.584 19108 16822 1 19 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.017 0.117 19108 16823 1 19 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.953 0.465 19108 16824 1 19 . 1 1 112 112 ALA CB C 112 17.991 17.991 17.986 0.005 19108 16825 1 19 . 1 1 112 112 ALA H H 112 7.875 7.875 7.896 -0.021 19108 16826 1 19 . 1 1 113 113 PHE N N 113 118.950 118.950 119.278 -0.328 19108 16827 1 19 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.108 0.229 19108 16828 1 19 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.623 -0.248 19108 16829 1 19 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.259 0.128 19108 16830 1 19 . 1 1 113 113 PHE H H 113 8.139 8.139 7.747 0.392 19108 16831 1 19 . 1 1 114 114 LEU N N 114 120.595 120.595 120.070 0.525 19108 16832 1 19 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.895 -0.095 19108 16833 1 19 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.806 -0.673 19108 16834 1 19 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.150 -1.241 19108 16835 1 19 . 1 1 114 114 LEU H H 114 8.639 8.639 7.882 0.757 19108 16836 1 19 . 1 1 115 115 GLN N N 115 117.666 117.666 117.081 0.585 19108 16837 1 19 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.917 0.106 19108 16838 1 19 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.563 -0.177 19108 16839 1 19 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.480 0.059 19108 16840 1 19 . 1 1 115 115 GLN H H 115 8.167 8.167 8.357 -0.190 19108 16841 1 19 . 1 1 116 116 GLU N N 116 115.380 115.380 115.539 -0.159 19108 16842 1 19 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.340 -0.018 19108 16843 1 19 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.328 0.734 19108 16844 1 19 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.854 -0.139 19108 16845 1 19 . 1 1 116 116 GLU H H 116 7.448 7.448 7.768 -0.320 19108 16846 1 19 . 1 1 117 117 ASN N N 117 119.831 119.831 117.328 2.503 19108 16847 1 19 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.925 0.140 19108 16848 1 19 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.408 -0.223 19108 16849 1 19 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.389 -0.143 19108 16850 1 19 . 1 1 117 117 ASN H H 117 7.632 7.632 7.825 -0.193 19108 16851 1 19 . 1 1 118 118 THR N N 118 111.041 111.041 116.261 -5.220 19108 16852 1 19 . 1 1 118 118 THR HA H 118 4.317 4.317 4.014 0.303 19108 16853 1 19 . 1 1 118 118 THR CA C 118 64.081 64.081 63.306 0.775 19108 16854 1 19 . 1 1 118 118 THR CB C 118 68.767 68.767 68.694 0.073 19108 16855 1 19 . 1 1 118 118 THR H H 118 8.054 8.054 7.710 0.344 19108 16856 1 19 . 1 1 119 119 HIS N N 119 120.403 120.403 115.439 4.964 19108 16857 1 19 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.605 -0.316 19108 16858 1 19 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.329 1.272 19108 16859 1 19 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.156 1.164 19108 16860 1 19 . 1 1 119 119 HIS H H 119 9.248 9.248 8.078 1.170 19108 16861 1 19 . 1 1 120 120 VAL N N 120 120.001 120.001 117.987 2.014 19108 16862 1 19 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.569 -0.043 19108 16863 1 19 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.974 2.916 19108 16864 1 19 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.449 -1.454 19108 16865 1 19 . 1 1 120 120 VAL H H 120 7.379 7.379 7.194 0.185 19108 16866 1 19 . 1 1 121 121 ARG N N 121 125.312 125.312 126.905 -1.593 19108 16867 1 19 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.463 0.347 19108 16868 1 19 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.395 -1.328 19108 16869 1 19 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.595 -1.015 19108 16870 1 19 . 1 1 121 121 ARG H H 121 8.775 8.775 8.181 0.594 19108 16871 1 19 . 1 1 122 122 LEU N N 122 125.483 125.483 126.027 -0.544 19108 16872 1 19 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.893 0.267 19108 16873 1 19 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.277 0.024 19108 16874 1 19 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.102 2.570 19108 16875 1 19 . 1 1 122 122 LEU H H 122 9.345 9.345 8.686 0.659 19108 16876 1 19 . 1 1 123 123 ARG N N 123 127.748 127.748 126.395 1.353 19108 16877 1 19 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.380 0.356 19108 16878 1 19 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.363 -0.196 19108 16879 1 19 . 1 1 123 123 ARG CB C 123 32.812 32.812 31.832 0.980 19108 16880 1 19 . 1 1 123 123 ARG H H 123 9.053 9.053 8.239 0.814 19108 16881 1 19 . 1 1 124 124 ILE N N 124 123.665 123.665 123.767 -0.102 19108 16882 1 19 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.129 0.313 19108 16883 1 19 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.413 0.346 19108 16884 1 19 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.572 2.321 19108 16885 1 19 . 1 1 124 124 ILE H H 124 9.019 9.019 8.535 0.484 19108 16886 1 19 . 1 1 125 125 PHE N N 125 126.320 126.320 126.175 0.145 19108 16887 1 19 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.516 -0.351 19108 16888 1 19 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.454 0.460 19108 16889 1 19 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.957 -1.138 19108 16890 1 19 . 1 1 125 125 PHE H H 125 9.359 9.359 8.103 1.256 19108 16891 1 19 . 1 1 126 126 ALA N N 126 124.526 124.526 127.398 -2.872 19108 16892 1 19 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.179 0.637 19108 16893 1 19 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.083 -1.213 19108 16894 1 19 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.967 0.367 19108 16895 1 19 . 1 1 126 126 ALA H H 126 9.091 9.091 8.758 0.333 19108 16896 1 19 . 1 1 127 127 ALA N N 127 126.272 126.272 128.332 -2.060 19108 16897 1 19 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.416 0.335 19108 16898 1 19 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.531 1.937 19108 16899 1 19 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.836 -0.231 19108 16900 1 19 . 1 1 127 127 ALA H H 127 9.049 9.049 9.081 -0.032 19108 16901 1 19 . 1 1 128 128 ARG N N 128 108.570 108.570 118.188 -9.618 19108 16902 1 19 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.401 0.014 19108 16903 1 19 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.086 4.120 19108 16904 1 19 . 1 1 128 128 ARG H H 128 6.741 6.741 7.873 -1.132 19108 16905 1 19 . 1 1 129 129 ILE N N 129 121.285 121.285 123.561 -2.276 19108 16906 1 19 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.149 0.142 19108 16907 1 19 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.830 0.037 19108 16908 1 19 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.569 0.260 19108 16909 1 19 . 1 1 129 129 ILE H H 129 8.340 8.340 8.317 0.023 19108 16910 1 19 . 1 1 130 130 TYR N N 130 130.143 130.143 126.649 3.494 19108 16911 1 19 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.409 0.926 19108 16912 1 19 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.963 -1.037 19108 16913 1 19 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.461 -3.298 19108 16914 1 19 . 1 1 130 130 TYR H H 130 8.870 8.870 8.371 0.499 19108 16915 1 19 . 1 1 131 131 ASP N N 131 123.662 123.662 123.841 -0.179 19108 16916 1 19 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.069 -1.402 19108 16917 1 19 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.301 1.412 19108 16918 1 19 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.976 -3.075 19108 16919 1 19 . 1 1 131 131 ASP H H 131 8.123 8.123 8.083 0.040 19108 16920 1 19 . 1 1 132 132 TYR N N 132 116.852 116.852 121.025 -4.173 19108 16921 1 19 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.695 -0.780 19108 16922 1 19 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.560 -0.092 19108 16923 1 19 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.194 -0.157 19108 16924 1 19 . 1 1 132 132 TYR H H 132 6.448 6.448 8.784 -2.336 19108 16925 1 19 . 1 1 133 133 ASP N N 133 116.930 116.930 119.149 -2.219 19108 16926 1 19 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.579 -1.414 19108 16927 1 19 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.704 2.078 19108 16928 1 19 . 1 1 133 133 ASP H H 133 7.005 7.005 8.153 -1.148 19108 16929 1 19 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.483 -0.380 19108 16930 1 19 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.636 0.065 19108 16931 1 19 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.121 -0.031 19108 16932 1 19 . 1 1 135 135 LEU N N 135 120.252 120.252 120.826 -0.574 19108 16933 1 19 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.945 0.753 19108 16934 1 19 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.673 -3.292 19108 16935 1 19 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.351 -1.607 19108 16936 1 19 . 1 1 135 135 LEU H H 135 8.456 8.456 8.051 0.405 19108 16937 1 19 . 1 1 136 136 TYR N N 136 117.432 117.432 119.471 -2.039 19108 16938 1 19 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.927 0.134 19108 16939 1 19 . 1 1 136 136 TYR CA C 136 61.058 61.058 61.081 -0.023 19108 16940 1 19 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.592 -0.012 19108 16941 1 19 . 1 1 136 136 TYR H H 136 8.028 8.028 7.528 0.500 19108 16942 1 19 . 1 1 137 137 LYS N N 137 122.000 122.000 118.693 3.307 19108 16943 1 19 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.625 0.674 19108 16944 1 19 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.673 -0.875 19108 16945 1 19 . 1 1 137 137 LYS H H 137 7.503 7.503 7.807 -0.304 19108 16946 1 19 . 1 1 138 138 GLU N N 138 121.833 121.833 117.908 3.925 19108 16947 1 19 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.380 0.461 19108 16948 1 19 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.130 -1.661 19108 16949 1 19 . 1 1 138 138 GLU H H 138 8.752 8.752 7.689 1.063 19108 16950 1 19 . 1 1 139 139 ALA N N 139 119.592 119.592 122.849 -3.257 19108 16951 1 19 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.154 -0.308 19108 16952 1 19 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.861 0.279 19108 16953 1 19 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.558 1.697 19108 16954 1 19 . 1 1 139 139 ALA H H 139 7.682 7.682 7.565 0.117 19108 16955 1 19 . 1 1 140 140 LEU N N 140 116.268 116.268 118.767 -2.499 19108 16956 1 19 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.111 0.082 19108 16957 1 19 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.541 -0.446 19108 16958 1 19 . 1 1 140 140 LEU H H 140 7.175 7.175 7.665 -0.490 19108 16959 1 19 . 1 1 141 141 GLN N N 141 117.550 117.550 118.246 -0.696 19108 16960 1 19 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.092 -0.373 19108 16961 1 19 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.169 0.882 19108 16962 1 19 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.428 -0.834 19108 16963 1 19 . 1 1 141 141 GLN H H 141 8.322 8.322 7.575 0.747 19108 16964 1 19 . 1 1 142 142 MET N N 142 118.520 118.520 120.221 -1.701 19108 16965 1 19 . 1 1 142 142 MET HA H 142 4.135 4.135 4.060 0.075 19108 16966 1 19 . 1 1 142 142 MET CA C 142 59.051 59.051 59.096 -0.045 19108 16967 1 19 . 1 1 142 142 MET CB C 142 33.170 33.170 32.581 0.589 19108 16968 1 19 . 1 1 142 142 MET H H 142 8.241 8.241 8.276 -0.035 19108 16969 1 19 . 1 1 143 143 LEU N N 143 118.659 118.659 118.085 0.574 19108 16970 1 19 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.041 0.251 19108 16971 1 19 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.342 0.773 19108 16972 1 19 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.693 -0.316 19108 16973 1 19 . 1 1 143 143 LEU H H 143 7.932 7.932 8.110 -0.178 19108 16974 1 19 . 1 1 144 144 ARG N N 144 121.294 121.294 120.056 1.238 19108 16975 1 19 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.856 0.570 19108 16976 1 19 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.365 -0.376 19108 16977 1 19 . 1 1 144 144 ARG CB C 144 28.108 28.108 30.137 -2.030 19108 16978 1 19 . 1 1 144 144 ARG H H 144 7.968 7.968 7.632 0.336 19108 16979 1 19 . 1 1 145 145 ASP N N 145 122.553 122.553 116.700 5.853 19108 16980 1 19 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.534 -0.105 19108 16981 1 19 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.099 0.479 19108 16982 1 19 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.010 -1.419 19108 16983 1 19 . 1 1 145 145 ASP H H 145 8.868 8.868 7.855 1.013 19108 16984 1 19 . 1 1 146 146 ALA N N 146 120.102 120.102 120.615 -0.513 19108 16985 1 19 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.273 0.145 19108 16986 1 19 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.961 -0.927 19108 16987 1 19 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.885 -0.590 19108 16988 1 19 . 1 1 146 146 ALA H H 146 7.737 7.737 7.928 -0.191 19108 16989 1 19 . 1 1 147 147 GLY N N 147 105.039 105.039 106.077 -1.038 19108 16990 1 19 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.825 0.039 19108 16991 1 19 . 1 1 147 147 GLY H H 147 7.966 7.966 8.039 -0.073 19108 16992 1 19 . 1 1 148 148 ALA N N 148 124.181 124.181 121.821 2.360 19108 16993 1 19 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.437 0.252 19108 16994 1 19 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.181 0.279 19108 16995 1 19 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.289 -1.810 19108 16996 1 19 . 1 1 148 148 ALA H H 148 8.051 8.051 7.225 0.826 19108 16997 1 19 . 1 1 149 149 GLN N N 149 122.185 122.185 119.828 2.357 19108 16998 1 19 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.522 -0.083 19108 16999 1 19 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.075 -0.120 19108 17000 1 19 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.237 -0.816 19108 17001 1 19 . 1 1 149 149 GLN H H 149 7.953 7.953 8.027 -0.074 19108 17002 1 19 . 1 1 150 150 VAL N N 150 127.399 127.399 124.445 2.954 19108 17003 1 19 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.829 -0.077 19108 17004 1 19 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.537 0.902 19108 17005 1 19 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.291 0.887 19108 17006 1 19 . 1 1 150 150 VAL H H 150 8.658 8.658 8.522 0.136 19108 17007 1 19 . 1 1 151 151 SER N N 151 120.616 120.616 122.091 -1.475 19108 17008 1 19 . 1 1 151 151 SER HA H 151 5.179 5.179 4.870 0.309 19108 17009 1 19 . 1 1 151 151 SER CA C 151 56.981 56.981 57.069 -0.088 19108 17010 1 19 . 1 1 151 151 SER CB C 151 66.538 66.538 66.740 -0.202 19108 17011 1 19 . 1 1 151 151 SER H H 151 8.737 8.737 8.486 0.251 19108 17012 1 19 . 1 1 152 152 ILE N N 152 123.180 123.180 123.033 0.147 19108 17013 1 19 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.599 0.548 19108 17014 1 19 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.692 -4.174 19108 17015 1 19 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.124 -2.044 19108 17016 1 19 . 1 1 152 152 ILE H H 152 8.672 8.672 8.668 0.004 19108 17017 1 19 . 1 1 153 153 MET N N 153 123.477 123.477 131.258 -7.781 19108 17018 1 19 . 1 1 153 153 MET HA H 153 3.886 3.886 4.213 -0.327 19108 17019 1 19 . 1 1 153 153 MET CA C 153 59.053 59.053 56.570 2.483 19108 17020 1 19 . 1 1 153 153 MET CB C 153 34.793 34.793 31.764 3.029 19108 17021 1 19 . 1 1 153 153 MET H H 153 8.314 8.314 8.235 0.079 19108 17022 1 19 . 1 1 154 154 THR N N 154 117.621 117.621 117.893 -0.272 19108 17023 1 19 . 1 1 154 154 THR HA H 154 4.951 4.951 4.694 0.257 19108 17024 1 19 . 1 1 154 154 THR CA C 154 60.436 60.436 60.109 0.327 19108 17025 1 19 . 1 1 154 154 THR CB C 154 72.370 72.370 70.987 1.383 19108 17026 1 19 . 1 1 154 154 THR H H 154 9.630 9.630 7.939 1.691 19108 17027 1 19 . 1 1 155 155 TYR N N 155 121.751 121.751 122.961 -1.210 19108 17028 1 19 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.082 0.017 19108 17029 1 19 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.277 2.162 19108 17030 1 19 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.246 1.040 19108 17031 1 19 . 1 1 155 155 TYR H H 155 9.769 9.769 9.017 0.752 19108 17032 1 19 . 1 1 156 156 ASP N N 156 115.555 115.555 116.921 -1.366 19108 17033 1 19 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.782 0.326 19108 17034 1 19 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.879 0.381 19108 17035 1 19 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.044 0.574 19108 17036 1 19 . 1 1 156 156 ASP H H 156 8.230 8.230 8.595 -0.365 19108 17037 1 19 . 1 1 157 157 GLU N N 157 117.678 117.678 119.260 -1.582 19108 17038 1 19 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.945 -0.075 19108 17039 1 19 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.324 1.183 19108 17040 1 19 . 1 1 157 157 GLU CB C 157 31.048 31.048 28.922 2.126 19108 17041 1 19 . 1 1 157 157 GLU H H 157 7.470 7.470 8.413 -0.943 19108 17042 1 19 . 1 1 158 158 PHE N N 158 119.869 119.869 121.163 -1.294 19108 17043 1 19 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.931 -0.102 19108 17044 1 19 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.041 1.736 19108 17045 1 19 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.729 1.178 19108 17046 1 19 . 1 1 158 158 PHE H H 158 8.077 8.077 8.175 -0.098 19108 17047 1 19 . 1 1 159 159 LYS N N 159 118.859 118.859 119.292 -0.433 19108 17048 1 19 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.618 0.299 19108 17049 1 19 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.938 -0.707 19108 17050 1 19 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.249 -0.286 19108 17051 1 19 . 1 1 159 159 LYS H H 159 8.273 8.273 7.932 0.341 19108 17052 1 19 . 1 1 160 160 HIS N N 160 115.889 115.889 118.203 -2.314 19108 17053 1 19 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.377 -0.218 19108 17054 1 19 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.932 1.049 19108 17055 1 19 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.613 -1.683 19108 17056 1 19 . 1 1 160 160 HIS H H 160 7.695 7.695 7.688 0.007 19108 17057 1 19 . 1 1 161 161 CYS N N 161 118.188 118.188 118.867 -0.679 19108 17058 1 19 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.162 0.627 19108 17059 1 19 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.350 1.444 19108 17060 1 19 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.214 1.672 19108 17061 1 19 . 1 1 161 161 CYS H H 161 7.885 7.885 7.728 0.157 19108 17062 1 19 . 1 1 162 162 TRP N N 162 122.741 122.741 123.298 -0.557 19108 17063 1 19 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.440 0.324 19108 17064 1 19 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.889 -0.172 19108 17065 1 19 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.150 -0.557 19108 17066 1 19 . 1 1 162 162 TRP H H 162 8.040 8.040 8.151 -0.111 19108 17067 1 19 . 1 1 163 163 ASP N N 163 113.796 113.796 117.652 -3.856 19108 17068 1 19 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.838 0.288 19108 17069 1 19 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.753 1.176 19108 17070 1 19 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.368 1.167 19108 17071 1 19 . 1 1 163 163 ASP H H 163 8.319 8.319 7.896 0.423 19108 17072 1 19 . 1 1 164 164 THR N N 164 112.008 112.008 113.294 -1.286 19108 17073 1 19 . 1 1 164 164 THR HA H 164 3.803 3.803 3.992 -0.189 19108 17074 1 19 . 1 1 164 164 THR CA C 164 65.164 65.164 64.620 0.544 19108 17075 1 19 . 1 1 164 164 THR CB C 164 70.171 70.171 69.094 1.077 19108 17076 1 19 . 1 1 164 164 THR H H 164 7.494 7.494 7.541 -0.047 19108 17077 1 19 . 1 1 165 165 PHE N N 165 115.079 115.079 117.360 -2.281 19108 17078 1 19 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.506 0.029 19108 17079 1 19 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.458 0.511 19108 17080 1 19 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.947 0.421 19108 17081 1 19 . 1 1 165 165 PHE H H 165 8.235 8.235 7.177 1.058 19108 17082 1 19 . 1 1 166 166 VAL N N 166 118.432 118.432 118.094 0.338 19108 17083 1 19 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.217 -0.192 19108 17084 1 19 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.899 1.102 19108 17085 1 19 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.471 -3.116 19108 17086 1 19 . 1 1 166 166 VAL H H 166 6.838 6.838 7.096 -0.258 19108 17087 1 19 . 1 1 167 167 ASP N N 167 126.263 126.263 125.607 0.656 19108 17088 1 19 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.474 -0.626 19108 17089 1 19 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.125 -2.495 19108 17090 1 19 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.791 -1.711 19108 17091 1 19 . 1 1 167 167 ASP H H 167 8.498 8.498 8.215 0.283 19108 17092 1 19 . 1 1 168 168 HIS N N 168 119.890 119.890 117.847 2.043 19108 17093 1 19 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.215 0.131 19108 17094 1 19 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.525 -1.950 19108 17095 1 19 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.232 2.230 19108 17096 1 19 . 1 1 168 168 HIS H H 168 6.977 6.977 7.643 -0.666 19108 17097 1 19 . 1 1 169 169 GLN N N 169 119.254 119.254 116.603 2.651 19108 17098 1 19 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.958 -0.235 19108 17099 1 19 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.607 0.163 19108 17100 1 19 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.701 -0.180 19108 17101 1 19 . 1 1 169 169 GLN H H 169 9.126 9.126 8.967 0.159 19108 17102 1 19 . 1 1 170 170 GLY N N 170 111.911 111.911 101.143 10.768 19108 17103 1 19 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.364 0.460 19108 17104 1 19 . 1 1 170 170 GLY H H 170 11.556 11.556 5.130 6.426 19108 17105 1 19 . 1 1 171 171 CYS N N 171 123.390 123.390 121.741 1.649 19108 17106 1 19 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.967 -0.251 19108 17107 1 19 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.867 1.918 19108 17108 1 19 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.101 -1.197 19108 17109 1 19 . 1 1 171 171 CYS H H 171 8.044 8.044 6.845 1.199 19108 17110 1 19 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.882 -0.264 19108 17111 1 19 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.319 -0.461 19108 17112 1 19 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.493 0.036 19108 17113 1 19 . 1 1 173 173 PHE N N 173 121.101 121.101 120.814 0.287 19108 17114 1 19 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.169 -0.513 19108 17115 1 19 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.437 -1.896 19108 17116 1 19 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.422 -0.676 19108 17117 1 19 . 1 1 173 173 PHE H H 173 8.842 8.842 8.346 0.496 19108 17118 1 19 . 1 1 174 174 GLN N N 174 129.493 129.493 125.958 3.535 19108 17119 1 19 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.254 0.063 19108 17120 1 19 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.719 -0.925 19108 17121 1 19 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.195 -0.098 19108 17122 1 19 . 1 1 174 174 GLN H H 174 7.250 7.250 7.239 0.011 19108 17123 1 19 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.682 -0.768 19108 17124 1 19 . 1 1 175 175 PRO CA C 175 62.423 62.423 63.214 -0.791 19108 17125 1 19 . 1 1 176 176 TRP N N 176 118.133 118.133 124.283 -6.150 19108 17126 1 19 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.763 -0.130 19108 17127 1 19 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.905 0.257 19108 17128 1 19 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.485 -0.596 19108 17129 1 19 . 1 1 176 176 TRP H H 176 5.591 5.591 7.069 -1.478 19108 17130 1 19 . 1 1 177 177 ASP N N 177 121.814 121.814 121.912 -0.098 19108 17131 1 19 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.689 -0.292 19108 17132 1 19 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.993 1.179 19108 17133 1 19 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.813 0.862 19108 17134 1 19 . 1 1 177 177 ASP H H 177 8.848 8.848 8.568 0.280 19108 17135 1 19 . 1 1 178 178 GLY N N 178 111.875 111.875 111.573 0.302 19108 17136 1 19 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.141 0.525 19108 17137 1 19 . 1 1 178 178 GLY H H 178 8.987 8.987 8.130 0.857 19108 17138 1 19 . 1 1 179 179 LEU N N 179 121.470 121.470 123.237 -1.767 19108 17139 1 19 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.299 0.189 19108 17140 1 19 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.842 1.940 19108 17141 1 19 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.046 0.183 19108 17142 1 19 . 1 1 179 179 LEU H H 179 7.148 7.148 7.755 -0.607 19108 17143 1 19 . 1 1 180 180 ASP N N 180 119.476 119.476 119.270 0.206 19108 17144 1 19 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.336 0.156 19108 17145 1 19 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.129 -0.190 19108 17146 1 19 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.749 0.964 19108 17147 1 19 . 1 1 180 180 ASP H H 180 8.874 8.874 8.734 0.140 19108 17148 1 19 . 1 1 181 181 GLU N N 181 122.379 122.379 120.871 1.508 19108 17149 1 19 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.926 0.086 19108 17150 1 19 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.441 0.528 19108 17151 1 19 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.467 -0.541 19108 17152 1 19 . 1 1 181 181 GLU H H 181 8.712 8.712 8.408 0.304 19108 17153 1 19 . 1 1 182 182 HIS N N 182 118.572 118.572 117.591 0.981 19108 17154 1 19 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.347 0.407 19108 17155 1 19 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.180 -0.151 19108 17156 1 19 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.476 -0.628 19108 17157 1 19 . 1 1 182 182 HIS H H 182 8.854 8.854 8.372 0.482 19108 17158 1 19 . 1 1 183 183 SER N N 183 116.329 116.329 114.869 1.460 19108 17159 1 19 . 1 1 183 183 SER HA H 183 4.554 4.554 4.182 0.372 19108 17160 1 19 . 1 1 183 183 SER CA C 183 63.604 63.604 61.558 2.046 19108 17161 1 19 . 1 1 183 183 SER CB C 183 65.216 65.216 63.003 2.213 19108 17162 1 19 . 1 1 183 183 SER H H 183 8.665 8.665 8.361 0.304 19108 17163 1 19 . 1 1 184 184 GLN N N 184 122.215 122.215 121.302 0.913 19108 17164 1 19 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.068 0.179 19108 17165 1 19 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.846 0.114 19108 17166 1 19 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.821 0.114 19108 17167 1 19 . 1 1 184 184 GLN H H 184 8.714 8.714 8.055 0.659 19108 17168 1 19 . 1 1 185 185 ALA N N 185 124.432 124.432 123.237 1.195 19108 17169 1 19 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.141 0.143 19108 17170 1 19 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.078 0.391 19108 17171 1 19 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.202 0.172 19108 17172 1 19 . 1 1 185 185 ALA H H 185 8.258 8.258 7.596 0.661 19108 17173 1 19 . 1 1 186 186 LEU N N 186 119.941 119.941 118.625 1.316 19108 17174 1 19 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.875 0.337 19108 17175 1 19 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.073 0.143 19108 17176 1 19 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.543 1.221 19108 17177 1 19 . 1 1 186 186 LEU H H 186 8.953 8.953 7.966 0.987 19108 17178 1 19 . 1 1 187 187 SER N N 187 116.987 116.987 114.001 2.986 19108 17179 1 19 . 1 1 187 187 SER HA H 187 4.039 4.039 4.091 -0.052 19108 17180 1 19 . 1 1 187 187 SER CA C 187 63.302 63.302 62.006 1.296 19108 17181 1 19 . 1 1 187 187 SER CB C 187 62.760 62.760 62.964 -0.204 19108 17182 1 19 . 1 1 187 187 SER H H 187 8.935 8.935 8.663 0.272 19108 17183 1 19 . 1 1 188 188 GLY N N 188 110.215 110.215 109.611 0.604 19108 17184 1 19 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.116 0.038 19108 17185 1 19 . 1 1 188 188 GLY H H 188 8.228 8.228 8.066 0.162 19108 17186 1 19 . 1 1 189 189 ARG N N 189 122.994 122.994 122.235 0.759 19108 17187 1 19 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.129 0.108 19108 17188 1 19 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.124 0.435 19108 17189 1 19 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.151 0.245 19108 17190 1 19 . 1 1 189 189 ARG H H 189 7.838 7.838 7.518 0.320 19108 17191 1 19 . 1 1 190 190 LEU N N 190 119.765 119.765 120.932 -1.167 19108 17192 1 19 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.069 0.169 19108 17193 1 19 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.094 0.125 19108 17194 1 19 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.944 -0.702 19108 17195 1 19 . 1 1 190 190 LEU H H 190 8.791 8.791 7.782 1.009 19108 17196 1 19 . 1 1 191 191 ARG N N 191 118.427 118.427 118.335 0.092 19108 17197 1 19 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.003 0.040 19108 17198 1 19 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.661 0.121 19108 17199 1 19 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.867 0.324 19108 17200 1 19 . 1 1 191 191 ARG H H 191 8.305 8.305 8.858 -0.553 19108 17201 1 19 . 1 1 192 192 ALA N N 192 119.414 119.414 121.839 -2.425 19108 17202 1 19 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.085 0.132 19108 17203 1 19 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.989 -0.273 19108 17204 1 19 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.447 -0.282 19108 17205 1 19 . 1 1 192 192 ALA H H 192 7.414 7.414 7.362 0.052 19108 17206 1 19 . 1 1 193 193 ILE N N 193 118.949 118.949 118.331 0.618 19108 17207 1 19 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.904 -0.134 19108 17208 1 19 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.595 1.243 19108 17209 1 19 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.989 1.457 19108 17210 1 19 . 1 1 193 193 ILE H H 193 7.896 7.896 7.651 0.245 19108 17211 1 19 . 1 1 194 194 LEU N N 194 116.435 116.435 118.449 -2.014 19108 17212 1 19 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.115 0.158 19108 17213 1 19 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.113 -0.400 19108 17214 1 19 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.457 -0.986 19108 17215 1 19 . 1 1 194 194 LEU H H 194 8.296 8.296 8.296 -0.000 19108 17216 1 19 . 1 1 195 195 GLN N N 195 118.580 118.580 116.470 2.110 19108 17217 1 19 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.917 0.418 19108 17218 1 19 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.061 -1.644 19108 17219 1 19 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.731 0.867 19108 17220 1 19 . 1 1 195 195 GLN H H 195 7.921 7.921 8.404 -0.483 19108 17221 1 19 . 1 1 196 196 ASN N N 196 118.941 118.941 118.217 0.724 19108 17222 1 19 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.446 0.256 19108 17223 1 19 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.439 0.011 19108 17224 1 19 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.482 0.343 19108 17225 1 19 . 1 1 196 196 ASN H H 196 8.078 8.078 8.586 -0.508 19108 17226 1 19 . 1 1 197 197 GLN N N 197 120.984 120.984 122.554 -1.570 19108 17227 1 19 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.245 0.111 19108 17228 1 19 . 1 1 197 197 GLN CA C 197 56.166 56.166 57.333 -1.167 19108 17229 1 19 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.376 0.120 19108 17230 1 19 . 1 1 197 197 GLN H H 197 8.526 8.526 8.699 -0.173 19108 17231 1 19 . 1 1 198 198 GLY N N 198 109.565 109.565 106.820 2.745 19108 17232 1 19 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.265 0.119 19108 17233 1 19 . 1 1 198 198 GLY H H 198 8.467 8.467 8.142 0.325 19108 17234 1 20 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.074 0.300 19108 17235 1 20 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.646 -0.298 19108 17236 1 20 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.208 0.245 19108 17237 1 20 . 1 1 3 3 ALA N N 3 125.932 125.932 126.849 -0.917 19108 17238 1 20 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.696 -0.346 19108 17239 1 20 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.750 0.657 19108 17240 1 20 . 1 1 3 3 ALA CB C 3 19.580 19.580 20.893 -1.313 19108 17241 1 20 . 1 1 3 3 ALA H H 3 8.526 8.526 8.312 0.214 19108 17242 1 20 . 1 1 4 4 SER N N 4 116.729 116.729 120.647 -3.918 19108 17243 1 20 . 1 1 4 4 SER HA H 4 4.766 4.766 4.841 -0.075 19108 17244 1 20 . 1 1 4 4 SER CA C 4 56.283 56.283 56.071 0.212 19108 17245 1 20 . 1 1 4 4 SER CB C 4 63.278 63.278 62.984 0.294 19108 17246 1 20 . 1 1 4 4 SER H H 4 8.397 8.397 8.282 0.115 19108 17247 1 20 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.483 -0.037 19108 17248 1 20 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.203 0.103 19108 17249 1 20 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.170 -0.073 19108 17250 1 20 . 1 1 6 6 ALA N N 6 124.236 124.236 126.310 -2.074 19108 17251 1 20 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.493 -0.160 19108 17252 1 20 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.900 0.663 19108 17253 1 20 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.884 -0.550 19108 17254 1 20 . 1 1 6 6 ALA H H 6 8.411 8.411 8.345 0.066 19108 17255 1 20 . 1 1 7 7 SER N N 7 114.497 114.497 115.056 -0.559 19108 17256 1 20 . 1 1 7 7 SER HA H 7 4.475 4.475 4.273 0.202 19108 17257 1 20 . 1 1 7 7 SER CA C 7 58.258 58.258 58.274 -0.016 19108 17258 1 20 . 1 1 7 7 SER CB C 7 64.174 64.174 62.998 1.176 19108 17259 1 20 . 1 1 7 7 SER H H 7 8.195 8.195 8.129 0.066 19108 17260 1 20 . 1 1 8 8 GLY N N 8 110.497 110.497 108.765 1.732 19108 17261 1 20 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.703 -0.856 19108 17262 1 20 . 1 1 8 8 GLY H H 8 8.226 8.226 8.403 -0.177 19108 17263 1 20 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.369 0.080 19108 17264 1 20 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.823 0.611 19108 17265 1 20 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.561 0.633 19108 17266 1 20 . 1 1 10 10 ARG N N 10 120.534 120.534 121.029 -0.495 19108 17267 1 20 . 1 1 10 10 ARG HA H 10 4.341 4.341 3.960 0.381 19108 17268 1 20 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.752 -0.736 19108 17269 1 20 . 1 1 10 10 ARG CB C 10 30.809 30.809 29.302 1.507 19108 17270 1 20 . 1 1 10 10 ARG H H 10 8.469 8.469 8.041 0.428 19108 17271 1 20 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.750 0.075 19108 17272 1 20 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.005 0.456 19108 17273 1 20 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.188 0.003 19108 17274 1 20 . 1 1 12 12 LEU N N 12 122.284 122.284 121.850 0.434 19108 17275 1 20 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.904 0.705 19108 17276 1 20 . 1 1 12 12 LEU CB C 12 45.030 45.030 42.626 2.404 19108 17277 1 20 . 1 1 12 12 LEU H H 12 8.250 8.250 7.929 0.321 19108 17278 1 20 . 1 1 13 13 MET N N 13 121.493 121.493 119.013 2.480 19108 17279 1 20 . 1 1 13 13 MET HA H 13 4.038 4.038 4.402 -0.364 19108 17280 1 20 . 1 1 13 13 MET CA C 13 54.449 54.449 55.433 -0.984 19108 17281 1 20 . 1 1 13 13 MET CB C 13 35.015 35.015 33.387 1.628 19108 17282 1 20 . 1 1 13 13 MET H H 13 8.955 8.955 7.947 1.008 19108 17283 1 20 . 1 1 14 14 ASP N N 14 127.113 127.113 120.010 7.103 19108 17284 1 20 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.845 -0.745 19108 17285 1 20 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.099 0.357 19108 17286 1 20 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.275 2.235 19108 17287 1 20 . 1 1 14 14 ASP H H 14 8.514 8.514 8.477 0.037 19108 17288 1 20 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.039 -0.186 19108 17289 1 20 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.238 0.416 19108 17290 1 20 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.716 -0.065 19108 17291 1 20 . 1 1 16 16 HIS N N 16 115.776 115.776 115.732 0.044 19108 17292 1 20 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.545 -0.267 19108 17293 1 20 . 1 1 16 16 HIS CA C 16 58.918 58.918 58.758 0.160 19108 17294 1 20 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.552 0.656 19108 17295 1 20 . 1 1 16 16 HIS H H 16 8.591 8.591 7.399 1.192 19108 17296 1 20 . 1 1 17 17 ILE N N 17 122.675 122.675 120.417 2.258 19108 17297 1 20 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.719 -0.235 19108 17298 1 20 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.532 -1.306 19108 17299 1 20 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.614 -0.517 19108 17300 1 20 . 1 1 17 17 ILE H H 17 7.558 7.558 8.035 -0.477 19108 17301 1 20 . 1 1 18 18 PHE N N 18 120.513 120.513 121.389 -0.876 19108 17302 1 20 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.332 -0.329 19108 17303 1 20 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.475 0.329 19108 17304 1 20 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.512 0.128 19108 17305 1 20 . 1 1 18 18 PHE H H 18 7.831 7.831 8.085 -0.254 19108 17306 1 20 . 1 1 19 19 THR N N 19 114.555 114.555 114.645 -0.090 19108 17307 1 20 . 1 1 19 19 THR HA H 19 3.657 3.657 4.051 -0.394 19108 17308 1 20 . 1 1 19 19 THR CA C 19 66.485 66.485 66.395 0.090 19108 17309 1 20 . 1 1 19 19 THR CB C 19 68.345 68.345 68.262 0.083 19108 17310 1 20 . 1 1 19 19 THR H H 19 9.036 9.036 8.515 0.521 19108 17311 1 20 . 1 1 20 20 SER N N 20 113.030 113.030 115.440 -2.410 19108 17312 1 20 . 1 1 20 20 SER HA H 20 4.062 4.062 4.251 -0.189 19108 17313 1 20 . 1 1 20 20 SER CA C 20 60.610 60.610 60.977 -0.367 19108 17314 1 20 . 1 1 20 20 SER CB C 20 63.843 63.843 63.324 0.519 19108 17315 1 20 . 1 1 20 20 SER H H 20 7.809 7.809 8.482 -0.673 19108 17316 1 20 . 1 1 21 21 ASN N N 21 115.629 115.629 121.499 -5.870 19108 17317 1 20 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.198 0.213 19108 17318 1 20 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.378 1.611 19108 17319 1 20 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.373 3.207 19108 17320 1 20 . 1 1 21 21 ASN H H 21 7.362 7.362 7.659 -0.297 19108 17321 1 20 . 1 1 22 22 PHE N N 22 117.773 117.773 115.214 2.559 19108 17322 1 20 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.523 -0.250 19108 17323 1 20 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.164 -0.705 19108 17324 1 20 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.020 -1.190 19108 17325 1 20 . 1 1 22 22 PHE H H 22 8.296 8.296 8.098 0.198 19108 17326 1 20 . 1 1 23 23 ASN N N 23 115.026 115.026 121.221 -6.195 19108 17327 1 20 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.396 0.133 19108 17328 1 20 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.603 0.039 19108 17329 1 20 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.566 -1.943 19108 17330 1 20 . 1 1 23 23 ASN H H 23 6.097 6.097 7.418 -1.321 19108 17331 1 20 . 1 1 24 24 ASN N N 24 122.900 122.900 126.262 -3.362 19108 17332 1 20 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.434 -0.001 19108 17333 1 20 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.653 -0.380 19108 17334 1 20 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.721 -0.829 19108 17335 1 20 . 1 1 24 24 ASN H H 24 7.083 7.083 8.231 -1.148 19108 17336 1 20 . 1 1 25 25 GLY N N 25 105.587 105.587 112.760 -7.173 19108 17337 1 20 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.802 0.063 19108 17338 1 20 . 1 1 25 25 GLY H H 25 8.520 8.520 8.373 0.147 19108 17339 1 20 . 1 1 26 26 ILE N N 26 120.182 120.182 118.073 2.109 19108 17340 1 20 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.527 -0.353 19108 17341 1 20 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.820 1.623 19108 17342 1 20 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.680 -0.165 19108 17343 1 20 . 1 1 26 26 ILE H H 26 6.944 6.944 7.231 -0.287 19108 17344 1 20 . 1 1 27 27 GLY N N 27 111.665 111.665 107.974 3.691 19108 17345 1 20 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.178 0.140 19108 17346 1 20 . 1 1 27 27 GLY H H 27 8.457 8.457 8.281 0.176 19108 17347 1 20 . 1 1 28 28 ARG N N 28 117.565 117.565 120.042 -2.477 19108 17348 1 20 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.967 -2.402 19108 17349 1 20 . 1 1 28 28 ARG H H 28 6.741 6.741 7.687 -0.946 19108 17350 1 20 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.023 1.980 19108 17351 1 20 . 1 1 29 29 HIS CB C 29 29.044 29.044 31.114 -2.070 19108 17352 1 20 . 1 1 29 29 HIS H H 29 8.636 8.636 8.475 0.161 19108 17353 1 20 . 1 1 30 30 LYS N N 30 119.344 119.344 120.595 -1.251 19108 17354 1 20 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.337 0.084 19108 17355 1 20 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.220 0.644 19108 17356 1 20 . 1 1 30 30 LYS CB C 30 35.191 35.191 34.423 0.768 19108 17357 1 20 . 1 1 30 30 LYS H H 30 7.870 7.870 8.233 -0.363 19108 17358 1 20 . 1 1 31 31 THR N N 31 118.233 118.233 116.255 1.978 19108 17359 1 20 . 1 1 31 31 THR HA H 31 4.125 4.125 3.781 0.344 19108 17360 1 20 . 1 1 31 31 THR CA C 31 63.175 63.175 62.697 0.478 19108 17361 1 20 . 1 1 31 31 THR H H 31 8.436 8.436 7.514 0.922 19108 17362 1 20 . 1 1 32 32 TYR N N 32 124.026 124.026 120.782 3.244 19108 17363 1 20 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.086 -0.150 19108 17364 1 20 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.064 0.437 19108 17365 1 20 . 1 1 32 32 TYR CB C 32 44.404 44.404 43.320 1.084 19108 17366 1 20 . 1 1 32 32 TYR H H 32 8.244 8.244 9.041 -0.797 19108 17367 1 20 . 1 1 33 33 LEU N N 33 125.428 125.428 123.765 1.663 19108 17368 1 20 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.262 -0.183 19108 17369 1 20 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.520 1.318 19108 17370 1 20 . 1 1 33 33 LEU CB C 33 46.984 46.984 44.979 2.005 19108 17371 1 20 . 1 1 33 33 LEU H H 33 9.232 9.232 8.354 0.878 19108 17372 1 20 . 1 1 34 34 CYS N N 34 125.975 125.975 125.744 0.231 19108 17373 1 20 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.963 0.043 19108 17374 1 20 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.603 0.542 19108 17375 1 20 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.050 1.252 19108 17376 1 20 . 1 1 34 34 CYS H H 34 9.640 9.640 9.003 0.637 19108 17377 1 20 . 1 1 35 35 TYR N N 35 121.183 121.183 122.247 -1.064 19108 17378 1 20 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.710 0.778 19108 17379 1 20 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.652 0.130 19108 17380 1 20 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.782 2.308 19108 17381 1 20 . 1 1 35 35 TYR H H 35 9.094 9.094 8.360 0.734 19108 17382 1 20 . 1 1 36 36 GLU N N 36 115.538 115.538 120.976 -5.438 19108 17383 1 20 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.919 0.516 19108 17384 1 20 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.480 -0.089 19108 17385 1 20 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.753 -0.209 19108 17386 1 20 . 1 1 36 36 GLU H H 36 8.977 8.977 8.507 0.470 19108 17387 1 20 . 1 1 37 37 VAL N N 37 121.600 121.600 125.693 -4.093 19108 17388 1 20 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.420 0.739 19108 17389 1 20 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.701 -0.653 19108 17390 1 20 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.471 1.599 19108 17391 1 20 . 1 1 37 37 VAL H H 37 9.271 9.271 8.833 0.438 19108 17392 1 20 . 1 1 38 38 GLU N N 38 125.227 125.227 124.820 0.407 19108 17393 1 20 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.155 0.063 19108 17394 1 20 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.633 -0.381 19108 17395 1 20 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.059 0.868 19108 17396 1 20 . 1 1 38 38 GLU H H 38 9.114 9.114 8.516 0.598 19108 17397 1 20 . 1 1 39 39 ARG N N 39 124.872 124.872 122.980 1.892 19108 17398 1 20 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.383 0.982 19108 17399 1 20 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.916 0.331 19108 17400 1 20 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.731 -0.166 19108 17401 1 20 . 1 1 39 39 ARG H H 39 9.215 9.215 8.424 0.791 19108 17402 1 20 . 1 1 40 40 LEU N N 40 126.510 126.510 124.233 2.277 19108 17403 1 20 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.417 0.336 19108 17404 1 20 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.623 -0.300 19108 17405 1 20 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.915 -3.072 19108 17406 1 20 . 1 1 40 40 LEU H H 40 8.659 8.659 7.760 0.899 19108 17407 1 20 . 1 1 41 41 ASP N N 41 124.410 124.410 123.440 0.970 19108 17408 1 20 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.727 0.066 19108 17409 1 20 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.935 -0.717 19108 17410 1 20 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.634 -0.901 19108 17411 1 20 . 1 1 41 41 ASP H H 41 8.575 8.575 8.141 0.434 19108 17412 1 20 . 1 1 42 42 ASN N N 42 123.319 123.319 123.052 0.267 19108 17413 1 20 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.386 0.034 19108 17414 1 20 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.370 0.804 19108 17415 1 20 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.343 -0.496 19108 17416 1 20 . 1 1 42 42 ASN H H 42 9.048 9.048 8.726 0.323 19108 17417 1 20 . 1 1 43 43 GLY N N 43 106.044 106.044 103.270 2.774 19108 17418 1 20 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.438 -0.044 19108 17419 1 20 . 1 1 43 43 GLY H H 43 8.548 8.548 8.317 0.231 19108 17420 1 20 . 1 1 44 44 THR N N 44 115.893 115.893 120.110 -4.217 19108 17421 1 20 . 1 1 44 44 THR HA H 44 4.524 4.524 4.361 0.163 19108 17422 1 20 . 1 1 44 44 THR CA C 44 61.285 61.285 62.576 -1.291 19108 17423 1 20 . 1 1 44 44 THR CB C 44 70.572 70.572 68.419 2.153 19108 17424 1 20 . 1 1 44 44 THR H H 44 7.833 7.833 7.824 0.009 19108 17425 1 20 . 1 1 45 45 SER N N 45 119.589 119.589 122.678 -3.089 19108 17426 1 20 . 1 1 45 45 SER HA H 45 4.804 4.804 4.986 -0.182 19108 17427 1 20 . 1 1 45 45 SER CA C 45 58.080 58.080 58.438 -0.358 19108 17428 1 20 . 1 1 45 45 SER CB C 45 64.265 64.265 64.283 -0.018 19108 17429 1 20 . 1 1 45 45 SER H H 45 8.590 8.590 8.488 0.102 19108 17430 1 20 . 1 1 46 46 VAL N N 46 125.827 125.827 118.982 6.845 19108 17431 1 20 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.622 -0.329 19108 17432 1 20 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.334 1.508 19108 17433 1 20 . 1 1 46 46 VAL CB C 46 33.517 33.517 34.233 -0.716 19108 17434 1 20 . 1 1 46 46 VAL H H 46 9.034 9.034 8.716 0.318 19108 17435 1 20 . 1 1 47 47 LYS N N 47 126.528 126.528 126.794 -0.266 19108 17436 1 20 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.695 -0.410 19108 17437 1 20 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.749 1.916 19108 17438 1 20 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.597 -0.805 19108 17439 1 20 . 1 1 47 47 LYS H H 47 8.738 8.738 8.273 0.465 19108 17440 1 20 . 1 1 48 48 MET N N 48 122.645 122.645 121.651 0.994 19108 17441 1 20 . 1 1 48 48 MET HA H 48 5.195 5.195 4.714 0.481 19108 17442 1 20 . 1 1 48 48 MET CA C 48 54.747 54.747 54.902 -0.155 19108 17443 1 20 . 1 1 48 48 MET CB C 48 32.379 32.379 35.118 -2.739 19108 17444 1 20 . 1 1 48 48 MET H H 48 8.334 8.334 8.194 0.140 19108 17445 1 20 . 1 1 49 49 ASP N N 49 123.713 123.713 119.129 4.584 19108 17446 1 20 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.534 -0.110 19108 17447 1 20 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.174 1.436 19108 17448 1 20 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.789 0.245 19108 17449 1 20 . 1 1 49 49 ASP H H 49 8.575 8.575 8.634 -0.059 19108 17450 1 20 . 1 1 50 50 GLN N N 50 117.540 117.540 120.445 -2.905 19108 17451 1 20 . 1 1 50 50 GLN H H 50 9.110 9.110 8.549 0.561 19108 17452 1 20 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.785 0.366 19108 17453 1 20 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.157 -1.323 19108 17454 1 20 . 1 1 51 51 HIS H H 51 8.031 8.031 8.389 -0.358 19108 17455 1 20 . 1 1 52 52 ARG N N 52 117.888 117.888 117.869 0.019 19108 17456 1 20 . 1 1 52 52 ARG HA H 52 5.237 5.237 5.028 0.209 19108 17457 1 20 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.262 0.793 19108 17458 1 20 . 1 1 52 52 ARG CB C 52 33.054 33.054 33.268 -0.214 19108 17459 1 20 . 1 1 52 52 ARG H H 52 7.685 7.685 7.580 0.105 19108 17460 1 20 . 1 1 53 53 GLY N N 53 108.573 108.573 105.804 2.769 19108 17461 1 20 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.387 0.321 19108 17462 1 20 . 1 1 53 53 GLY H H 53 7.529 7.529 7.150 0.379 19108 17463 1 20 . 1 1 54 54 PHE N N 54 113.146 113.146 116.257 -3.111 19108 17464 1 20 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.576 0.419 19108 17465 1 20 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.904 -0.048 19108 17466 1 20 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.485 2.878 19108 17467 1 20 . 1 1 54 54 PHE H H 54 8.287 8.287 7.895 0.392 19108 17468 1 20 . 1 1 55 55 LEU N N 55 119.389 119.389 119.633 -0.244 19108 17469 1 20 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.150 0.545 19108 17470 1 20 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.281 1.431 19108 17471 1 20 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.294 0.334 19108 17472 1 20 . 1 1 55 55 LEU H H 55 9.452 9.452 8.893 0.559 19108 17473 1 20 . 1 1 56 56 HIS N N 56 114.176 114.176 114.782 -0.606 19108 17474 1 20 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.764 0.674 19108 17475 1 20 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.328 0.137 19108 17476 1 20 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.392 -0.925 19108 17477 1 20 . 1 1 56 56 HIS H H 56 7.709 7.709 7.794 -0.085 19108 17478 1 20 . 1 1 57 57 ASN N N 57 116.522 116.522 119.913 -3.391 19108 17479 1 20 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.219 0.196 19108 17480 1 20 . 1 1 57 57 ASN CA C 57 54.184 54.184 55.279 -1.095 19108 17481 1 20 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.548 -0.886 19108 17482 1 20 . 1 1 57 57 ASN H H 57 8.684 8.684 7.871 0.813 19108 17483 1 20 . 1 1 58 58 GLN N N 58 122.850 122.850 119.131 3.719 19108 17484 1 20 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.894 0.495 19108 17485 1 20 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.304 -2.451 19108 17486 1 20 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.326 2.056 19108 17487 1 20 . 1 1 58 58 GLN H H 58 9.099 9.099 8.087 1.012 19108 17488 1 20 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.473 -0.173 19108 17489 1 20 . 1 1 59 59 ALA CA C 59 52.504 52.504 50.905 1.599 19108 17490 1 20 . 1 1 59 59 ALA CB C 59 19.421 19.421 21.247 -1.826 19108 17491 1 20 . 1 1 60 60 LYS N N 60 119.998 119.998 123.954 -3.956 19108 17492 1 20 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.202 -0.426 19108 17493 1 20 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.028 -0.727 19108 17494 1 20 . 1 1 60 60 LYS CB C 60 32.816 32.816 30.749 2.067 19108 17495 1 20 . 1 1 60 60 LYS H H 60 8.344 8.344 8.587 -0.243 19108 17496 1 20 . 1 1 61 61 ASN N N 61 119.688 119.688 120.938 -1.250 19108 17497 1 20 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.938 -0.483 19108 17498 1 20 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.322 -0.418 19108 17499 1 20 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.766 -1.229 19108 17500 1 20 . 1 1 61 61 ASN H H 61 8.643 8.643 8.627 0.016 19108 17501 1 20 . 1 1 62 62 LEU N N 62 124.761 124.761 122.216 2.545 19108 17502 1 20 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.373 -0.439 19108 17503 1 20 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.821 1.424 19108 17504 1 20 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.796 -0.853 19108 17505 1 20 . 1 1 62 62 LEU H H 62 8.873 8.873 8.604 0.269 19108 17506 1 20 . 1 1 63 63 LEU N N 63 120.312 120.312 120.055 0.257 19108 17507 1 20 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.158 0.041 19108 17508 1 20 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.187 -0.110 19108 17509 1 20 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.770 -0.513 19108 17510 1 20 . 1 1 63 63 LEU H H 63 8.145 8.145 8.029 0.116 19108 17511 1 20 . 1 1 64 64 CYS N N 64 113.898 113.898 118.351 -4.453 19108 17512 1 20 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.477 -0.306 19108 17513 1 20 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.412 -0.628 19108 17514 1 20 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.194 -0.476 19108 17515 1 20 . 1 1 64 64 CYS H H 64 7.376 7.376 7.881 -0.505 19108 17516 1 20 . 1 1 65 65 GLY N N 65 108.894 108.894 110.583 -1.689 19108 17517 1 20 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.628 1.355 19108 17518 1 20 . 1 1 65 65 GLY H H 65 7.789 7.789 7.587 0.202 19108 17519 1 20 . 1 1 66 66 PHE N N 66 118.711 118.711 116.811 1.900 19108 17520 1 20 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.022 -0.105 19108 17521 1 20 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.703 -2.763 19108 17522 1 20 . 1 1 66 66 PHE CB C 66 40.268 40.268 38.311 1.957 19108 17523 1 20 . 1 1 66 66 PHE H H 66 7.699 7.699 7.544 0.155 19108 17524 1 20 . 1 1 67 67 TYR N N 67 124.623 124.623 126.666 -2.043 19108 17525 1 20 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.178 0.122 19108 17526 1 20 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.837 0.927 19108 17527 1 20 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.380 -1.227 19108 17528 1 20 . 1 1 67 67 TYR H H 67 8.568 8.568 8.435 0.133 19108 17529 1 20 . 1 1 69 69 ARG N N 69 121.427 121.427 120.675 0.752 19108 17530 1 20 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.410 2.647 19108 17531 1 20 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.416 -0.120 19108 17532 1 20 . 1 1 69 69 ARG H H 69 8.313 8.313 7.581 0.732 19108 17533 1 20 . 1 1 70 70 HIS N N 70 128.351 128.351 121.384 6.967 19108 17534 1 20 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.467 0.315 19108 17535 1 20 . 1 1 70 70 HIS CA C 70 56.716 56.716 57.252 -0.536 19108 17536 1 20 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.245 0.531 19108 17537 1 20 . 1 1 70 70 HIS H H 70 9.182 9.182 8.907 0.275 19108 17538 1 20 . 1 1 71 71 ALA N N 71 125.649 125.649 129.427 -3.778 19108 17539 1 20 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.888 -0.531 19108 17540 1 20 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.181 0.601 19108 17541 1 20 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.797 -0.787 19108 17542 1 20 . 1 1 71 71 ALA H H 71 8.968 8.968 9.057 -0.089 19108 17543 1 20 . 1 1 72 72 GLU N N 72 119.941 119.941 118.500 1.441 19108 17544 1 20 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.788 -0.811 19108 17545 1 20 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.177 1.779 19108 17546 1 20 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.201 -1.194 19108 17547 1 20 . 1 1 72 72 GLU H H 72 12.692 12.692 8.586 4.106 19108 17548 1 20 . 1 1 73 73 LEU N N 73 114.882 114.882 120.177 -5.295 19108 17549 1 20 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.051 -0.466 19108 17550 1 20 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.562 -0.901 19108 17551 1 20 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.604 -2.359 19108 17552 1 20 . 1 1 73 73 LEU H H 73 6.637 6.637 8.322 -1.685 19108 17553 1 20 . 1 1 74 74 ARG N N 74 117.799 117.799 118.612 -0.813 19108 17554 1 20 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.118 -0.076 19108 17555 1 20 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.063 -0.888 19108 17556 1 20 . 1 1 74 74 ARG H H 74 7.556 7.556 7.483 0.073 19108 17557 1 20 . 1 1 75 75 PHE N N 75 119.783 119.783 118.181 1.602 19108 17558 1 20 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.172 -0.611 19108 17559 1 20 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.842 1.832 19108 17560 1 20 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.170 -1.132 19108 17561 1 20 . 1 1 75 75 PHE H H 75 8.233 8.233 7.561 0.672 19108 17562 1 20 . 1 1 76 76 LEU N N 76 119.526 119.526 121.083 -1.557 19108 17563 1 20 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.626 -0.068 19108 17564 1 20 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.584 0.456 19108 17565 1 20 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.657 -2.641 19108 17566 1 20 . 1 1 76 76 LEU H H 76 7.629 7.629 8.215 -0.586 19108 17567 1 20 . 1 1 77 77 ASP N N 77 118.215 118.215 119.508 -1.293 19108 17568 1 20 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.403 -0.245 19108 17569 1 20 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.720 -0.320 19108 17570 1 20 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.938 -0.570 19108 17571 1 20 . 1 1 77 77 ASP H H 77 8.190 8.190 7.619 0.571 19108 17572 1 20 . 1 1 78 78 LEU N N 78 117.496 117.496 119.743 -2.247 19108 17573 1 20 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.263 0.027 19108 17574 1 20 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.120 -0.135 19108 17575 1 20 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.149 0.252 19108 17576 1 20 . 1 1 78 78 LEU H H 78 7.252 7.252 7.559 -0.307 19108 17577 1 20 . 1 1 79 79 VAL N N 79 120.915 120.915 122.222 -1.307 19108 17578 1 20 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.519 -0.296 19108 17579 1 20 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.122 0.406 19108 17580 1 20 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.739 0.381 19108 17581 1 20 . 1 1 79 79 VAL H H 79 7.179 7.179 6.917 0.262 19108 17582 1 20 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.301 -0.326 19108 17583 1 20 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.290 1.497 19108 17584 1 20 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.134 -1.326 19108 17585 1 20 . 1 1 81 81 SER N N 81 112.727 112.727 112.459 0.268 19108 17586 1 20 . 1 1 81 81 SER HA H 81 4.314 4.314 4.264 0.050 19108 17587 1 20 . 1 1 81 81 SER CA C 81 60.618 60.618 60.640 -0.022 19108 17588 1 20 . 1 1 81 81 SER CB C 81 63.450 63.450 63.424 0.026 19108 17589 1 20 . 1 1 81 81 SER H H 81 7.828 7.828 7.771 0.057 19108 17590 1 20 . 1 1 82 82 LEU N N 82 120.918 120.918 118.398 2.520 19108 17591 1 20 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.695 -0.821 19108 17592 1 20 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.881 0.611 19108 17593 1 20 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.782 -3.571 19108 17594 1 20 . 1 1 82 82 LEU H H 82 7.912 7.912 7.746 0.166 19108 17595 1 20 . 1 1 83 83 GLN N N 83 111.397 111.397 117.512 -6.115 19108 17596 1 20 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.973 -0.165 19108 17597 1 20 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.230 -0.064 19108 17598 1 20 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.540 0.128 19108 17599 1 20 . 1 1 83 83 GLN H H 83 7.458 7.458 7.737 -0.279 19108 17600 1 20 . 1 1 84 84 LEU N N 84 118.520 118.520 121.237 -2.717 19108 17601 1 20 . 1 1 84 84 LEU HA H 84 3.719 3.719 3.984 -0.265 19108 17602 1 20 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.019 -0.277 19108 17603 1 20 . 1 1 84 84 LEU CB C 84 39.245 39.245 40.657 -1.412 19108 17604 1 20 . 1 1 84 84 LEU H H 84 8.736 8.736 8.392 0.344 19108 17605 1 20 . 1 1 85 85 ASP N N 85 126.187 126.187 126.745 -0.558 19108 17606 1 20 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.801 0.082 19108 17607 1 20 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.506 -1.160 19108 17608 1 20 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.218 0.730 19108 17609 1 20 . 1 1 85 85 ASP H H 85 8.415 8.415 7.936 0.479 19108 17610 1 20 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.290 -0.362 19108 17611 1 20 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.444 0.194 19108 17612 1 20 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.780 -0.495 19108 17613 1 20 . 1 1 87 87 ALA N N 87 121.030 121.030 122.596 -1.566 19108 17614 1 20 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.049 0.369 19108 17615 1 20 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.411 -2.239 19108 17616 1 20 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.788 0.560 19108 17617 1 20 . 1 1 87 87 ALA H H 87 8.504 8.504 8.196 0.308 19108 17618 1 20 . 1 1 88 88 GLN N N 88 119.601 119.601 116.659 2.942 19108 17619 1 20 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.419 0.103 19108 17620 1 20 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.574 -1.139 19108 17621 1 20 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.318 -0.269 19108 17622 1 20 . 1 1 88 88 GLN H H 88 8.125 8.125 8.157 -0.032 19108 17623 1 20 . 1 1 89 89 ILE N N 89 118.195 118.195 119.681 -1.486 19108 17624 1 20 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.252 0.717 19108 17625 1 20 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.715 -1.174 19108 17626 1 20 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.836 0.416 19108 17627 1 20 . 1 1 89 89 ILE H H 89 8.099 8.099 8.347 -0.248 19108 17628 1 20 . 1 1 90 90 TYR N N 90 122.421 122.421 122.606 -0.185 19108 17629 1 20 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.084 0.277 19108 17630 1 20 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.163 -1.123 19108 17631 1 20 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.545 -0.719 19108 17632 1 20 . 1 1 90 90 TYR H H 90 8.892 8.892 8.075 0.817 19108 17633 1 20 . 1 1 91 91 ARG N N 91 121.043 121.043 121.494 -0.451 19108 17634 1 20 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.934 0.309 19108 17635 1 20 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.615 -1.080 19108 17636 1 20 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.795 -0.663 19108 17637 1 20 . 1 1 91 91 ARG H H 91 9.327 9.327 9.136 0.191 19108 17638 1 20 . 1 1 92 92 VAL N N 92 132.287 132.287 128.572 3.715 19108 17639 1 20 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.131 -0.207 19108 17640 1 20 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.461 0.444 19108 17641 1 20 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.843 0.010 19108 17642 1 20 . 1 1 92 92 VAL H H 92 9.668 9.668 8.451 1.217 19108 17643 1 20 . 1 1 93 93 THR N N 93 124.468 124.468 124.968 -0.500 19108 17644 1 20 . 1 1 93 93 THR HA H 93 5.264 5.264 4.614 0.650 19108 17645 1 20 . 1 1 93 93 THR CA C 93 61.616 61.616 62.915 -1.299 19108 17646 1 20 . 1 1 93 93 THR CB C 93 70.082 70.082 69.718 0.364 19108 17647 1 20 . 1 1 93 93 THR H H 93 9.381 9.381 9.184 0.197 19108 17648 1 20 . 1 1 94 94 TRP N N 94 124.491 124.491 127.818 -3.327 19108 17649 1 20 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.811 0.855 19108 17650 1 20 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.156 -2.950 19108 17651 1 20 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.852 2.816 19108 17652 1 20 . 1 1 94 94 TRP H H 94 9.071 9.071 9.069 0.002 19108 17653 1 20 . 1 1 95 95 PHE N N 95 122.179 122.179 122.569 -0.390 19108 17654 1 20 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.999 0.671 19108 17655 1 20 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.239 -0.466 19108 17656 1 20 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.159 -0.710 19108 17657 1 20 . 1 1 95 95 PHE H H 95 9.578 9.578 8.467 1.111 19108 17658 1 20 . 1 1 96 96 ILE N N 96 125.072 125.072 122.272 2.800 19108 17659 1 20 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.325 0.648 19108 17660 1 20 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.651 -1.224 19108 17661 1 20 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.774 4.299 19108 17662 1 20 . 1 1 96 96 ILE H H 96 9.816 9.816 9.377 0.439 19108 17663 1 20 . 1 1 97 97 SER N N 97 124.020 124.020 118.321 5.699 19108 17664 1 20 . 1 1 97 97 SER HA H 97 3.623 3.623 4.846 -1.223 19108 17665 1 20 . 1 1 97 97 SER CA C 97 61.750 61.750 60.228 1.522 19108 17666 1 20 . 1 1 97 97 SER CB C 97 63.711 63.711 64.150 -0.439 19108 17667 1 20 . 1 1 97 97 SER H H 97 9.156 9.156 8.505 0.651 19108 17668 1 20 . 1 1 98 98 TRP N N 98 114.829 114.829 121.992 -7.163 19108 17669 1 20 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.240 0.099 19108 17670 1 20 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.973 -2.302 19108 17671 1 20 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.866 2.885 19108 17672 1 20 . 1 1 98 98 TRP H H 98 6.619 6.619 8.031 -1.412 19108 17673 1 20 . 1 1 99 99 SER N N 99 115.444 115.444 118.958 -3.514 19108 17674 1 20 . 1 1 99 99 SER CA C 99 58.045 58.045 57.541 0.504 19108 17675 1 20 . 1 1 99 99 SER CB C 99 61.927 61.927 63.524 -1.597 19108 17676 1 20 . 1 1 99 99 SER H H 99 8.590 8.590 8.215 0.375 19108 17677 1 20 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.387 -1.462 19108 17678 1 20 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.405 2.391 19108 17679 1 20 . 1 1 101 101 CYS N N 101 121.768 121.768 114.447 7.321 19108 17680 1 20 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.136 0.523 19108 17681 1 20 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.031 1.158 19108 17682 1 20 . 1 1 101 101 CYS H H 101 8.686 8.686 8.422 0.264 19108 17683 1 20 . 1 1 102 102 PHE N N 102 115.031 115.031 122.981 -7.950 19108 17684 1 20 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.978 1.982 19108 17685 1 20 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.557 -2.400 19108 17686 1 20 . 1 1 102 102 PHE H H 102 9.318 9.318 7.868 1.450 19108 17687 1 20 . 1 1 103 103 SER N N 103 119.552 119.552 123.886 -4.334 19108 17688 1 20 . 1 1 103 103 SER HA H 103 3.713 3.713 4.116 -0.403 19108 17689 1 20 . 1 1 103 103 SER CA C 103 63.368 63.368 61.731 1.637 19108 17690 1 20 . 1 1 103 103 SER CB C 103 60.539 60.539 62.669 -2.130 19108 17691 1 20 . 1 1 103 103 SER H H 103 10.858 10.858 8.660 2.198 19108 17692 1 20 . 1 1 104 104 TRP N N 104 117.909 117.909 122.718 -4.809 19108 17693 1 20 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.836 -1.060 19108 17694 1 20 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.355 -0.140 19108 17695 1 20 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.838 -1.952 19108 17696 1 20 . 1 1 104 104 TRP H H 104 7.880 7.880 8.628 -0.748 19108 17697 1 20 . 1 1 105 105 GLY N N 105 106.359 106.359 108.733 -2.374 19108 17698 1 20 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.855 -0.774 19108 17699 1 20 . 1 1 105 105 GLY H H 105 7.468 7.468 8.797 -1.329 19108 17700 1 20 . 1 1 106 106 CYS N N 106 120.359 120.359 121.321 -0.962 19108 17701 1 20 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.305 -0.446 19108 17702 1 20 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.172 3.930 19108 17703 1 20 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.270 2.449 19108 17704 1 20 . 1 1 106 106 CYS H H 106 7.366 7.366 8.257 -0.891 19108 17705 1 20 . 1 1 107 107 ALA N N 107 119.725 119.725 122.704 -2.979 19108 17706 1 20 . 1 1 107 107 ALA HA H 107 3.865 3.865 3.990 -0.125 19108 17707 1 20 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.300 1.634 19108 17708 1 20 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.133 0.310 19108 17709 1 20 . 1 1 107 107 ALA H H 107 8.719 8.719 8.529 0.190 19108 17710 1 20 . 1 1 108 108 GLY N N 108 103.829 103.829 107.020 -3.191 19108 17711 1 20 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.078 -0.184 19108 17712 1 20 . 1 1 108 108 GLY H H 108 8.555 8.555 8.428 0.127 19108 17713 1 20 . 1 1 109 109 GLU N N 109 123.162 123.162 122.061 1.101 19108 17714 1 20 . 1 1 109 109 GLU HA H 109 4.266 4.266 3.885 0.381 19108 17715 1 20 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.017 0.276 19108 17716 1 20 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.623 0.759 19108 17717 1 20 . 1 1 109 109 GLU H H 109 8.023 8.023 7.510 0.513 19108 17718 1 20 . 1 1 110 110 VAL N N 110 121.866 121.866 119.338 2.528 19108 17719 1 20 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.650 0.049 19108 17720 1 20 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.228 0.815 19108 17721 1 20 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.567 -0.561 19108 17722 1 20 . 1 1 110 110 VAL H H 110 8.942 8.942 7.829 1.113 19108 17723 1 20 . 1 1 111 111 ARG N N 111 120.587 120.587 120.504 0.083 19108 17724 1 20 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.835 -0.049 19108 17725 1 20 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.852 0.229 19108 17726 1 20 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.069 -0.894 19108 17727 1 20 . 1 1 111 111 ARG H H 111 8.653 8.653 8.337 0.316 19108 17728 1 20 . 1 1 112 112 ALA N N 112 120.687 120.687 121.792 -1.105 19108 17729 1 20 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.990 0.144 19108 17730 1 20 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.233 0.185 19108 17731 1 20 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.230 -0.239 19108 17732 1 20 . 1 1 112 112 ALA H H 112 7.875 7.875 7.927 -0.052 19108 17733 1 20 . 1 1 113 113 PHE N N 113 118.950 118.950 117.102 1.848 19108 17734 1 20 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.363 -0.026 19108 17735 1 20 . 1 1 113 113 PHE CA C 113 61.376 61.376 60.978 0.398 19108 17736 1 20 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.230 0.157 19108 17737 1 20 . 1 1 113 113 PHE H H 113 8.139 8.139 7.721 0.418 19108 17738 1 20 . 1 1 114 114 LEU N N 114 120.595 120.595 117.937 2.658 19108 17739 1 20 . 1 1 114 114 LEU HA H 114 3.800 3.800 4.050 -0.250 19108 17740 1 20 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.028 0.105 19108 17741 1 20 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.425 -1.516 19108 17742 1 20 . 1 1 114 114 LEU H H 114 8.639 8.639 7.802 0.837 19108 17743 1 20 . 1 1 115 115 GLN N N 115 117.666 117.666 118.191 -0.525 19108 17744 1 20 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.008 0.015 19108 17745 1 20 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.758 -0.372 19108 17746 1 20 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.626 -0.088 19108 17747 1 20 . 1 1 115 115 GLN H H 115 8.167 8.167 8.541 -0.374 19108 17748 1 20 . 1 1 116 116 GLU N N 116 115.380 115.380 115.860 -0.480 19108 17749 1 20 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.398 -0.076 19108 17750 1 20 . 1 1 116 116 GLU CA C 116 57.062 57.062 55.837 1.224 19108 17751 1 20 . 1 1 116 116 GLU CB C 116 30.715 30.715 29.767 0.948 19108 17752 1 20 . 1 1 116 116 GLU H H 116 7.448 7.448 7.662 -0.214 19108 17753 1 20 . 1 1 117 117 ASN N N 117 119.831 119.831 118.397 1.434 19108 17754 1 20 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.684 0.381 19108 17755 1 20 . 1 1 117 117 ASN CA C 117 52.185 52.185 53.230 -1.045 19108 17756 1 20 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.916 -0.670 19108 17757 1 20 . 1 1 117 117 ASN H H 117 7.632 7.632 8.202 -0.570 19108 17758 1 20 . 1 1 118 118 THR N N 118 111.041 111.041 113.424 -2.383 19108 17759 1 20 . 1 1 118 118 THR HA H 118 4.317 4.317 4.044 0.273 19108 17760 1 20 . 1 1 118 118 THR CA C 118 64.081 64.081 64.267 -0.186 19108 17761 1 20 . 1 1 118 118 THR CB C 118 68.767 68.767 68.679 0.088 19108 17762 1 20 . 1 1 118 118 THR H H 118 8.054 8.054 7.800 0.254 19108 17763 1 20 . 1 1 119 119 HIS N N 119 120.403 120.403 116.200 4.203 19108 17764 1 20 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.626 -0.337 19108 17765 1 20 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.588 1.013 19108 17766 1 20 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.261 1.059 19108 17767 1 20 . 1 1 119 119 HIS H H 119 9.248 9.248 7.979 1.269 19108 17768 1 20 . 1 1 120 120 VAL N N 120 120.001 120.001 118.473 1.528 19108 17769 1 20 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.669 -0.143 19108 17770 1 20 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.517 2.373 19108 17771 1 20 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.501 -1.506 19108 17772 1 20 . 1 1 120 120 VAL H H 120 7.379 7.379 7.559 -0.180 19108 17773 1 20 . 1 1 121 121 ARG N N 121 125.312 125.312 129.446 -4.134 19108 17774 1 20 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.475 0.335 19108 17775 1 20 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.414 -2.347 19108 17776 1 20 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.274 -0.694 19108 17777 1 20 . 1 1 121 121 ARG H H 121 8.775 8.775 8.382 0.393 19108 17778 1 20 . 1 1 122 122 LEU N N 122 125.483 125.483 128.417 -2.934 19108 17779 1 20 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.963 0.197 19108 17780 1 20 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.105 0.196 19108 17781 1 20 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.008 2.664 19108 17782 1 20 . 1 1 122 122 LEU H H 122 9.345 9.345 8.726 0.619 19108 17783 1 20 . 1 1 123 123 ARG N N 123 127.748 127.748 125.378 2.370 19108 17784 1 20 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.220 0.516 19108 17785 1 20 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.965 -0.798 19108 17786 1 20 . 1 1 123 123 ARG CB C 123 32.812 32.812 30.861 1.951 19108 17787 1 20 . 1 1 123 123 ARG H H 123 9.053 9.053 8.209 0.844 19108 17788 1 20 . 1 1 124 124 ILE N N 124 123.665 123.665 124.217 -0.552 19108 17789 1 20 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.153 0.289 19108 17790 1 20 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.451 2.308 19108 17791 1 20 . 1 1 124 124 ILE CB C 124 41.893 41.893 38.033 3.860 19108 17792 1 20 . 1 1 124 124 ILE H H 124 9.019 9.019 8.486 0.533 19108 17793 1 20 . 1 1 125 125 PHE N N 125 126.320 126.320 126.353 -0.033 19108 17794 1 20 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.459 -0.294 19108 17795 1 20 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.676 0.238 19108 17796 1 20 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.722 -0.903 19108 17797 1 20 . 1 1 125 125 PHE H H 125 9.359 9.359 8.123 1.236 19108 17798 1 20 . 1 1 126 126 ALA N N 126 124.526 124.526 127.673 -3.147 19108 17799 1 20 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.182 0.634 19108 17800 1 20 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.183 -1.313 19108 17801 1 20 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.683 0.651 19108 17802 1 20 . 1 1 126 126 ALA H H 126 9.091 9.091 8.628 0.463 19108 17803 1 20 . 1 1 127 127 ALA N N 127 126.272 126.272 128.769 -2.497 19108 17804 1 20 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.438 0.313 19108 17805 1 20 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.718 1.750 19108 17806 1 20 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.704 -0.099 19108 17807 1 20 . 1 1 127 127 ALA H H 127 9.049 9.049 9.137 -0.088 19108 17808 1 20 . 1 1 128 128 ARG N N 128 108.570 108.570 117.536 -8.966 19108 17809 1 20 . 1 1 128 128 ARG CA C 128 54.414 54.414 55.132 -0.718 19108 17810 1 20 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.574 3.632 19108 17811 1 20 . 1 1 128 128 ARG H H 128 6.741 6.741 7.849 -1.108 19108 17812 1 20 . 1 1 129 129 ILE N N 129 121.285 121.285 123.099 -1.814 19108 17813 1 20 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.226 0.065 19108 17814 1 20 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.870 -0.003 19108 17815 1 20 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.187 0.642 19108 17816 1 20 . 1 1 129 129 ILE H H 129 8.340 8.340 8.329 0.012 19108 17817 1 20 . 1 1 130 130 TYR N N 130 130.143 130.143 128.957 1.186 19108 17818 1 20 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.529 0.806 19108 17819 1 20 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.431 -0.505 19108 17820 1 20 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.632 -2.469 19108 17821 1 20 . 1 1 130 130 TYR H H 130 8.870 8.870 8.540 0.330 19108 17822 1 20 . 1 1 131 131 ASP N N 131 123.662 123.662 123.911 -0.249 19108 17823 1 20 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.883 -1.216 19108 17824 1 20 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.130 1.583 19108 17825 1 20 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.829 -3.928 19108 17826 1 20 . 1 1 131 131 ASP H H 131 8.123 8.123 7.909 0.214 19108 17827 1 20 . 1 1 132 132 TYR N N 132 116.852 116.852 114.803 2.049 19108 17828 1 20 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.624 -0.709 19108 17829 1 20 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.436 1.032 19108 17830 1 20 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.277 0.760 19108 17831 1 20 . 1 1 132 132 TYR H H 132 6.448 6.448 8.414 -1.966 19108 17832 1 20 . 1 1 133 133 ASP N N 133 116.930 116.930 121.037 -4.107 19108 17833 1 20 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.059 -0.894 19108 17834 1 20 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.484 2.298 19108 17835 1 20 . 1 1 133 133 ASP H H 133 7.005 7.005 7.465 -0.460 19108 17836 1 20 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.350 -0.247 19108 17837 1 20 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.126 -0.425 19108 17838 1 20 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.991 0.099 19108 17839 1 20 . 1 1 135 135 LEU N N 135 120.252 120.252 117.744 2.508 19108 17840 1 20 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.820 0.878 19108 17841 1 20 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.879 -2.498 19108 17842 1 20 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.231 -1.488 19108 17843 1 20 . 1 1 135 135 LEU H H 135 8.456 8.456 7.751 0.705 19108 17844 1 20 . 1 1 136 136 TYR N N 136 117.432 117.432 119.020 -1.588 19108 17845 1 20 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.857 0.204 19108 17846 1 20 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.445 0.613 19108 17847 1 20 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.251 0.329 19108 17848 1 20 . 1 1 136 136 TYR H H 136 8.028 8.028 7.653 0.375 19108 17849 1 20 . 1 1 137 137 LYS N N 137 122.000 122.000 118.969 3.031 19108 17850 1 20 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.233 1.066 19108 17851 1 20 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.555 -0.757 19108 17852 1 20 . 1 1 137 137 LYS H H 137 7.503 7.503 7.484 0.019 19108 17853 1 20 . 1 1 138 138 GLU N N 138 121.833 121.833 118.814 3.019 19108 17854 1 20 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.020 0.821 19108 17855 1 20 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.468 -1.999 19108 17856 1 20 . 1 1 138 138 GLU H H 138 8.752 8.752 7.720 1.032 19108 17857 1 20 . 1 1 139 139 ALA N N 139 119.592 119.592 121.235 -1.643 19108 17858 1 20 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.144 -0.298 19108 17859 1 20 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.866 0.274 19108 17860 1 20 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.512 1.743 19108 17861 1 20 . 1 1 139 139 ALA H H 139 7.682 7.682 7.610 0.072 19108 17862 1 20 . 1 1 140 140 LEU N N 140 116.268 116.268 119.643 -3.375 19108 17863 1 20 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.808 0.385 19108 17864 1 20 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.342 -0.247 19108 17865 1 20 . 1 1 140 140 LEU H H 140 7.175 7.175 7.960 -0.785 19108 17866 1 20 . 1 1 141 141 GLN N N 141 117.550 117.550 117.639 -0.089 19108 17867 1 20 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.077 -0.358 19108 17868 1 20 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.947 0.104 19108 17869 1 20 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.887 -1.294 19108 17870 1 20 . 1 1 141 141 GLN H H 141 8.322 8.322 7.705 0.617 19108 17871 1 20 . 1 1 142 142 MET N N 142 118.520 118.520 120.306 -1.786 19108 17872 1 20 . 1 1 142 142 MET HA H 142 4.135 4.135 4.305 -0.170 19108 17873 1 20 . 1 1 142 142 MET CA C 142 59.051 59.051 58.750 0.301 19108 17874 1 20 . 1 1 142 142 MET CB C 142 33.170 33.170 32.853 0.317 19108 17875 1 20 . 1 1 142 142 MET H H 142 8.241 8.241 8.527 -0.286 19108 17876 1 20 . 1 1 143 143 LEU N N 143 118.659 118.659 119.392 -0.733 19108 17877 1 20 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.086 0.206 19108 17878 1 20 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.827 0.288 19108 17879 1 20 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.695 -0.318 19108 17880 1 20 . 1 1 143 143 LEU H H 143 7.932 7.932 7.725 0.207 19108 17881 1 20 . 1 1 144 144 ARG N N 144 121.294 121.294 120.127 1.167 19108 17882 1 20 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.882 0.544 19108 17883 1 20 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.526 -0.537 19108 17884 1 20 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.731 -1.623 19108 17885 1 20 . 1 1 144 144 ARG H H 144 7.968 7.968 7.760 0.208 19108 17886 1 20 . 1 1 145 145 ASP N N 145 122.553 122.553 118.509 4.044 19108 17887 1 20 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.445 -0.016 19108 17888 1 20 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.435 0.143 19108 17889 1 20 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.145 -0.555 19108 17890 1 20 . 1 1 145 145 ASP H H 145 8.868 8.868 7.963 0.905 19108 17891 1 20 . 1 1 146 146 ALA N N 146 120.102 120.102 119.776 0.326 19108 17892 1 20 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.246 0.172 19108 17893 1 20 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.797 -0.763 19108 17894 1 20 . 1 1 146 146 ALA CB C 146 19.295 19.295 18.916 0.379 19108 17895 1 20 . 1 1 146 146 ALA H H 146 7.737 7.737 7.946 -0.209 19108 17896 1 20 . 1 1 147 147 GLY N N 147 105.039 105.039 105.925 -0.886 19108 17897 1 20 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.010 -0.146 19108 17898 1 20 . 1 1 147 147 GLY H H 147 7.966 7.966 8.022 -0.056 19108 17899 1 20 . 1 1 148 148 ALA N N 148 124.181 124.181 124.504 -0.323 19108 17900 1 20 . 1 1 148 148 ALA HA H 148 4.689 4.689 3.962 0.727 19108 17901 1 20 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.808 -1.349 19108 17902 1 20 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.429 -0.950 19108 17903 1 20 . 1 1 148 148 ALA H H 148 8.051 8.051 7.939 0.112 19108 17904 1 20 . 1 1 149 149 GLN N N 149 122.185 122.185 118.537 3.648 19108 17905 1 20 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.498 -0.059 19108 17906 1 20 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.262 -0.307 19108 17907 1 20 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.676 -1.255 19108 17908 1 20 . 1 1 149 149 GLN H H 149 7.953 7.953 7.839 0.114 19108 17909 1 20 . 1 1 150 150 VAL N N 150 127.399 127.399 126.108 1.291 19108 17910 1 20 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.786 -0.034 19108 17911 1 20 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.487 -0.048 19108 17912 1 20 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.001 0.177 19108 17913 1 20 . 1 1 150 150 VAL H H 150 8.658 8.658 8.476 0.182 19108 17914 1 20 . 1 1 151 151 SER N N 151 120.616 120.616 120.252 0.364 19108 17915 1 20 . 1 1 151 151 SER HA H 151 5.179 5.179 4.905 0.274 19108 17916 1 20 . 1 1 151 151 SER CA C 151 56.981 56.981 56.927 0.054 19108 17917 1 20 . 1 1 151 151 SER CB C 151 66.538 66.538 66.890 -0.352 19108 17918 1 20 . 1 1 151 151 SER H H 151 8.737 8.737 8.252 0.485 19108 17919 1 20 . 1 1 152 152 ILE N N 152 123.180 123.180 123.331 -0.151 19108 17920 1 20 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.537 0.610 19108 17921 1 20 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.889 -4.372 19108 17922 1 20 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.181 -2.101 19108 17923 1 20 . 1 1 152 152 ILE H H 152 8.672 8.672 8.707 -0.035 19108 17924 1 20 . 1 1 153 153 MET N N 153 123.477 123.477 129.370 -5.893 19108 17925 1 20 . 1 1 153 153 MET HA H 153 3.886 3.886 4.306 -0.420 19108 17926 1 20 . 1 1 153 153 MET CA C 153 59.053 59.053 56.439 2.614 19108 17927 1 20 . 1 1 153 153 MET CB C 153 34.793 34.793 32.459 2.334 19108 17928 1 20 . 1 1 153 153 MET H H 153 8.314 8.314 8.179 0.135 19108 17929 1 20 . 1 1 154 154 THR N N 154 117.621 117.621 119.750 -2.129 19108 17930 1 20 . 1 1 154 154 THR HA H 154 4.951 4.951 4.650 0.301 19108 17931 1 20 . 1 1 154 154 THR CA C 154 60.436 60.436 60.734 -0.298 19108 17932 1 20 . 1 1 154 154 THR CB C 154 72.370 72.370 70.880 1.490 19108 17933 1 20 . 1 1 154 154 THR H H 154 9.630 9.630 8.058 1.572 19108 17934 1 20 . 1 1 155 155 TYR N N 155 121.751 121.751 125.703 -3.952 19108 17935 1 20 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.203 -0.104 19108 17936 1 20 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.380 2.059 19108 17937 1 20 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.403 0.883 19108 17938 1 20 . 1 1 155 155 TYR H H 155 9.769 9.769 9.034 0.735 19108 17939 1 20 . 1 1 156 156 ASP N N 156 115.555 115.555 117.065 -1.510 19108 17940 1 20 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.878 0.230 19108 17941 1 20 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.902 0.358 19108 17942 1 20 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.219 0.399 19108 17943 1 20 . 1 1 156 156 ASP H H 156 8.230 8.230 8.406 -0.176 19108 17944 1 20 . 1 1 157 157 GLU N N 157 117.678 117.678 119.803 -2.125 19108 17945 1 20 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.108 -0.238 19108 17946 1 20 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.495 1.012 19108 17947 1 20 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.149 1.899 19108 17948 1 20 . 1 1 157 157 GLU H H 157 7.470 7.470 8.179 -0.709 19108 17949 1 20 . 1 1 158 158 PHE N N 158 119.869 119.869 120.300 -0.431 19108 17950 1 20 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.033 -0.204 19108 17951 1 20 . 1 1 158 158 PHE CA C 158 62.776 62.776 62.319 0.457 19108 17952 1 20 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.895 1.012 19108 17953 1 20 . 1 1 158 158 PHE H H 158 8.077 8.077 8.466 -0.389 19108 17954 1 20 . 1 1 159 159 LYS N N 159 118.859 118.859 120.232 -1.373 19108 17955 1 20 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.888 0.029 19108 17956 1 20 . 1 1 159 159 LYS CA C 159 59.231 59.231 60.042 -0.811 19108 17957 1 20 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.395 -0.432 19108 17958 1 20 . 1 1 159 159 LYS H H 159 8.273 8.273 7.646 0.627 19108 17959 1 20 . 1 1 160 160 HIS N N 160 115.889 115.889 119.482 -3.593 19108 17960 1 20 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.145 0.014 19108 17961 1 20 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.756 1.225 19108 17962 1 20 . 1 1 160 160 HIS CB C 160 27.930 27.930 28.945 -1.015 19108 17963 1 20 . 1 1 160 160 HIS H H 160 7.695 7.695 7.707 -0.012 19108 17964 1 20 . 1 1 161 161 CYS N N 161 118.188 118.188 117.735 0.453 19108 17965 1 20 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.219 0.570 19108 17966 1 20 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.885 -0.091 19108 17967 1 20 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.706 1.180 19108 17968 1 20 . 1 1 161 161 CYS H H 161 7.885 7.885 8.042 -0.157 19108 17969 1 20 . 1 1 162 162 TRP N N 162 122.741 122.741 122.373 0.368 19108 17970 1 20 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.400 0.364 19108 17971 1 20 . 1 1 162 162 TRP CA C 162 59.717 59.717 60.158 -0.441 19108 17972 1 20 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.477 0.116 19108 17973 1 20 . 1 1 162 162 TRP H H 162 8.040 8.040 8.359 -0.319 19108 17974 1 20 . 1 1 163 163 ASP N N 163 113.796 113.796 118.809 -5.013 19108 17975 1 20 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.908 0.218 19108 17976 1 20 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.231 0.698 19108 17977 1 20 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.208 0.327 19108 17978 1 20 . 1 1 163 163 ASP H H 163 8.319 8.319 8.198 0.121 19108 17979 1 20 . 1 1 164 164 THR N N 164 112.008 112.008 115.183 -3.175 19108 17980 1 20 . 1 1 164 164 THR HA H 164 3.803 3.803 4.031 -0.228 19108 17981 1 20 . 1 1 164 164 THR CA C 164 65.164 65.164 64.094 1.070 19108 17982 1 20 . 1 1 164 164 THR CB C 164 70.171 70.171 68.863 1.308 19108 17983 1 20 . 1 1 164 164 THR H H 164 7.494 7.494 7.356 0.138 19108 17984 1 20 . 1 1 165 165 PHE N N 165 115.079 115.079 118.175 -3.096 19108 17985 1 20 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.498 0.037 19108 17986 1 20 . 1 1 165 165 PHE CA C 165 57.969 57.969 56.630 1.339 19108 17987 1 20 . 1 1 165 165 PHE CB C 165 40.368 40.368 39.646 0.722 19108 17988 1 20 . 1 1 165 165 PHE H H 165 8.235 8.235 7.771 0.464 19108 17989 1 20 . 1 1 166 166 VAL N N 166 118.432 118.432 118.255 0.177 19108 17990 1 20 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.095 -0.070 19108 17991 1 20 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.983 1.018 19108 17992 1 20 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.639 -4.284 19108 17993 1 20 . 1 1 166 166 VAL H H 166 6.838 6.838 6.756 0.082 19108 17994 1 20 . 1 1 167 167 ASP N N 167 126.263 126.263 123.374 2.889 19108 17995 1 20 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.408 -0.560 19108 17996 1 20 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.389 -1.759 19108 17997 1 20 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.711 -1.631 19108 17998 1 20 . 1 1 167 167 ASP H H 167 8.498 8.498 8.066 0.432 19108 17999 1 20 . 1 1 168 168 HIS N N 168 119.890 119.890 117.655 2.235 19108 18000 1 20 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.187 0.159 19108 18001 1 20 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.690 -2.115 19108 18002 1 20 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.015 2.447 19108 18003 1 20 . 1 1 168 168 HIS H H 168 6.977 6.977 7.011 -0.034 19108 18004 1 20 . 1 1 169 169 GLN N N 169 119.254 119.254 116.329 2.925 19108 18005 1 20 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.945 -0.222 19108 18006 1 20 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.664 0.106 19108 18007 1 20 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.402 -0.881 19108 18008 1 20 . 1 1 169 169 GLN H H 169 9.126 9.126 8.919 0.207 19108 18009 1 20 . 1 1 170 170 GLY N N 170 111.911 111.911 100.779 11.132 19108 18010 1 20 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.175 0.649 19108 18011 1 20 . 1 1 170 170 GLY H H 170 11.556 11.556 5.152 6.404 19108 18012 1 20 . 1 1 171 171 CYS N N 171 123.390 123.390 121.525 1.865 19108 18013 1 20 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.943 -0.227 19108 18014 1 20 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.940 1.845 19108 18015 1 20 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.193 -1.289 19108 18016 1 20 . 1 1 171 171 CYS H H 171 8.044 8.044 6.826 1.218 19108 18017 1 20 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.816 -0.198 19108 18018 1 20 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.721 -0.863 19108 18019 1 20 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.254 0.275 19108 18020 1 20 . 1 1 173 173 PHE N N 173 121.101 121.101 124.001 -2.900 19108 18021 1 20 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.997 -1.341 19108 18022 1 20 . 1 1 173 173 PHE CA C 173 57.541 57.541 57.136 0.405 19108 18023 1 20 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.797 -0.051 19108 18024 1 20 . 1 1 173 173 PHE H H 173 8.842 8.842 7.410 1.432 19108 18025 1 20 . 1 1 174 174 GLN N N 174 129.493 129.493 124.893 4.600 19108 18026 1 20 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.230 0.087 19108 18027 1 20 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.388 -0.593 19108 18028 1 20 . 1 1 174 174 GLN CB C 174 29.097 29.097 27.963 1.134 19108 18029 1 20 . 1 1 174 174 GLN H H 174 7.250 7.250 7.686 -0.436 19108 18030 1 20 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.865 -0.951 19108 18031 1 20 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.438 -0.014 19108 18032 1 20 . 1 1 176 176 TRP N N 176 118.133 118.133 122.431 -4.298 19108 18033 1 20 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.859 -0.226 19108 18034 1 20 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.008 0.154 19108 18035 1 20 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.400 -0.511 19108 18036 1 20 . 1 1 176 176 TRP H H 176 5.591 5.591 7.147 -1.556 19108 18037 1 20 . 1 1 177 177 ASP N N 177 121.814 121.814 121.517 0.297 19108 18038 1 20 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.693 -0.296 19108 18039 1 20 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.442 1.730 19108 18040 1 20 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.691 0.984 19108 18041 1 20 . 1 1 177 177 ASP H H 177 8.848 8.848 8.558 0.290 19108 18042 1 20 . 1 1 178 178 GLY N N 178 111.875 111.875 110.433 1.442 19108 18043 1 20 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.498 0.168 19108 18044 1 20 . 1 1 178 178 GLY H H 178 8.987 8.987 8.070 0.917 19108 18045 1 20 . 1 1 179 179 LEU N N 179 121.470 121.470 123.675 -2.205 19108 18046 1 20 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.298 0.190 19108 18047 1 20 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.509 2.273 19108 18048 1 20 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.809 0.419 19108 18049 1 20 . 1 1 179 179 LEU H H 179 7.148 7.148 7.923 -0.775 19108 18050 1 20 . 1 1 180 180 ASP N N 180 119.476 119.476 118.788 0.688 19108 18051 1 20 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.357 0.135 19108 18052 1 20 . 1 1 180 180 ASP CA C 180 57.939 57.939 56.974 0.965 19108 18053 1 20 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.525 1.188 19108 18054 1 20 . 1 1 180 180 ASP H H 180 8.874 8.874 8.570 0.304 19108 18055 1 20 . 1 1 181 181 GLU N N 181 122.379 122.379 120.770 1.609 19108 18056 1 20 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.871 0.141 19108 18057 1 20 . 1 1 181 181 GLU CA C 181 59.969 59.969 60.128 -0.159 19108 18058 1 20 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.262 -0.336 19108 18059 1 20 . 1 1 181 181 GLU H H 181 8.712 8.712 8.245 0.467 19108 18060 1 20 . 1 1 182 182 HIS N N 182 118.572 118.572 117.972 0.600 19108 18061 1 20 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.280 0.474 19108 18062 1 20 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.248 -0.220 19108 18063 1 20 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.454 -0.606 19108 18064 1 20 . 1 1 182 182 HIS H H 182 8.854 8.854 8.444 0.410 19108 18065 1 20 . 1 1 183 183 SER N N 183 116.329 116.329 114.738 1.591 19108 18066 1 20 . 1 1 183 183 SER HA H 183 4.554 4.554 4.102 0.452 19108 18067 1 20 . 1 1 183 183 SER CA C 183 63.604 63.604 61.734 1.870 19108 18068 1 20 . 1 1 183 183 SER CB C 183 65.216 65.216 62.855 2.361 19108 18069 1 20 . 1 1 183 183 SER H H 183 8.665 8.665 8.182 0.483 19108 18070 1 20 . 1 1 184 184 GLN N N 184 122.215 122.215 122.262 -0.047 19108 18071 1 20 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.081 0.166 19108 18072 1 20 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.560 0.400 19108 18073 1 20 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.815 0.120 19108 18074 1 20 . 1 1 184 184 GLN H H 184 8.714 8.714 7.793 0.921 19108 18075 1 20 . 1 1 185 185 ALA N N 185 124.432 124.432 122.887 1.545 19108 18076 1 20 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.036 0.248 19108 18077 1 20 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.146 0.323 19108 18078 1 20 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.230 0.144 19108 18079 1 20 . 1 1 185 185 ALA H H 185 8.258 8.258 8.059 0.199 19108 18080 1 20 . 1 1 186 186 LEU N N 186 119.941 119.941 118.278 1.663 19108 18081 1 20 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.843 0.369 19108 18082 1 20 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.269 -0.053 19108 18083 1 20 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.667 1.097 19108 18084 1 20 . 1 1 186 186 LEU H H 186 8.953 8.953 8.505 0.448 19108 18085 1 20 . 1 1 187 187 SER N N 187 116.987 116.987 113.761 3.226 19108 18086 1 20 . 1 1 187 187 SER HA H 187 4.039 4.039 4.164 -0.125 19108 18087 1 20 . 1 1 187 187 SER CA C 187 63.302 63.302 61.736 1.566 19108 18088 1 20 . 1 1 187 187 SER CB C 187 62.760 62.760 62.821 -0.061 19108 18089 1 20 . 1 1 187 187 SER H H 187 8.935 8.935 8.342 0.593 19108 18090 1 20 . 1 1 188 188 GLY N N 188 110.215 110.215 109.786 0.429 19108 18091 1 20 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.503 0.651 19108 18092 1 20 . 1 1 188 188 GLY H H 188 8.228 8.228 8.161 0.067 19108 18093 1 20 . 1 1 189 189 ARG N N 189 122.994 122.994 122.652 0.342 19108 18094 1 20 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.969 0.268 19108 18095 1 20 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.607 -0.048 19108 18096 1 20 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.202 0.193 19108 18097 1 20 . 1 1 189 189 ARG H H 189 7.838 7.838 7.562 0.276 19108 18098 1 20 . 1 1 190 190 LEU N N 190 119.765 119.765 120.269 -0.504 19108 18099 1 20 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.102 0.136 19108 18100 1 20 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.420 -0.201 19108 18101 1 20 . 1 1 190 190 LEU CB C 190 41.242 41.242 42.028 -0.786 19108 18102 1 20 . 1 1 190 190 LEU H H 190 8.791 8.791 7.853 0.938 19108 18103 1 20 . 1 1 191 191 ARG N N 191 118.427 118.427 118.969 -0.542 19108 18104 1 20 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.906 0.137 19108 18105 1 20 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.532 0.250 19108 18106 1 20 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.816 0.375 19108 18107 1 20 . 1 1 191 191 ARG H H 191 8.305 8.305 7.957 0.348 19108 18108 1 20 . 1 1 192 192 ALA N N 192 119.414 119.414 121.936 -2.522 19108 18109 1 20 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.176 0.041 19108 18110 1 20 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.890 -0.174 19108 18111 1 20 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.133 0.032 19108 18112 1 20 . 1 1 192 192 ALA H H 192 7.414 7.414 7.626 -0.212 19108 18113 1 20 . 1 1 193 193 ILE N N 193 118.949 118.949 118.029 0.920 19108 18114 1 20 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.815 -0.045 19108 18115 1 20 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.943 0.895 19108 18116 1 20 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.695 1.751 19108 18117 1 20 . 1 1 193 193 ILE H H 193 7.896 7.896 7.494 0.402 19108 18118 1 20 . 1 1 194 194 LEU N N 194 116.435 116.435 117.869 -1.434 19108 18119 1 20 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.101 0.172 19108 18120 1 20 . 1 1 194 194 LEU CA C 194 55.713 55.713 57.010 -1.297 19108 18121 1 20 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.434 -1.964 19108 18122 1 20 . 1 1 194 194 LEU H H 194 8.296 8.296 7.612 0.684 19108 18123 1 20 . 1 1 195 195 GLN N N 195 118.580 118.580 116.409 2.171 19108 18124 1 20 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.473 -0.138 19108 18125 1 20 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.998 0.419 19108 18126 1 20 . 1 1 195 195 GLN CB C 195 28.598 28.598 30.885 -2.287 19108 18127 1 20 . 1 1 195 195 GLN H H 195 7.921 7.921 8.519 -0.598 19108 18128 1 20 . 1 1 196 196 ASN N N 196 118.941 118.941 113.384 5.557 19108 18129 1 20 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.873 -0.171 19108 18130 1 20 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.395 0.055 19108 18131 1 20 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.010 -0.185 19108 18132 1 20 . 1 1 196 196 ASN H H 196 8.078 8.078 8.400 -0.322 19108 18133 1 20 . 1 1 197 197 GLN N N 197 120.984 120.984 120.045 0.939 19108 18134 1 20 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.533 -0.177 19108 18135 1 20 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.858 0.309 19108 18136 1 20 . 1 1 197 197 GLN CB C 197 29.496 29.496 31.497 -2.001 19108 18137 1 20 . 1 1 197 197 GLN H H 197 8.526 8.526 8.237 0.289 19108 18138 1 20 . 1 1 198 198 GLY N N 198 109.565 109.565 106.951 2.614 19108 18139 1 20 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.555 -0.171 19108 18140 1 20 . 1 1 198 198 GLY H H 198 8.467 8.467 8.003 0.464 19108 18141 1 21 . 1 1 2 2 GLU HA H 2 4.374 4.374 3.962 0.412 19108 18142 1 21 . 1 1 2 2 GLU CA C 2 56.348 56.348 57.952 -1.604 19108 18143 1 21 . 1 1 2 2 GLU CB C 2 30.453 30.453 28.855 1.598 19108 18144 1 21 . 1 1 3 3 ALA N N 3 125.932 125.932 122.021 3.911 19108 18145 1 21 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.109 0.241 19108 18146 1 21 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.318 0.089 19108 18147 1 21 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.855 0.725 19108 18148 1 21 . 1 1 3 3 ALA H H 3 8.526 8.526 8.169 0.357 19108 18149 1 21 . 1 1 4 4 SER N N 4 116.729 116.729 118.831 -2.102 19108 18150 1 21 . 1 1 4 4 SER HA H 4 4.766 4.766 4.571 0.195 19108 18151 1 21 . 1 1 4 4 SER CA C 4 56.283 56.283 56.453 -0.170 19108 18152 1 21 . 1 1 4 4 SER CB C 4 63.278 63.278 63.846 -0.568 19108 18153 1 21 . 1 1 4 4 SER H H 4 8.397 8.397 7.923 0.474 19108 18154 1 21 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.430 0.016 19108 18155 1 21 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.286 0.020 19108 18156 1 21 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.090 0.007 19108 18157 1 21 . 1 1 6 6 ALA N N 6 124.236 124.236 118.891 5.345 19108 18158 1 21 . 1 1 6 6 ALA HA H 6 4.333 4.333 3.909 0.424 19108 18159 1 21 . 1 1 6 6 ALA CA C 6 52.563 52.563 53.458 -0.895 19108 18160 1 21 . 1 1 6 6 ALA CB C 6 19.334 19.334 17.720 1.614 19108 18161 1 21 . 1 1 6 6 ALA H H 6 8.411 8.411 8.376 0.035 19108 18162 1 21 . 1 1 7 7 SER N N 7 114.497 114.497 114.877 -0.380 19108 18163 1 21 . 1 1 7 7 SER HA H 7 4.475 4.475 4.145 0.330 19108 18164 1 21 . 1 1 7 7 SER CA C 7 58.258 58.258 58.390 -0.132 19108 18165 1 21 . 1 1 7 7 SER CB C 7 64.174 64.174 62.257 1.917 19108 18166 1 21 . 1 1 7 7 SER H H 7 8.195 8.195 8.089 0.106 19108 18167 1 21 . 1 1 8 8 GLY N N 8 110.497 110.497 113.132 -2.635 19108 18168 1 21 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.514 -0.668 19108 18169 1 21 . 1 1 8 8 GLY H H 8 8.226 8.226 8.659 -0.433 19108 18170 1 21 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.250 0.199 19108 18171 1 21 . 1 1 9 9 PRO CA C 9 63.434 63.434 64.066 -0.632 19108 18172 1 21 . 1 1 9 9 PRO CB C 9 32.193 32.193 30.973 1.220 19108 18173 1 21 . 1 1 10 10 ARG N N 10 120.534 120.534 122.752 -2.218 19108 18174 1 21 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.186 0.155 19108 18175 1 21 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.315 0.702 19108 18176 1 21 . 1 1 10 10 ARG CB C 10 30.809 30.809 32.856 -2.047 19108 18177 1 21 . 1 1 10 10 ARG H H 10 8.469 8.469 8.209 0.260 19108 18178 1 21 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.691 0.134 19108 18179 1 21 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.499 -0.038 19108 18180 1 21 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.623 0.568 19108 18181 1 21 . 1 1 12 12 LEU N N 12 122.284 122.284 122.787 -0.503 19108 18182 1 21 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.800 -0.190 19108 18183 1 21 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.583 1.447 19108 18184 1 21 . 1 1 12 12 LEU H H 12 8.250 8.250 7.813 0.437 19108 18185 1 21 . 1 1 13 13 MET N N 13 121.493 121.493 117.291 4.202 19108 18186 1 21 . 1 1 13 13 MET HA H 13 4.038 4.038 4.464 -0.426 19108 18187 1 21 . 1 1 13 13 MET CA C 13 54.449 54.449 54.895 -0.446 19108 18188 1 21 . 1 1 13 13 MET CB C 13 35.015 35.015 32.232 2.783 19108 18189 1 21 . 1 1 13 13 MET H H 13 8.955 8.955 8.493 0.462 19108 18190 1 21 . 1 1 14 14 ASP N N 14 127.113 127.113 122.920 4.193 19108 18191 1 21 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.698 -0.598 19108 18192 1 21 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.602 -2.146 19108 18193 1 21 . 1 1 14 14 ASP CB C 14 42.510 42.510 42.348 0.162 19108 18194 1 21 . 1 1 14 14 ASP H H 14 8.514 8.514 8.704 -0.190 19108 18195 1 21 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.213 -0.360 19108 18196 1 21 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.253 0.401 19108 18197 1 21 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.110 -0.459 19108 18198 1 21 . 1 1 16 16 HIS N N 16 115.776 115.776 116.974 -1.198 19108 18199 1 21 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.512 -0.234 19108 18200 1 21 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.974 -1.056 19108 18201 1 21 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.850 -0.642 19108 18202 1 21 . 1 1 16 16 HIS H H 16 8.591 8.591 8.293 0.298 19108 18203 1 21 . 1 1 17 17 ILE N N 17 122.675 122.675 118.932 3.743 19108 18204 1 21 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.598 -0.114 19108 18205 1 21 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.915 -1.689 19108 18206 1 21 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.994 -0.897 19108 18207 1 21 . 1 1 17 17 ILE H H 17 7.558 7.558 8.140 -0.582 19108 18208 1 21 . 1 1 18 18 PHE N N 18 120.513 120.513 121.082 -0.569 19108 18209 1 21 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.257 -0.254 19108 18210 1 21 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.369 0.435 19108 18211 1 21 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.525 0.115 19108 18212 1 21 . 1 1 18 18 PHE H H 18 7.831 7.831 8.205 -0.374 19108 18213 1 21 . 1 1 19 19 THR N N 19 114.555 114.555 115.163 -0.608 19108 18214 1 21 . 1 1 19 19 THR HA H 19 3.657 3.657 4.242 -0.585 19108 18215 1 21 . 1 1 19 19 THR CA C 19 66.485 66.485 66.738 -0.253 19108 18216 1 21 . 1 1 19 19 THR CB C 19 68.345 68.345 68.655 -0.310 19108 18217 1 21 . 1 1 19 19 THR H H 19 9.036 9.036 8.462 0.574 19108 18218 1 21 . 1 1 20 20 SER N N 20 113.030 113.030 115.302 -2.272 19108 18219 1 21 . 1 1 20 20 SER HA H 20 4.062 4.062 4.248 -0.186 19108 18220 1 21 . 1 1 20 20 SER CA C 20 60.610 60.610 61.053 -0.443 19108 18221 1 21 . 1 1 20 20 SER CB C 20 63.843 63.843 63.199 0.644 19108 18222 1 21 . 1 1 20 20 SER H H 20 7.809 7.809 8.242 -0.433 19108 18223 1 21 . 1 1 21 21 ASN N N 21 115.629 115.629 119.888 -4.259 19108 18224 1 21 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.377 0.034 19108 18225 1 21 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.131 1.858 19108 18226 1 21 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.445 3.135 19108 18227 1 21 . 1 1 21 21 ASN H H 21 7.362 7.362 7.616 -0.254 19108 18228 1 21 . 1 1 22 22 PHE N N 22 117.773 117.773 113.696 4.077 19108 18229 1 21 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.679 -0.406 19108 18230 1 21 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.303 -0.843 19108 18231 1 21 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.383 -1.553 19108 18232 1 21 . 1 1 22 22 PHE H H 22 8.296 8.296 7.558 0.738 19108 18233 1 21 . 1 1 23 23 ASN N N 23 115.026 115.026 120.568 -5.542 19108 18234 1 21 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.755 -0.226 19108 18235 1 21 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.957 -0.315 19108 18236 1 21 . 1 1 23 23 ASN CB C 23 36.623 36.623 39.432 -2.809 19108 18237 1 21 . 1 1 23 23 ASN H H 23 6.097 6.097 7.886 -1.789 19108 18238 1 21 . 1 1 24 24 ASN N N 24 122.900 122.900 116.187 6.713 19108 18239 1 21 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.678 -0.245 19108 18240 1 21 . 1 1 24 24 ASN CA C 24 53.273 53.273 52.599 0.673 19108 18241 1 21 . 1 1 24 24 ASN CB C 24 37.892 37.892 40.100 -2.208 19108 18242 1 21 . 1 1 24 24 ASN H H 24 7.083 7.083 8.084 -1.001 19108 18243 1 21 . 1 1 25 25 GLY N N 25 105.587 105.587 110.035 -4.448 19108 18244 1 21 . 1 1 25 25 GLY CA C 25 44.865 44.865 46.218 -1.353 19108 18245 1 21 . 1 1 25 25 GLY H H 25 8.520 8.520 8.591 -0.071 19108 18246 1 21 . 1 1 26 26 ILE N N 26 120.182 120.182 117.410 2.772 19108 18247 1 21 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.377 -0.203 19108 18248 1 21 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.023 2.420 19108 18249 1 21 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.629 0.886 19108 18250 1 21 . 1 1 26 26 ILE H H 26 6.944 6.944 7.759 -0.815 19108 18251 1 21 . 1 1 27 27 GLY N N 27 111.665 111.665 106.353 5.312 19108 18252 1 21 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.328 0.991 19108 18253 1 21 . 1 1 27 27 GLY H H 27 8.457 8.457 7.756 0.701 19108 18254 1 21 . 1 1 28 28 ARG N N 28 117.565 117.565 119.929 -2.364 19108 18255 1 21 . 1 1 28 28 ARG CA C 28 53.565 53.565 56.566 -3.001 19108 18256 1 21 . 1 1 28 28 ARG H H 28 6.741 6.741 8.432 -1.691 19108 18257 1 21 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.593 2.410 19108 18258 1 21 . 1 1 29 29 HIS CB C 29 29.044 29.044 30.703 -1.659 19108 18259 1 21 . 1 1 29 29 HIS H H 29 8.636 8.636 8.678 -0.042 19108 18260 1 21 . 1 1 30 30 LYS N N 30 119.344 119.344 117.385 1.959 19108 18261 1 21 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.555 -0.134 19108 18262 1 21 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.763 1.101 19108 18263 1 21 . 1 1 30 30 LYS CB C 30 35.191 35.191 31.636 3.555 19108 18264 1 21 . 1 1 30 30 LYS H H 30 7.870 7.870 7.960 -0.090 19108 18265 1 21 . 1 1 31 31 THR N N 31 118.233 118.233 115.397 2.836 19108 18266 1 21 . 1 1 31 31 THR HA H 31 4.125 4.125 3.937 0.188 19108 18267 1 21 . 1 1 31 31 THR CA C 31 63.175 63.175 63.800 -0.625 19108 18268 1 21 . 1 1 31 31 THR H H 31 8.436 8.436 7.564 0.872 19108 18269 1 21 . 1 1 32 32 TYR N N 32 124.026 124.026 122.038 1.988 19108 18270 1 21 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.873 0.063 19108 18271 1 21 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.630 -0.129 19108 18272 1 21 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.201 2.203 19108 18273 1 21 . 1 1 32 32 TYR H H 32 8.244 8.244 9.216 -0.972 19108 18274 1 21 . 1 1 33 33 LEU N N 33 125.428 125.428 123.455 1.973 19108 18275 1 21 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.329 -0.250 19108 18276 1 21 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.733 1.105 19108 18277 1 21 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.332 1.652 19108 18278 1 21 . 1 1 33 33 LEU H H 33 9.232 9.232 8.602 0.630 19108 18279 1 21 . 1 1 34 34 CYS N N 34 125.975 125.975 126.128 -0.153 19108 18280 1 21 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.013 -0.007 19108 18281 1 21 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.431 0.714 19108 18282 1 21 . 1 1 34 34 CYS CB C 34 28.302 28.302 28.113 0.190 19108 18283 1 21 . 1 1 34 34 CYS H H 34 9.640 9.640 8.955 0.685 19108 18284 1 21 . 1 1 35 35 TYR N N 35 121.183 121.183 121.374 -0.191 19108 18285 1 21 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.772 0.716 19108 18286 1 21 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.145 -0.363 19108 18287 1 21 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.978 2.112 19108 18288 1 21 . 1 1 35 35 TYR H H 35 9.094 9.094 8.968 0.126 19108 18289 1 21 . 1 1 36 36 GLU N N 36 115.538 115.538 123.341 -7.803 19108 18290 1 21 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.841 0.594 19108 18291 1 21 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.704 0.687 19108 18292 1 21 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.021 0.523 19108 18293 1 21 . 1 1 36 36 GLU H H 36 8.977 8.977 8.449 0.528 19108 18294 1 21 . 1 1 37 37 VAL N N 37 121.600 121.600 121.551 0.049 19108 18295 1 21 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.627 0.532 19108 18296 1 21 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.766 0.282 19108 18297 1 21 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.915 1.155 19108 18298 1 21 . 1 1 37 37 VAL H H 37 9.271 9.271 8.644 0.627 19108 18299 1 21 . 1 1 38 38 GLU N N 38 125.227 125.227 127.564 -2.337 19108 18300 1 21 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.058 0.160 19108 18301 1 21 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.255 -0.003 19108 18302 1 21 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.196 0.731 19108 18303 1 21 . 1 1 38 38 GLU H H 38 9.114 9.114 8.428 0.686 19108 18304 1 21 . 1 1 39 39 ARG N N 39 124.872 124.872 123.996 0.876 19108 18305 1 21 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.456 0.909 19108 18306 1 21 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.951 0.296 19108 18307 1 21 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.110 0.455 19108 18308 1 21 . 1 1 39 39 ARG H H 39 9.215 9.215 8.155 1.060 19108 18309 1 21 . 1 1 40 40 LEU N N 40 126.510 126.510 123.955 2.555 19108 18310 1 21 . 1 1 40 40 LEU HA H 40 4.753 4.753 5.071 -0.318 19108 18311 1 21 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.841 0.482 19108 18312 1 21 . 1 1 40 40 LEU CB C 40 40.843 40.843 44.007 -3.164 19108 18313 1 21 . 1 1 40 40 LEU H H 40 8.659 8.659 7.740 0.919 19108 18314 1 21 . 1 1 41 41 ASP N N 41 124.410 124.410 122.425 1.985 19108 18315 1 21 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.810 -0.017 19108 18316 1 21 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.703 -0.485 19108 18317 1 21 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.612 -0.879 19108 18318 1 21 . 1 1 41 41 ASP H H 41 8.575 8.575 8.610 -0.035 19108 18319 1 21 . 1 1 42 42 ASN N N 42 123.319 123.319 122.231 1.088 19108 18320 1 21 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.334 0.086 19108 18321 1 21 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.833 0.340 19108 18322 1 21 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.969 -0.122 19108 18323 1 21 . 1 1 42 42 ASN H H 42 9.048 9.048 8.946 0.102 19108 18324 1 21 . 1 1 43 43 GLY N N 43 106.044 106.044 103.480 2.564 19108 18325 1 21 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.093 0.301 19108 18326 1 21 . 1 1 43 43 GLY H H 43 8.548 8.548 8.273 0.275 19108 18327 1 21 . 1 1 44 44 THR N N 44 115.893 115.893 119.316 -3.423 19108 18328 1 21 . 1 1 44 44 THR HA H 44 4.524 4.524 4.296 0.228 19108 18329 1 21 . 1 1 44 44 THR CA C 44 61.285 61.285 62.700 -1.415 19108 18330 1 21 . 1 1 44 44 THR CB C 44 70.572 70.572 69.164 1.408 19108 18331 1 21 . 1 1 44 44 THR H H 44 7.833 7.833 7.888 -0.055 19108 18332 1 21 . 1 1 45 45 SER N N 45 119.589 119.589 124.084 -4.495 19108 18333 1 21 . 1 1 45 45 SER HA H 45 4.804 4.804 4.896 -0.092 19108 18334 1 21 . 1 1 45 45 SER CA C 45 58.080 58.080 57.409 0.671 19108 18335 1 21 . 1 1 45 45 SER CB C 45 64.265 64.265 63.360 0.905 19108 18336 1 21 . 1 1 45 45 SER H H 45 8.590 8.590 8.823 -0.233 19108 18337 1 21 . 1 1 46 46 VAL N N 46 125.827 125.827 129.103 -3.276 19108 18338 1 21 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.131 0.162 19108 18339 1 21 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.176 0.667 19108 18340 1 21 . 1 1 46 46 VAL CB C 46 33.517 33.517 31.559 1.958 19108 18341 1 21 . 1 1 46 46 VAL H H 46 9.034 9.034 9.040 -0.006 19108 18342 1 21 . 1 1 47 47 LYS N N 47 126.528 126.528 127.851 -1.323 19108 18343 1 21 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.234 0.051 19108 18344 1 21 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.662 1.003 19108 18345 1 21 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.043 -0.251 19108 18346 1 21 . 1 1 47 47 LYS H H 47 8.738 8.738 8.394 0.344 19108 18347 1 21 . 1 1 48 48 MET N N 48 122.645 122.645 124.974 -2.329 19108 18348 1 21 . 1 1 48 48 MET HA H 48 5.195 5.195 4.500 0.695 19108 18349 1 21 . 1 1 48 48 MET CA C 48 54.747 54.747 55.978 -1.231 19108 18350 1 21 . 1 1 48 48 MET CB C 48 32.379 32.379 33.682 -1.303 19108 18351 1 21 . 1 1 48 48 MET H H 48 8.334 8.334 8.169 0.165 19108 18352 1 21 . 1 1 49 49 ASP N N 49 123.713 123.713 121.142 2.571 19108 18353 1 21 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.471 -0.047 19108 18354 1 21 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.928 0.682 19108 18355 1 21 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.590 0.444 19108 18356 1 21 . 1 1 49 49 ASP H H 49 8.575 8.575 8.737 -0.162 19108 18357 1 21 . 1 1 50 50 GLN N N 50 117.540 117.540 119.474 -1.934 19108 18358 1 21 . 1 1 50 50 GLN H H 50 9.110 9.110 8.554 0.556 19108 18359 1 21 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.787 0.364 19108 18360 1 21 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.278 -1.444 19108 18361 1 21 . 1 1 51 51 HIS H H 51 8.031 8.031 8.411 -0.380 19108 18362 1 21 . 1 1 52 52 ARG N N 52 117.888 117.888 119.097 -1.209 19108 18363 1 21 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.399 0.838 19108 18364 1 21 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.376 0.679 19108 18365 1 21 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.901 0.153 19108 18366 1 21 . 1 1 52 52 ARG H H 52 7.685 7.685 7.645 0.040 19108 18367 1 21 . 1 1 53 53 GLY N N 53 108.573 108.573 105.745 2.828 19108 18368 1 21 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.584 0.124 19108 18369 1 21 . 1 1 53 53 GLY H H 53 7.529 7.529 7.382 0.147 19108 18370 1 21 . 1 1 54 54 PHE N N 54 113.146 113.146 115.993 -2.847 19108 18371 1 21 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.741 0.254 19108 18372 1 21 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.508 0.348 19108 18373 1 21 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.974 2.389 19108 18374 1 21 . 1 1 54 54 PHE H H 54 8.287 8.287 8.004 0.283 19108 18375 1 21 . 1 1 55 55 LEU N N 55 119.389 119.389 120.346 -0.957 19108 18376 1 21 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.529 0.166 19108 18377 1 21 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.324 0.388 19108 18378 1 21 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.305 0.323 19108 18379 1 21 . 1 1 55 55 LEU H H 55 9.452 9.452 8.812 0.640 19108 18380 1 21 . 1 1 56 56 HIS N N 56 114.176 114.176 115.005 -0.829 19108 18381 1 21 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.181 0.258 19108 18382 1 21 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.736 0.729 19108 18383 1 21 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.355 0.112 19108 18384 1 21 . 1 1 56 56 HIS H H 56 7.709 7.709 7.489 0.220 19108 18385 1 21 . 1 1 57 57 ASN N N 57 116.522 116.522 119.629 -3.107 19108 18386 1 21 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.685 -0.270 19108 18387 1 21 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.611 1.573 19108 18388 1 21 . 1 1 57 57 ASN CB C 57 38.662 38.662 40.650 -1.988 19108 18389 1 21 . 1 1 57 57 ASN H H 57 8.684 8.684 7.845 0.839 19108 18390 1 21 . 1 1 58 58 GLN N N 58 122.850 122.850 118.588 4.262 19108 18391 1 21 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.915 0.474 19108 18392 1 21 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.852 -1.999 19108 18393 1 21 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.194 2.188 19108 18394 1 21 . 1 1 58 58 GLN H H 58 9.099 9.099 8.459 0.640 19108 18395 1 21 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.326 -0.026 19108 18396 1 21 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.656 0.848 19108 18397 1 21 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.516 -0.095 19108 18398 1 21 . 1 1 60 60 LYS N N 60 119.998 119.998 113.873 6.125 19108 18399 1 21 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.823 -0.047 19108 18400 1 21 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.838 -1.537 19108 18401 1 21 . 1 1 60 60 LYS CB C 60 32.816 32.816 30.441 2.375 19108 18402 1 21 . 1 1 60 60 LYS H H 60 8.344 8.344 8.330 0.014 19108 18403 1 21 . 1 1 61 61 ASN N N 61 119.688 119.688 117.383 2.305 19108 18404 1 21 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.791 -0.336 19108 18405 1 21 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.535 0.369 19108 18406 1 21 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.382 1.155 19108 18407 1 21 . 1 1 61 61 ASN H H 61 8.643 8.643 8.389 0.254 19108 18408 1 21 . 1 1 62 62 LEU N N 62 124.761 124.761 120.023 4.738 19108 18409 1 21 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.196 -0.262 19108 18410 1 21 . 1 1 62 62 LEU CA C 62 57.245 57.245 58.515 -1.270 19108 18411 1 21 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.773 -0.829 19108 18412 1 21 . 1 1 62 62 LEU H H 62 8.873 8.873 7.560 1.313 19108 18413 1 21 . 1 1 63 63 LEU N N 63 120.312 120.312 116.759 3.553 19108 18414 1 21 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.216 -0.017 19108 18415 1 21 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.467 -0.390 19108 18416 1 21 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.530 -0.273 19108 18417 1 21 . 1 1 63 63 LEU H H 63 8.145 8.145 8.226 -0.081 19108 18418 1 21 . 1 1 64 64 CYS N N 64 113.898 113.898 115.966 -2.068 19108 18419 1 21 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.457 -0.286 19108 18420 1 21 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.692 -0.908 19108 18421 1 21 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.908 0.810 19108 18422 1 21 . 1 1 64 64 CYS H H 64 7.376 7.376 7.375 0.001 19108 18423 1 21 . 1 1 65 65 GLY N N 65 108.894 108.894 108.124 0.770 19108 18424 1 21 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.295 0.688 19108 18425 1 21 . 1 1 65 65 GLY H H 65 7.789 7.789 8.012 -0.223 19108 18426 1 21 . 1 1 66 66 PHE N N 66 118.711 118.711 122.339 -3.628 19108 18427 1 21 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.771 -0.854 19108 18428 1 21 . 1 1 66 66 PHE CA C 66 55.940 55.940 55.841 0.099 19108 18429 1 21 . 1 1 66 66 PHE CB C 66 40.268 40.268 37.671 2.597 19108 18430 1 21 . 1 1 66 66 PHE H H 66 7.699 7.699 7.896 -0.197 19108 18431 1 21 . 1 1 67 67 TYR N N 67 124.623 124.623 122.962 1.661 19108 18432 1 21 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.372 -0.072 19108 18433 1 21 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.160 -0.397 19108 18434 1 21 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.415 -1.262 19108 18435 1 21 . 1 1 67 67 TYR H H 67 8.568 8.568 7.536 1.032 19108 18436 1 21 . 1 1 69 69 ARG N N 69 121.427 121.427 124.881 -3.454 19108 18437 1 21 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.174 2.883 19108 18438 1 21 . 1 1 69 69 ARG CB C 69 32.296 32.296 31.921 0.375 19108 18439 1 21 . 1 1 69 69 ARG H H 69 8.313 8.313 7.738 0.575 19108 18440 1 21 . 1 1 70 70 HIS N N 70 128.351 128.351 125.616 2.735 19108 18441 1 21 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.290 0.492 19108 18442 1 21 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.120 0.596 19108 18443 1 21 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.669 0.107 19108 18444 1 21 . 1 1 70 70 HIS H H 70 9.182 9.182 8.861 0.321 19108 18445 1 21 . 1 1 71 71 ALA N N 71 125.649 125.649 129.141 -3.492 19108 18446 1 21 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.056 -0.699 19108 18447 1 21 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.126 0.656 19108 18448 1 21 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.992 -0.983 19108 18449 1 21 . 1 1 71 71 ALA H H 71 8.968 8.968 8.933 0.035 19108 18450 1 21 . 1 1 72 72 GLU N N 72 119.941 119.941 119.228 0.713 19108 18451 1 21 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.847 -0.870 19108 18452 1 21 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.470 1.486 19108 18453 1 21 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.963 -0.957 19108 18454 1 21 . 1 1 72 72 GLU H H 72 12.692 12.692 8.404 4.288 19108 18455 1 21 . 1 1 73 73 LEU N N 73 114.882 114.882 119.032 -4.150 19108 18456 1 21 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.027 -0.442 19108 18457 1 21 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.323 -1.662 19108 18458 1 21 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.522 -2.277 19108 18459 1 21 . 1 1 73 73 LEU H H 73 6.637 6.637 8.271 -1.634 19108 18460 1 21 . 1 1 74 74 ARG N N 74 117.799 117.799 117.966 -0.167 19108 18461 1 21 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.960 0.082 19108 18462 1 21 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.103 -0.928 19108 18463 1 21 . 1 1 74 74 ARG H H 74 7.556 7.556 7.548 0.008 19108 18464 1 21 . 1 1 75 75 PHE N N 75 119.783 119.783 120.018 -0.235 19108 18465 1 21 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.209 -0.648 19108 18466 1 21 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.172 1.502 19108 18467 1 21 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.050 -1.012 19108 18468 1 21 . 1 1 75 75 PHE H H 75 8.233 8.233 7.758 0.475 19108 18469 1 21 . 1 1 76 76 LEU N N 76 119.526 119.526 119.932 -0.406 19108 18470 1 21 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.510 0.048 19108 18471 1 21 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.217 0.822 19108 18472 1 21 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.999 -2.983 19108 18473 1 21 . 1 1 76 76 LEU H H 76 7.629 7.629 8.539 -0.910 19108 18474 1 21 . 1 1 77 77 ASP N N 77 118.215 118.215 119.539 -1.324 19108 18475 1 21 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.466 -0.308 19108 18476 1 21 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.381 0.019 19108 18477 1 21 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.373 -1.005 19108 18478 1 21 . 1 1 77 77 ASP H H 77 8.190 8.190 7.874 0.316 19108 18479 1 21 . 1 1 78 78 LEU N N 78 117.496 117.496 114.835 2.661 19108 18480 1 21 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.558 -0.268 19108 18481 1 21 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.587 -0.602 19108 18482 1 21 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.078 0.323 19108 18483 1 21 . 1 1 78 78 LEU H H 78 7.252 7.252 7.183 0.070 19108 18484 1 21 . 1 1 79 79 VAL N N 79 120.915 120.915 123.939 -3.024 19108 18485 1 21 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.613 -0.390 19108 18486 1 21 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.614 0.914 19108 18487 1 21 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.843 0.277 19108 18488 1 21 . 1 1 79 79 VAL H H 79 7.179 7.179 7.263 -0.084 19108 18489 1 21 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.345 -0.370 19108 18490 1 21 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.683 1.105 19108 18491 1 21 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.018 -1.210 19108 18492 1 21 . 1 1 81 81 SER N N 81 112.727 112.727 113.644 -0.917 19108 18493 1 21 . 1 1 81 81 SER HA H 81 4.314 4.314 4.241 0.073 19108 18494 1 21 . 1 1 81 81 SER CA C 81 60.618 60.618 60.520 0.098 19108 18495 1 21 . 1 1 81 81 SER CB C 81 63.450 63.450 62.988 0.462 19108 18496 1 21 . 1 1 81 81 SER H H 81 7.828 7.828 7.530 0.298 19108 18497 1 21 . 1 1 82 82 LEU N N 82 120.918 120.918 118.183 2.735 19108 18498 1 21 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.512 -0.638 19108 18499 1 21 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.367 0.125 19108 18500 1 21 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.882 -2.671 19108 18501 1 21 . 1 1 82 82 LEU H H 82 7.912 7.912 7.511 0.401 19108 18502 1 21 . 1 1 83 83 GLN N N 83 111.397 111.397 116.321 -4.924 19108 18503 1 21 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.963 -0.155 19108 18504 1 21 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.952 0.214 19108 18505 1 21 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.395 0.273 19108 18506 1 21 . 1 1 83 83 GLN H H 83 7.458 7.458 7.637 -0.179 19108 18507 1 21 . 1 1 84 84 LEU N N 84 118.520 118.520 120.632 -2.112 19108 18508 1 21 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.058 -0.339 19108 18509 1 21 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.863 -1.121 19108 18510 1 21 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.787 -2.542 19108 18511 1 21 . 1 1 84 84 LEU H H 84 8.736 8.736 7.992 0.744 19108 18512 1 21 . 1 1 85 85 ASP N N 85 126.187 126.187 124.744 1.443 19108 18513 1 21 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.959 -0.076 19108 18514 1 21 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.279 0.067 19108 18515 1 21 . 1 1 85 85 ASP CB C 85 42.948 42.948 40.619 2.329 19108 18516 1 21 . 1 1 85 85 ASP H H 85 8.415 8.415 8.593 -0.178 19108 18517 1 21 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.489 -0.561 19108 18518 1 21 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.558 0.080 19108 18519 1 21 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.853 -0.567 19108 18520 1 21 . 1 1 87 87 ALA N N 87 121.030 121.030 122.251 -1.221 19108 18521 1 21 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.113 0.305 19108 18522 1 21 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.220 -2.048 19108 18523 1 21 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.877 0.471 19108 18524 1 21 . 1 1 87 87 ALA H H 87 8.504 8.504 8.396 0.108 19108 18525 1 21 . 1 1 88 88 GLN N N 88 119.601 119.601 114.405 5.196 19108 18526 1 21 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.583 -0.061 19108 18527 1 21 . 1 1 88 88 GLN CA C 88 53.434 53.434 53.937 -0.503 19108 18528 1 21 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.033 -0.984 19108 18529 1 21 . 1 1 88 88 GLN H H 88 8.125 8.125 8.012 0.113 19108 18530 1 21 . 1 1 89 89 ILE N N 89 118.195 118.195 119.100 -0.905 19108 18531 1 21 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.408 0.561 19108 18532 1 21 . 1 1 89 89 ILE CA C 89 59.541 59.541 61.030 -1.489 19108 18533 1 21 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.904 0.348 19108 18534 1 21 . 1 1 89 89 ILE H H 89 8.099 8.099 8.334 -0.235 19108 18535 1 21 . 1 1 90 90 TYR N N 90 122.421 122.421 121.984 0.437 19108 18536 1 21 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.088 0.273 19108 18537 1 21 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.790 -0.750 19108 18538 1 21 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.089 -0.263 19108 18539 1 21 . 1 1 90 90 TYR H H 90 8.892 8.892 8.081 0.811 19108 18540 1 21 . 1 1 91 91 ARG N N 91 121.043 121.043 121.165 -0.122 19108 18541 1 21 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.952 0.291 19108 18542 1 21 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.811 -1.276 19108 18543 1 21 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.644 -0.512 19108 18544 1 21 . 1 1 91 91 ARG H H 91 9.327 9.327 8.776 0.551 19108 18545 1 21 . 1 1 92 92 VAL N N 92 132.287 132.287 129.124 3.163 19108 18546 1 21 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.982 -0.058 19108 18547 1 21 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.420 -0.515 19108 18548 1 21 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.414 -0.562 19108 18549 1 21 . 1 1 92 92 VAL H H 92 9.668 9.668 9.007 0.661 19108 18550 1 21 . 1 1 93 93 THR N N 93 124.468 124.468 124.790 -0.322 19108 18551 1 21 . 1 1 93 93 THR HA H 93 5.264 5.264 4.705 0.559 19108 18552 1 21 . 1 1 93 93 THR CA C 93 61.616 61.616 62.139 -0.523 19108 18553 1 21 . 1 1 93 93 THR CB C 93 70.082 70.082 69.872 0.210 19108 18554 1 21 . 1 1 93 93 THR H H 93 9.381 9.381 8.463 0.918 19108 18555 1 21 . 1 1 94 94 TRP N N 94 124.491 124.491 127.858 -3.367 19108 18556 1 21 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.163 0.503 19108 18557 1 21 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.884 -2.679 19108 18558 1 21 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.025 2.643 19108 18559 1 21 . 1 1 94 94 TRP H H 94 9.071 9.071 9.210 -0.139 19108 18560 1 21 . 1 1 95 95 PHE N N 95 122.179 122.179 123.070 -0.891 19108 18561 1 21 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.035 0.635 19108 18562 1 21 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.298 -0.524 19108 18563 1 21 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.771 -1.322 19108 18564 1 21 . 1 1 95 95 PHE H H 95 9.578 9.578 8.862 0.716 19108 18565 1 21 . 1 1 96 96 ILE N N 96 125.072 125.072 122.201 2.871 19108 18566 1 21 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.215 0.758 19108 18567 1 21 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.872 -1.445 19108 18568 1 21 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.443 4.630 19108 18569 1 21 . 1 1 96 96 ILE H H 96 9.816 9.816 9.213 0.603 19108 18570 1 21 . 1 1 97 97 SER N N 97 124.020 124.020 119.006 5.014 19108 18571 1 21 . 1 1 97 97 SER HA H 97 3.623 3.623 4.692 -1.069 19108 18572 1 21 . 1 1 97 97 SER CA C 97 61.750 61.750 59.931 1.819 19108 18573 1 21 . 1 1 97 97 SER CB C 97 63.711 63.711 63.990 -0.279 19108 18574 1 21 . 1 1 97 97 SER H H 97 9.156 9.156 8.576 0.580 19108 18575 1 21 . 1 1 98 98 TRP N N 98 114.829 114.829 121.204 -6.375 19108 18576 1 21 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.101 0.238 19108 18577 1 21 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.005 -2.334 19108 18578 1 21 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.791 2.960 19108 18579 1 21 . 1 1 98 98 TRP H H 98 6.619 6.619 7.555 -0.936 19108 18580 1 21 . 1 1 99 99 SER N N 99 115.444 115.444 119.181 -3.737 19108 18581 1 21 . 1 1 99 99 SER CA C 99 58.045 58.045 58.500 -0.455 19108 18582 1 21 . 1 1 99 99 SER CB C 99 61.927 61.927 63.577 -1.650 19108 18583 1 21 . 1 1 99 99 SER H H 99 8.590 8.590 8.337 0.253 19108 18584 1 21 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.019 -1.094 19108 18585 1 21 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.832 1.964 19108 18586 1 21 . 1 1 101 101 CYS N N 101 121.768 121.768 117.280 4.488 19108 18587 1 21 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.572 2.087 19108 18588 1 21 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.675 1.514 19108 18589 1 21 . 1 1 101 101 CYS H H 101 8.686 8.686 8.092 0.594 19108 18590 1 21 . 1 1 102 102 PHE N N 102 115.031 115.031 122.432 -7.401 19108 18591 1 21 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.971 0.989 19108 18592 1 21 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.329 0.828 19108 18593 1 21 . 1 1 102 102 PHE H H 102 9.318 9.318 8.732 0.586 19108 18594 1 21 . 1 1 103 103 SER N N 103 119.552 119.552 123.774 -4.222 19108 18595 1 21 . 1 1 103 103 SER HA H 103 3.713 3.713 4.140 -0.427 19108 18596 1 21 . 1 1 103 103 SER CA C 103 63.368 63.368 61.451 1.917 19108 18597 1 21 . 1 1 103 103 SER CB C 103 60.539 60.539 63.010 -2.471 19108 18598 1 21 . 1 1 103 103 SER H H 103 10.858 10.858 8.727 2.131 19108 18599 1 21 . 1 1 104 104 TRP N N 104 117.909 117.909 123.023 -5.114 19108 18600 1 21 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.717 -0.941 19108 18601 1 21 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.331 -0.117 19108 18602 1 21 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.202 -1.316 19108 18603 1 21 . 1 1 104 104 TRP H H 104 7.880 7.880 8.752 -0.872 19108 18604 1 21 . 1 1 105 105 GLY N N 105 106.359 106.359 108.078 -1.719 19108 18605 1 21 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.130 -1.050 19108 18606 1 21 . 1 1 105 105 GLY H H 105 7.468 7.468 8.839 -1.371 19108 18607 1 21 . 1 1 106 106 CYS N N 106 120.359 120.359 120.598 -0.239 19108 18608 1 21 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.552 -0.693 19108 18609 1 21 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.151 4.951 19108 18610 1 21 . 1 1 106 106 CYS CB C 106 28.718 28.718 25.793 2.925 19108 18611 1 21 . 1 1 106 106 CYS H H 106 7.366 7.366 8.063 -0.697 19108 18612 1 21 . 1 1 107 107 ALA N N 107 119.725 119.725 122.519 -2.794 19108 18613 1 21 . 1 1 107 107 ALA HA H 107 3.865 3.865 3.988 -0.123 19108 18614 1 21 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.377 1.556 19108 18615 1 21 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.147 0.296 19108 18616 1 21 . 1 1 107 107 ALA H H 107 8.719 8.719 8.395 0.324 19108 18617 1 21 . 1 1 108 108 GLY N N 108 103.829 103.829 106.914 -3.085 19108 18618 1 21 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.557 -0.663 19108 18619 1 21 . 1 1 108 108 GLY H H 108 8.555 8.555 8.535 0.020 19108 18620 1 21 . 1 1 109 109 GLU N N 109 123.162 123.162 121.553 1.609 19108 18621 1 21 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.080 0.186 19108 18622 1 21 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.526 -0.234 19108 18623 1 21 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.377 1.005 19108 18624 1 21 . 1 1 109 109 GLU H H 109 8.023 8.023 7.885 0.138 19108 18625 1 21 . 1 1 110 110 VAL N N 110 121.866 121.866 120.003 1.863 19108 18626 1 21 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.690 0.009 19108 18627 1 21 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.798 1.245 19108 18628 1 21 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.587 -0.581 19108 18629 1 21 . 1 1 110 110 VAL H H 110 8.942 8.942 7.882 1.060 19108 18630 1 21 . 1 1 111 111 ARG N N 111 120.587 120.587 120.446 0.141 19108 18631 1 21 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.824 -0.038 19108 18632 1 21 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.926 0.155 19108 18633 1 21 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.064 -0.889 19108 18634 1 21 . 1 1 111 111 ARG H H 111 8.653 8.653 8.452 0.201 19108 18635 1 21 . 1 1 112 112 ALA N N 112 120.687 120.687 121.168 -0.481 19108 18636 1 21 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.034 0.100 19108 18637 1 21 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.041 0.377 19108 18638 1 21 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.074 -0.083 19108 18639 1 21 . 1 1 112 112 ALA H H 112 7.875 7.875 8.014 -0.139 19108 18640 1 21 . 1 1 113 113 PHE N N 113 118.950 118.950 118.922 0.028 19108 18641 1 21 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.125 0.212 19108 18642 1 21 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.756 -0.380 19108 18643 1 21 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.225 0.162 19108 18644 1 21 . 1 1 113 113 PHE H H 113 8.139 8.139 7.731 0.408 19108 18645 1 21 . 1 1 114 114 LEU N N 114 120.595 120.595 120.838 -0.243 19108 18646 1 21 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.934 -0.134 19108 18647 1 21 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.847 -0.714 19108 18648 1 21 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.031 -1.121 19108 18649 1 21 . 1 1 114 114 LEU H H 114 8.639 8.639 8.155 0.484 19108 18650 1 21 . 1 1 115 115 GLN N N 115 117.666 117.666 116.862 0.804 19108 18651 1 21 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.915 0.108 19108 18652 1 21 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.560 -0.174 19108 18653 1 21 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.538 0.000 19108 18654 1 21 . 1 1 115 115 GLN H H 115 8.167 8.167 8.318 -0.151 19108 18655 1 21 . 1 1 116 116 GLU N N 116 115.380 115.380 117.471 -2.091 19108 18656 1 21 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.271 0.051 19108 18657 1 21 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.776 0.286 19108 18658 1 21 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.260 -0.545 19108 18659 1 21 . 1 1 116 116 GLU H H 116 7.448 7.448 7.736 -0.288 19108 18660 1 21 . 1 1 117 117 ASN N N 117 119.831 119.831 117.067 2.764 19108 18661 1 21 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.813 0.252 19108 18662 1 21 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.200 -0.014 19108 18663 1 21 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.512 -0.266 19108 18664 1 21 . 1 1 117 117 ASN H H 117 7.632 7.632 8.056 -0.424 19108 18665 1 21 . 1 1 118 118 THR N N 118 111.041 111.041 115.570 -4.529 19108 18666 1 21 . 1 1 118 118 THR HA H 118 4.317 4.317 4.114 0.203 19108 18667 1 21 . 1 1 118 118 THR CA C 118 64.081 64.081 63.153 0.928 19108 18668 1 21 . 1 1 118 118 THR CB C 118 68.767 68.767 68.986 -0.219 19108 18669 1 21 . 1 1 118 118 THR H H 118 8.054 8.054 7.722 0.332 19108 18670 1 21 . 1 1 119 119 HIS N N 119 120.403 120.403 114.840 5.563 19108 18671 1 21 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.629 -0.340 19108 18672 1 21 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.276 1.325 19108 18673 1 21 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.276 1.044 19108 18674 1 21 . 1 1 119 119 HIS H H 119 9.248 9.248 8.216 1.032 19108 18675 1 21 . 1 1 120 120 VAL N N 120 120.001 120.001 117.893 2.108 19108 18676 1 21 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.648 -0.122 19108 18677 1 21 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.955 2.936 19108 18678 1 21 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.517 -1.522 19108 18679 1 21 . 1 1 120 120 VAL H H 120 7.379 7.379 7.336 0.043 19108 18680 1 21 . 1 1 121 121 ARG N N 121 125.312 125.312 126.007 -0.695 19108 18681 1 21 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.427 0.383 19108 18682 1 21 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.164 -2.098 19108 18683 1 21 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.657 -1.077 19108 18684 1 21 . 1 1 121 121 ARG H H 121 8.775 8.775 8.381 0.394 19108 18685 1 21 . 1 1 122 122 LEU N N 122 125.483 125.483 126.215 -0.732 19108 18686 1 21 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.739 0.421 19108 18687 1 21 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.339 -0.038 19108 18688 1 21 . 1 1 122 122 LEU CB C 122 46.672 46.672 43.686 2.986 19108 18689 1 21 . 1 1 122 122 LEU H H 122 9.345 9.345 8.776 0.569 19108 18690 1 21 . 1 1 123 123 ARG N N 123 127.748 127.748 126.634 1.114 19108 18691 1 21 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.379 0.357 19108 18692 1 21 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.522 -0.355 19108 18693 1 21 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.058 0.754 19108 18694 1 21 . 1 1 123 123 ARG H H 123 9.053 9.053 8.366 0.687 19108 18695 1 21 . 1 1 124 124 ILE N N 124 123.665 123.665 123.777 -0.112 19108 18696 1 21 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.139 0.303 19108 18697 1 21 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.454 0.305 19108 18698 1 21 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.655 2.238 19108 18699 1 21 . 1 1 124 124 ILE H H 124 9.019 9.019 8.311 0.708 19108 18700 1 21 . 1 1 125 125 PHE N N 125 126.320 126.320 126.234 0.086 19108 18701 1 21 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.444 -0.279 19108 18702 1 21 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.389 0.525 19108 18703 1 21 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.978 -0.159 19108 18704 1 21 . 1 1 125 125 PHE H H 125 9.359 9.359 8.126 1.233 19108 18705 1 21 . 1 1 126 126 ALA N N 126 124.526 124.526 127.832 -3.306 19108 18706 1 21 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.036 0.780 19108 18707 1 21 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.443 -1.573 19108 18708 1 21 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.289 1.045 19108 18709 1 21 . 1 1 126 126 ALA H H 126 9.091 9.091 8.816 0.275 19108 18710 1 21 . 1 1 127 127 ALA N N 127 126.272 126.272 128.441 -2.169 19108 18711 1 21 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.389 0.362 19108 18712 1 21 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.842 1.626 19108 18713 1 21 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.700 -0.094 19108 18714 1 21 . 1 1 127 127 ALA H H 127 9.049 9.049 9.080 -0.031 19108 18715 1 21 . 1 1 128 128 ARG N N 128 108.570 108.570 117.850 -9.280 19108 18716 1 21 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.635 -0.221 19108 18717 1 21 . 1 1 128 128 ARG CB C 128 37.206 37.206 32.899 4.307 19108 18718 1 21 . 1 1 128 128 ARG H H 128 6.741 6.741 7.975 -1.234 19108 18719 1 21 . 1 1 129 129 ILE N N 129 121.285 121.285 125.165 -3.880 19108 18720 1 21 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.151 0.140 19108 18721 1 21 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.791 0.076 19108 18722 1 21 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.712 1.117 19108 18723 1 21 . 1 1 129 129 ILE H H 129 8.340 8.340 8.360 -0.020 19108 18724 1 21 . 1 1 130 130 TYR N N 130 130.143 130.143 127.823 2.320 19108 18725 1 21 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.506 0.829 19108 18726 1 21 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.444 -0.518 19108 18727 1 21 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.341 -3.178 19108 18728 1 21 . 1 1 130 130 TYR H H 130 8.870 8.870 8.368 0.502 19108 18729 1 21 . 1 1 131 131 ASP N N 131 123.662 123.662 122.906 0.756 19108 18730 1 21 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.768 -1.101 19108 18731 1 21 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.735 0.978 19108 18732 1 21 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.715 -4.814 19108 18733 1 21 . 1 1 131 131 ASP H H 131 8.123 8.123 8.102 0.021 19108 18734 1 21 . 1 1 132 132 TYR N N 132 116.852 116.852 119.742 -2.890 19108 18735 1 21 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.734 -0.819 19108 18736 1 21 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.995 0.473 19108 18737 1 21 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.599 -0.562 19108 18738 1 21 . 1 1 132 132 TYR H H 132 6.448 6.448 8.652 -2.204 19108 18739 1 21 . 1 1 133 133 ASP N N 133 116.930 116.930 118.572 -1.642 19108 18740 1 21 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.219 -2.054 19108 18741 1 21 . 1 1 133 133 ASP CB C 133 42.782 42.782 42.926 -0.144 19108 18742 1 21 . 1 1 133 133 ASP H H 133 7.005 7.005 7.758 -0.753 19108 18743 1 21 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.617 -0.514 19108 18744 1 21 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.323 0.378 19108 18745 1 21 . 1 1 134 134 PRO CB C 134 32.090 32.090 30.916 1.175 19108 18746 1 21 . 1 1 135 135 LEU N N 135 120.252 120.252 122.188 -1.936 19108 18747 1 21 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.353 0.345 19108 18748 1 21 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.530 -1.149 19108 18749 1 21 . 1 1 135 135 LEU CB C 135 39.744 39.744 43.287 -3.543 19108 18750 1 21 . 1 1 135 135 LEU H H 135 8.456 8.456 8.438 0.018 19108 18751 1 21 . 1 1 136 136 TYR N N 136 117.432 117.432 119.395 -1.963 19108 18752 1 21 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.082 -0.021 19108 18753 1 21 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.482 1.576 19108 18754 1 21 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.602 0.978 19108 18755 1 21 . 1 1 136 136 TYR H H 136 8.028 8.028 8.679 -0.651 19108 18756 1 21 . 1 1 137 137 LYS N N 137 122.000 122.000 119.786 2.214 19108 18757 1 21 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.787 0.512 19108 18758 1 21 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.565 -0.767 19108 18759 1 21 . 1 1 137 137 LYS H H 137 7.503 7.503 8.181 -0.677 19108 18760 1 21 . 1 1 138 138 GLU N N 138 121.833 121.833 118.942 2.891 19108 18761 1 21 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.331 0.510 19108 18762 1 21 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.325 -1.856 19108 18763 1 21 . 1 1 138 138 GLU H H 138 8.752 8.752 7.803 0.949 19108 18764 1 21 . 1 1 139 139 ALA N N 139 119.592 119.592 122.713 -3.121 19108 18765 1 21 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.063 -0.217 19108 18766 1 21 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.183 -0.043 19108 18767 1 21 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.318 1.937 19108 18768 1 21 . 1 1 139 139 ALA H H 139 7.682 7.682 7.531 0.151 19108 18769 1 21 . 1 1 140 140 LEU N N 140 116.268 116.268 119.125 -2.857 19108 18770 1 21 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.361 -0.168 19108 18771 1 21 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.386 -0.291 19108 18772 1 21 . 1 1 140 140 LEU H H 140 7.175 7.175 8.326 -1.151 19108 18773 1 21 . 1 1 141 141 GLN N N 141 117.550 117.550 117.910 -0.360 19108 18774 1 21 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.965 -0.246 19108 18775 1 21 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.236 0.814 19108 18776 1 21 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.371 -0.777 19108 18777 1 21 . 1 1 141 141 GLN H H 141 8.322 8.322 7.616 0.706 19108 18778 1 21 . 1 1 142 142 MET N N 142 118.520 118.520 118.691 -0.171 19108 18779 1 21 . 1 1 142 142 MET HA H 142 4.135 4.135 3.955 0.180 19108 18780 1 21 . 1 1 142 142 MET CA C 142 59.051 59.051 58.679 0.372 19108 18781 1 21 . 1 1 142 142 MET CB C 142 33.170 33.170 32.147 1.023 19108 18782 1 21 . 1 1 142 142 MET H H 142 8.241 8.241 8.382 -0.141 19108 18783 1 21 . 1 1 143 143 LEU N N 143 118.659 118.659 118.446 0.213 19108 18784 1 21 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.871 0.421 19108 18785 1 21 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.759 0.356 19108 18786 1 21 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.621 -0.244 19108 18787 1 21 . 1 1 143 143 LEU H H 143 7.932 7.932 8.424 -0.492 19108 18788 1 21 . 1 1 144 144 ARG N N 144 121.294 121.294 118.969 2.325 19108 18789 1 21 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.902 0.524 19108 18790 1 21 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.254 -0.265 19108 18791 1 21 . 1 1 144 144 ARG CB C 144 28.108 28.108 30.093 -1.985 19108 18792 1 21 . 1 1 144 144 ARG H H 144 7.968 7.968 7.565 0.403 19108 18793 1 21 . 1 1 145 145 ASP N N 145 122.553 122.553 116.509 6.044 19108 18794 1 21 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.554 -0.125 19108 18795 1 21 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.487 1.091 19108 18796 1 21 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.312 -1.722 19108 18797 1 21 . 1 1 145 145 ASP H H 145 8.868 8.868 7.865 1.003 19108 18798 1 21 . 1 1 146 146 ALA N N 146 120.102 120.102 121.910 -1.808 19108 18799 1 21 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.364 0.054 19108 18800 1 21 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.295 -0.261 19108 18801 1 21 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.110 -0.815 19108 18802 1 21 . 1 1 146 146 ALA H H 146 7.737 7.737 7.506 0.231 19108 18803 1 21 . 1 1 147 147 GLY N N 147 105.039 105.039 107.518 -2.479 19108 18804 1 21 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.252 -0.388 19108 18805 1 21 . 1 1 147 147 GLY H H 147 7.966 7.966 7.895 0.071 19108 18806 1 21 . 1 1 148 148 ALA N N 148 124.181 124.181 122.114 2.067 19108 18807 1 21 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.592 0.097 19108 18808 1 21 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.951 0.508 19108 18809 1 21 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.936 -3.457 19108 18810 1 21 . 1 1 148 148 ALA H H 148 8.051 8.051 7.473 0.578 19108 18811 1 21 . 1 1 149 149 GLN N N 149 122.185 122.185 119.653 2.532 19108 18812 1 21 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.473 -0.034 19108 18813 1 21 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.243 -0.288 19108 18814 1 21 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.863 -0.442 19108 18815 1 21 . 1 1 149 149 GLN H H 149 7.953 7.953 8.081 -0.128 19108 18816 1 21 . 1 1 150 150 VAL N N 150 127.399 127.399 124.772 2.627 19108 18817 1 21 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.345 0.407 19108 18818 1 21 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.816 -0.377 19108 18819 1 21 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.475 0.703 19108 18820 1 21 . 1 1 150 150 VAL H H 150 8.658 8.658 8.620 0.038 19108 18821 1 21 . 1 1 151 151 SER N N 151 120.616 120.616 122.008 -1.392 19108 18822 1 21 . 1 1 151 151 SER HA H 151 5.179 5.179 4.834 0.345 19108 18823 1 21 . 1 1 151 151 SER CA C 151 56.981 56.981 57.806 -0.825 19108 18824 1 21 . 1 1 151 151 SER CB C 151 66.538 66.538 66.798 -0.260 19108 18825 1 21 . 1 1 151 151 SER H H 151 8.737 8.737 8.205 0.532 19108 18826 1 21 . 1 1 152 152 ILE N N 152 123.180 123.180 121.952 1.228 19108 18827 1 21 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.492 0.655 19108 18828 1 21 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.527 -4.009 19108 18829 1 21 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.221 -2.141 19108 18830 1 21 . 1 1 152 152 ILE H H 152 8.672 8.672 8.518 0.154 19108 18831 1 21 . 1 1 153 153 MET N N 153 123.477 123.477 128.863 -5.386 19108 18832 1 21 . 1 1 153 153 MET HA H 153 3.886 3.886 4.380 -0.494 19108 18833 1 21 . 1 1 153 153 MET CA C 153 59.053 59.053 56.350 2.703 19108 18834 1 21 . 1 1 153 153 MET CB C 153 34.793 34.793 32.598 2.195 19108 18835 1 21 . 1 1 153 153 MET H H 153 8.314 8.314 8.112 0.202 19108 18836 1 21 . 1 1 154 154 THR N N 154 117.621 117.621 115.440 2.181 19108 18837 1 21 . 1 1 154 154 THR HA H 154 4.951 4.951 4.705 0.246 19108 18838 1 21 . 1 1 154 154 THR CA C 154 60.436 60.436 59.822 0.614 19108 18839 1 21 . 1 1 154 154 THR CB C 154 72.370 72.370 71.733 0.637 19108 18840 1 21 . 1 1 154 154 THR H H 154 9.630 9.630 7.695 1.935 19108 18841 1 21 . 1 1 155 155 TYR N N 155 121.751 121.751 123.149 -1.398 19108 18842 1 21 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.016 0.083 19108 18843 1 21 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.194 2.245 19108 18844 1 21 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.347 0.939 19108 18845 1 21 . 1 1 155 155 TYR H H 155 9.769 9.769 9.060 0.709 19108 18846 1 21 . 1 1 156 156 ASP N N 156 115.555 115.555 117.348 -1.793 19108 18847 1 21 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.024 0.084 19108 18848 1 21 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.894 0.366 19108 18849 1 21 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.403 0.215 19108 18850 1 21 . 1 1 156 156 ASP H H 156 8.230 8.230 8.524 -0.294 19108 18851 1 21 . 1 1 157 157 GLU N N 157 117.678 117.678 120.123 -2.445 19108 18852 1 21 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.972 -0.102 19108 18853 1 21 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.119 1.388 19108 18854 1 21 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.442 1.606 19108 18855 1 21 . 1 1 157 157 GLU H H 157 7.470 7.470 7.488 -0.018 19108 18856 1 21 . 1 1 158 158 PHE N N 158 119.869 119.869 120.653 -0.784 19108 18857 1 21 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.883 -0.054 19108 18858 1 21 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.316 1.460 19108 18859 1 21 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.549 1.358 19108 18860 1 21 . 1 1 158 158 PHE H H 158 8.077 8.077 8.430 -0.353 19108 18861 1 21 . 1 1 159 159 LYS N N 159 118.859 118.859 118.941 -0.082 19108 18862 1 21 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.513 0.404 19108 18863 1 21 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.758 -0.527 19108 18864 1 21 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.199 -0.236 19108 18865 1 21 . 1 1 159 159 LYS H H 159 8.273 8.273 7.459 0.814 19108 18866 1 21 . 1 1 160 160 HIS N N 160 115.889 115.889 118.579 -2.690 19108 18867 1 21 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.415 -0.256 19108 18868 1 21 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.311 1.670 19108 18869 1 21 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.375 -1.445 19108 18870 1 21 . 1 1 160 160 HIS H H 160 7.695 7.695 7.648 0.047 19108 18871 1 21 . 1 1 161 161 CYS N N 161 118.188 118.188 119.096 -0.908 19108 18872 1 21 . 1 1 161 161 CYS HA H 161 3.789 3.789 2.992 0.797 19108 18873 1 21 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.887 0.907 19108 18874 1 21 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.065 1.821 19108 18875 1 21 . 1 1 161 161 CYS H H 161 7.885 7.885 7.696 0.189 19108 18876 1 21 . 1 1 162 162 TRP N N 162 122.741 122.741 122.178 0.563 19108 18877 1 21 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.427 0.337 19108 18878 1 21 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.656 0.061 19108 18879 1 21 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.329 -0.736 19108 18880 1 21 . 1 1 162 162 TRP H H 162 8.040 8.040 8.126 -0.086 19108 18881 1 21 . 1 1 163 163 ASP N N 163 113.796 113.796 117.560 -3.764 19108 18882 1 21 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.811 0.315 19108 18883 1 21 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.720 1.209 19108 18884 1 21 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.525 1.010 19108 18885 1 21 . 1 1 163 163 ASP H H 163 8.319 8.319 7.878 0.441 19108 18886 1 21 . 1 1 164 164 THR N N 164 112.008 112.008 113.248 -1.240 19108 18887 1 21 . 1 1 164 164 THR HA H 164 3.803 3.803 4.085 -0.282 19108 18888 1 21 . 1 1 164 164 THR CA C 164 65.164 65.164 65.012 0.152 19108 18889 1 21 . 1 1 164 164 THR CB C 164 70.171 70.171 69.347 0.824 19108 18890 1 21 . 1 1 164 164 THR H H 164 7.494 7.494 7.904 -0.410 19108 18891 1 21 . 1 1 165 165 PHE N N 165 115.079 115.079 119.431 -4.352 19108 18892 1 21 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.475 0.060 19108 18893 1 21 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.240 0.729 19108 18894 1 21 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.543 -0.175 19108 18895 1 21 . 1 1 165 165 PHE H H 165 8.235 8.235 7.136 1.099 19108 18896 1 21 . 1 1 166 166 VAL N N 166 118.432 118.432 117.872 0.560 19108 18897 1 21 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.011 0.014 19108 18898 1 21 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.701 1.300 19108 18899 1 21 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.085 -3.730 19108 18900 1 21 . 1 1 166 166 VAL H H 166 6.838 6.838 6.785 0.053 19108 18901 1 21 . 1 1 167 167 ASP N N 167 126.263 126.263 124.317 1.946 19108 18902 1 21 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.374 -0.526 19108 18903 1 21 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.695 -2.065 19108 18904 1 21 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.590 -1.510 19108 18905 1 21 . 1 1 167 167 ASP H H 167 8.498 8.498 8.271 0.227 19108 18906 1 21 . 1 1 168 168 HIS N N 168 119.890 119.890 118.434 1.456 19108 18907 1 21 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.219 0.127 19108 18908 1 21 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.788 -2.213 19108 18909 1 21 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.060 2.402 19108 18910 1 21 . 1 1 168 168 HIS H H 168 6.977 6.977 7.132 -0.155 19108 18911 1 21 . 1 1 169 169 GLN N N 169 119.254 119.254 115.932 3.322 19108 18912 1 21 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.938 -0.215 19108 18913 1 21 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.840 -0.070 19108 18914 1 21 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.975 -0.454 19108 18915 1 21 . 1 1 169 169 GLN H H 169 9.126 9.126 9.006 0.120 19108 18916 1 21 . 1 1 170 170 GLY N N 170 111.911 111.911 101.364 10.547 19108 18917 1 21 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.269 0.555 19108 18918 1 21 . 1 1 170 170 GLY H H 170 11.556 11.556 5.267 6.289 19108 18919 1 21 . 1 1 171 171 CYS N N 171 123.390 123.390 122.402 0.988 19108 18920 1 21 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.968 -0.252 19108 18921 1 21 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.358 1.427 19108 18922 1 21 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.036 -1.132 19108 18923 1 21 . 1 1 171 171 CYS H H 171 8.044 8.044 6.831 1.213 19108 18924 1 21 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.704 -0.086 19108 18925 1 21 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.197 -0.339 19108 18926 1 21 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.383 0.146 19108 18927 1 21 . 1 1 173 173 PHE N N 173 121.101 121.101 120.849 0.252 19108 18928 1 21 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.928 -0.272 19108 18929 1 21 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.052 -1.511 19108 18930 1 21 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.259 -0.513 19108 18931 1 21 . 1 1 173 173 PHE H H 173 8.842 8.842 8.311 0.531 19108 18932 1 21 . 1 1 174 174 GLN N N 174 129.493 129.493 124.697 4.796 19108 18933 1 21 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.256 0.061 19108 18934 1 21 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.398 -1.603 19108 18935 1 21 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.534 0.563 19108 18936 1 21 . 1 1 174 174 GLN H H 174 7.250 7.250 6.972 0.278 19108 18937 1 21 . 1 1 175 175 PRO HA H 175 2.914 2.914 4.107 -1.193 19108 18938 1 21 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.191 0.232 19108 18939 1 21 . 1 1 176 176 TRP N N 176 118.133 118.133 123.628 -5.495 19108 18940 1 21 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.773 -0.140 19108 18941 1 21 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.756 0.406 19108 18942 1 21 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.609 -0.720 19108 18943 1 21 . 1 1 176 176 TRP H H 176 5.591 5.591 7.428 -1.837 19108 18944 1 21 . 1 1 177 177 ASP N N 177 121.814 121.814 124.590 -2.776 19108 18945 1 21 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.440 -0.043 19108 18946 1 21 . 1 1 177 177 ASP CA C 177 56.172 56.172 56.388 -0.216 19108 18947 1 21 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.121 0.554 19108 18948 1 21 . 1 1 177 177 ASP H H 177 8.848 8.848 8.784 0.064 19108 18949 1 21 . 1 1 178 178 GLY N N 178 111.875 111.875 110.980 0.895 19108 18950 1 21 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.070 0.596 19108 18951 1 21 . 1 1 178 178 GLY H H 178 8.987 8.987 8.034 0.953 19108 18952 1 21 . 1 1 179 179 LEU N N 179 121.470 121.470 122.096 -0.626 19108 18953 1 21 . 1 1 179 179 LEU HA H 179 4.488 4.488 3.930 0.558 19108 18954 1 21 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.332 2.450 19108 18955 1 21 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.660 0.569 19108 18956 1 21 . 1 1 179 179 LEU H H 179 7.148 7.148 8.108 -0.960 19108 18957 1 21 . 1 1 180 180 ASP N N 180 119.476 119.476 118.548 0.928 19108 18958 1 21 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.387 0.105 19108 18959 1 21 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.331 0.608 19108 18960 1 21 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.863 0.850 19108 18961 1 21 . 1 1 180 180 ASP H H 180 8.874 8.874 8.591 0.283 19108 18962 1 21 . 1 1 181 181 GLU N N 181 122.379 122.379 120.674 1.705 19108 18963 1 21 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.964 0.048 19108 18964 1 21 . 1 1 181 181 GLU CA C 181 59.969 59.969 60.104 -0.135 19108 18965 1 21 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.391 -0.465 19108 18966 1 21 . 1 1 181 181 GLU H H 181 8.712 8.712 8.198 0.514 19108 18967 1 21 . 1 1 182 182 HIS N N 182 118.572 118.572 117.495 1.077 19108 18968 1 21 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.312 0.442 19108 18969 1 21 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.443 -0.414 19108 18970 1 21 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.631 -0.783 19108 18971 1 21 . 1 1 182 182 HIS H H 182 8.854 8.854 8.348 0.506 19108 18972 1 21 . 1 1 183 183 SER N N 183 116.329 116.329 114.732 1.597 19108 18973 1 21 . 1 1 183 183 SER HA H 183 4.554 4.554 4.169 0.385 19108 18974 1 21 . 1 1 183 183 SER CA C 183 63.604 63.604 62.440 1.164 19108 18975 1 21 . 1 1 183 183 SER CB C 183 65.216 65.216 62.545 2.671 19108 18976 1 21 . 1 1 183 183 SER H H 183 8.665 8.665 8.033 0.632 19108 18977 1 21 . 1 1 184 184 GLN N N 184 122.215 122.215 121.041 1.174 19108 18978 1 21 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.030 0.217 19108 18979 1 21 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.565 0.395 19108 18980 1 21 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.641 0.294 19108 18981 1 21 . 1 1 184 184 GLN H H 184 8.714 8.714 8.142 0.572 19108 18982 1 21 . 1 1 185 185 ALA N N 185 124.432 124.432 121.896 2.536 19108 18983 1 21 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.100 0.184 19108 18984 1 21 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.760 0.709 19108 18985 1 21 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.262 0.112 19108 18986 1 21 . 1 1 185 185 ALA H H 185 8.258 8.258 7.309 0.949 19108 18987 1 21 . 1 1 186 186 LEU N N 186 119.941 119.941 119.376 0.565 19108 18988 1 21 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.949 0.263 19108 18989 1 21 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.152 0.064 19108 18990 1 21 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.323 1.441 19108 18991 1 21 . 1 1 186 186 LEU H H 186 8.953 8.953 7.966 0.987 19108 18992 1 21 . 1 1 187 187 SER N N 187 116.987 116.987 114.003 2.984 19108 18993 1 21 . 1 1 187 187 SER HA H 187 4.039 4.039 4.158 -0.119 19108 18994 1 21 . 1 1 187 187 SER CA C 187 63.302 63.302 61.786 1.516 19108 18995 1 21 . 1 1 187 187 SER CB C 187 62.760 62.760 62.700 0.060 19108 18996 1 21 . 1 1 187 187 SER H H 187 8.935 8.935 8.780 0.155 19108 18997 1 21 . 1 1 188 188 GLY N N 188 110.215 110.215 110.150 0.065 19108 18998 1 21 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.510 0.644 19108 18999 1 21 . 1 1 188 188 GLY H H 188 8.228 8.228 7.436 0.792 19108 19000 1 21 . 1 1 189 189 ARG N N 189 122.994 122.994 122.419 0.575 19108 19001 1 21 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.066 0.171 19108 19002 1 21 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.399 0.160 19108 19003 1 21 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.056 0.339 19108 19004 1 21 . 1 1 189 189 ARG H H 189 7.838 7.838 7.706 0.132 19108 19005 1 21 . 1 1 190 190 LEU N N 190 119.765 119.765 118.826 0.939 19108 19006 1 21 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.196 0.042 19108 19007 1 21 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.775 0.444 19108 19008 1 21 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.314 -0.072 19108 19009 1 21 . 1 1 190 190 LEU H H 190 8.791 8.791 7.766 1.025 19108 19010 1 21 . 1 1 191 191 ARG N N 191 118.427 118.427 116.671 1.756 19108 19011 1 21 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.044 -0.001 19108 19012 1 21 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.407 1.375 19108 19013 1 21 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.100 0.091 19108 19014 1 21 . 1 1 191 191 ARG H H 191 8.305 8.305 7.743 0.562 19108 19015 1 21 . 1 1 192 192 ALA N N 192 119.414 119.414 121.984 -2.570 19108 19016 1 21 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.270 -0.053 19108 19017 1 21 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.307 0.409 19108 19018 1 21 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.756 -0.591 19108 19019 1 21 . 1 1 192 192 ALA H H 192 7.414 7.414 7.767 -0.353 19108 19020 1 21 . 1 1 193 193 ILE N N 193 118.949 118.949 120.286 -1.337 19108 19021 1 21 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.857 -0.087 19108 19022 1 21 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.972 0.866 19108 19023 1 21 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.382 1.064 19108 19024 1 21 . 1 1 193 193 ILE H H 193 7.896 7.896 7.602 0.294 19108 19025 1 21 . 1 1 194 194 LEU N N 194 116.435 116.435 118.543 -2.108 19108 19026 1 21 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.050 0.223 19108 19027 1 21 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.242 -0.529 19108 19028 1 21 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.145 -0.674 19108 19029 1 21 . 1 1 194 194 LEU H H 194 8.296 8.296 7.609 0.687 19108 19030 1 21 . 1 1 195 195 GLN N N 195 118.580 118.580 116.041 2.539 19108 19031 1 21 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.962 0.373 19108 19032 1 21 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.440 -0.023 19108 19033 1 21 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.776 1.822 19108 19034 1 21 . 1 1 195 195 GLN H H 195 7.921 7.921 7.448 0.473 19108 19035 1 21 . 1 1 196 196 ASN N N 196 118.941 118.941 119.603 -0.662 19108 19036 1 21 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.351 0.351 19108 19037 1 21 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.959 -0.509 19108 19038 1 21 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.150 -0.325 19108 19039 1 21 . 1 1 196 196 ASN H H 196 8.078 8.078 8.661 -0.583 19108 19040 1 21 . 1 1 197 197 GLN N N 197 120.984 120.984 119.767 1.217 19108 19041 1 21 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.176 0.180 19108 19042 1 21 . 1 1 197 197 GLN CA C 197 56.166 56.166 58.141 -1.975 19108 19043 1 21 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.944 0.552 19108 19044 1 21 . 1 1 197 197 GLN H H 197 8.526 8.526 8.781 -0.255 19108 19045 1 21 . 1 1 198 198 GLY N N 198 109.565 109.565 105.919 3.646 19108 19046 1 21 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.191 0.192 19108 19047 1 21 . 1 1 198 198 GLY H H 198 8.467 8.467 8.228 0.239 19108 19048 1 22 . 1 1 2 2 GLU HA H 2 4.374 4.374 3.839 0.535 19108 19049 1 22 . 1 1 2 2 GLU CA C 2 56.348 56.348 58.232 -1.884 19108 19050 1 22 . 1 1 2 2 GLU CB C 2 30.453 30.453 28.846 1.607 19108 19051 1 22 . 1 1 3 3 ALA N N 3 125.932 125.932 121.746 4.186 19108 19052 1 22 . 1 1 3 3 ALA HA H 3 4.350 4.350 3.872 0.478 19108 19053 1 22 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.507 -1.100 19108 19054 1 22 . 1 1 3 3 ALA CB C 3 19.580 19.580 17.783 1.797 19108 19055 1 22 . 1 1 3 3 ALA H H 3 8.526 8.526 8.393 0.133 19108 19056 1 22 . 1 1 4 4 SER N N 4 116.729 116.729 115.311 1.418 19108 19057 1 22 . 1 1 4 4 SER HA H 4 4.766 4.766 4.278 0.488 19108 19058 1 22 . 1 1 4 4 SER CA C 4 56.283 56.283 58.355 -2.072 19108 19059 1 22 . 1 1 4 4 SER CB C 4 63.278 63.278 61.537 1.741 19108 19060 1 22 . 1 1 4 4 SER H H 4 8.397 8.397 8.234 0.163 19108 19061 1 22 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.222 0.224 19108 19062 1 22 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.896 -0.590 19108 19063 1 22 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.597 0.500 19108 19064 1 22 . 1 1 6 6 ALA N N 6 124.236 124.236 120.415 3.821 19108 19065 1 22 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.039 0.294 19108 19066 1 22 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.783 -0.220 19108 19067 1 22 . 1 1 6 6 ALA CB C 6 19.334 19.334 17.389 1.945 19108 19068 1 22 . 1 1 6 6 ALA H H 6 8.411 8.411 8.439 -0.028 19108 19069 1 22 . 1 1 7 7 SER N N 7 114.497 114.497 113.336 1.161 19108 19070 1 22 . 1 1 7 7 SER HA H 7 4.475 4.475 4.597 -0.122 19108 19071 1 22 . 1 1 7 7 SER CA C 7 58.258 58.258 57.868 0.390 19108 19072 1 22 . 1 1 7 7 SER CB C 7 64.174 64.174 64.332 -0.158 19108 19073 1 22 . 1 1 7 7 SER H H 7 8.195 8.195 8.365 -0.170 19108 19074 1 22 . 1 1 8 8 GLY N N 8 110.497 110.497 110.971 -0.474 19108 19075 1 22 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.251 0.595 19108 19076 1 22 . 1 1 8 8 GLY H H 8 8.226 8.226 8.014 0.212 19108 19077 1 22 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.465 -0.016 19108 19078 1 22 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.554 0.880 19108 19079 1 22 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.204 -0.011 19108 19080 1 22 . 1 1 10 10 ARG N N 10 120.534 120.534 116.856 3.678 19108 19081 1 22 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.053 0.288 19108 19082 1 22 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.798 -0.782 19108 19083 1 22 . 1 1 10 10 ARG CB C 10 30.809 30.809 29.986 0.823 19108 19084 1 22 . 1 1 10 10 ARG H H 10 8.469 8.469 8.544 -0.075 19108 19085 1 22 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.716 0.109 19108 19086 1 22 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.394 0.067 19108 19087 1 22 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.371 -0.180 19108 19088 1 22 . 1 1 12 12 LEU N N 12 122.284 122.284 122.344 -0.060 19108 19089 1 22 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.851 -0.242 19108 19090 1 22 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.232 1.798 19108 19091 1 22 . 1 1 12 12 LEU H H 12 8.250 8.250 8.348 -0.098 19108 19092 1 22 . 1 1 13 13 MET N N 13 121.493 121.493 119.150 2.343 19108 19093 1 22 . 1 1 13 13 MET HA H 13 4.038 4.038 4.492 -0.454 19108 19094 1 22 . 1 1 13 13 MET CA C 13 54.449 54.449 55.235 -0.786 19108 19095 1 22 . 1 1 13 13 MET CB C 13 35.015 35.015 33.312 1.703 19108 19096 1 22 . 1 1 13 13 MET H H 13 8.955 8.955 8.394 0.561 19108 19097 1 22 . 1 1 14 14 ASP N N 14 127.113 127.113 120.532 6.581 19108 19098 1 22 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.332 -1.232 19108 19099 1 22 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.728 -0.272 19108 19100 1 22 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.082 1.428 19108 19101 1 22 . 1 1 14 14 ASP H H 14 8.514 8.514 8.441 0.073 19108 19102 1 22 . 1 1 15 15 PRO HA H 15 3.853 3.853 3.764 0.089 19108 19103 1 22 . 1 1 15 15 PRO CA C 15 66.654 66.654 65.992 0.662 19108 19104 1 22 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.889 -0.238 19108 19105 1 22 . 1 1 16 16 HIS N N 16 115.776 115.776 116.164 -0.388 19108 19106 1 22 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.384 -0.106 19108 19107 1 22 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.786 -0.868 19108 19108 1 22 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.619 -0.410 19108 19109 1 22 . 1 1 16 16 HIS H H 16 8.591 8.591 8.456 0.135 19108 19110 1 22 . 1 1 17 17 ILE N N 17 122.675 122.675 118.558 4.117 19108 19111 1 22 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.693 -0.209 19108 19112 1 22 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.855 -1.629 19108 19113 1 22 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.938 -0.841 19108 19114 1 22 . 1 1 17 17 ILE H H 17 7.558 7.558 8.247 -0.689 19108 19115 1 22 . 1 1 18 18 PHE N N 18 120.513 120.513 120.856 -0.343 19108 19116 1 22 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.289 -0.286 19108 19117 1 22 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.943 0.861 19108 19118 1 22 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.877 -0.237 19108 19119 1 22 . 1 1 18 18 PHE H H 18 7.831 7.831 7.810 0.021 19108 19120 1 22 . 1 1 19 19 THR N N 19 114.555 114.555 115.596 -1.041 19108 19121 1 22 . 1 1 19 19 THR HA H 19 3.657 3.657 4.064 -0.407 19108 19122 1 22 . 1 1 19 19 THR CA C 19 66.485 66.485 66.283 0.202 19108 19123 1 22 . 1 1 19 19 THR CB C 19 68.345 68.345 68.722 -0.377 19108 19124 1 22 . 1 1 19 19 THR H H 19 9.036 9.036 8.610 0.426 19108 19125 1 22 . 1 1 20 20 SER N N 20 113.030 113.030 117.361 -4.331 19108 19126 1 22 . 1 1 20 20 SER HA H 20 4.062 4.062 4.195 -0.133 19108 19127 1 22 . 1 1 20 20 SER CA C 20 60.610 60.610 61.589 -0.979 19108 19128 1 22 . 1 1 20 20 SER CB C 20 63.843 63.843 62.950 0.893 19108 19129 1 22 . 1 1 20 20 SER H H 20 7.809 7.809 8.072 -0.263 19108 19130 1 22 . 1 1 21 21 ASN N N 21 115.629 115.629 120.859 -5.230 19108 19131 1 22 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.382 0.029 19108 19132 1 22 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.638 1.351 19108 19133 1 22 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.338 3.242 19108 19134 1 22 . 1 1 21 21 ASN H H 21 7.362 7.362 7.740 -0.378 19108 19135 1 22 . 1 1 22 22 PHE N N 22 117.773 117.773 114.432 3.341 19108 19136 1 22 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.585 -0.312 19108 19137 1 22 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.207 -0.747 19108 19138 1 22 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.283 -1.453 19108 19139 1 22 . 1 1 22 22 PHE H H 22 8.296 8.296 8.111 0.185 19108 19140 1 22 . 1 1 23 23 ASN N N 23 115.026 115.026 121.322 -6.296 19108 19141 1 22 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.637 -0.108 19108 19142 1 22 . 1 1 23 23 ASN CA C 23 53.642 53.642 54.588 -0.946 19108 19143 1 22 . 1 1 23 23 ASN CB C 23 36.623 36.623 39.153 -2.530 19108 19144 1 22 . 1 1 23 23 ASN H H 23 6.097 6.097 7.900 -1.803 19108 19145 1 22 . 1 1 24 24 ASN N N 24 122.900 122.900 117.510 5.390 19108 19146 1 22 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.685 -0.252 19108 19147 1 22 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.155 0.118 19108 19148 1 22 . 1 1 24 24 ASN CB C 24 37.892 37.892 39.621 -1.729 19108 19149 1 22 . 1 1 24 24 ASN H H 24 7.083 7.083 8.139 -1.056 19108 19150 1 22 . 1 1 25 25 GLY N N 25 105.587 105.587 113.555 -7.968 19108 19151 1 22 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.390 -0.525 19108 19152 1 22 . 1 1 25 25 GLY H H 25 8.520 8.520 8.550 -0.030 19108 19153 1 22 . 1 1 26 26 ILE N N 26 120.182 120.182 119.631 0.551 19108 19154 1 22 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.249 -0.075 19108 19155 1 22 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.589 1.854 19108 19156 1 22 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.904 1.611 19108 19157 1 22 . 1 1 26 26 ILE H H 26 6.944 6.944 7.504 -0.560 19108 19158 1 22 . 1 1 27 27 GLY N N 27 111.665 111.665 107.811 3.854 19108 19159 1 22 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.350 -0.031 19108 19160 1 22 . 1 1 27 27 GLY H H 27 8.457 8.457 8.309 0.148 19108 19161 1 22 . 1 1 28 28 ARG N N 28 117.565 117.565 118.881 -1.316 19108 19162 1 22 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.002 -1.437 19108 19163 1 22 . 1 1 28 28 ARG H H 28 6.741 6.741 7.910 -1.169 19108 19164 1 22 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.413 2.590 19108 19165 1 22 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.071 0.973 19108 19166 1 22 . 1 1 29 29 HIS H H 29 8.636 8.636 8.636 0.000 19108 19167 1 22 . 1 1 30 30 LYS N N 30 119.344 119.344 123.193 -3.849 19108 19168 1 22 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.315 0.106 19108 19169 1 22 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.018 0.846 19108 19170 1 22 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.573 1.618 19108 19171 1 22 . 1 1 30 30 LYS H H 30 7.870 7.870 7.508 0.362 19108 19172 1 22 . 1 1 31 31 THR N N 31 118.233 118.233 116.161 2.072 19108 19173 1 22 . 1 1 31 31 THR HA H 31 4.125 4.125 3.611 0.514 19108 19174 1 22 . 1 1 31 31 THR CA C 31 63.175 63.175 63.778 -0.603 19108 19175 1 22 . 1 1 31 31 THR H H 31 8.436 8.436 7.381 1.055 19108 19176 1 22 . 1 1 32 32 TYR N N 32 124.026 124.026 124.833 -0.807 19108 19177 1 22 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.780 0.156 19108 19178 1 22 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.799 -0.298 19108 19179 1 22 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.505 1.899 19108 19180 1 22 . 1 1 32 32 TYR H H 32 8.244 8.244 8.582 -0.338 19108 19181 1 22 . 1 1 33 33 LEU N N 33 125.428 125.428 124.912 0.516 19108 19182 1 22 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.463 -0.384 19108 19183 1 22 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.172 1.667 19108 19184 1 22 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.473 1.511 19108 19185 1 22 . 1 1 33 33 LEU H H 33 9.232 9.232 8.295 0.937 19108 19186 1 22 . 1 1 34 34 CYS N N 34 125.975 125.975 125.116 0.859 19108 19187 1 22 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.079 -0.073 19108 19188 1 22 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.288 0.857 19108 19189 1 22 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.921 0.381 19108 19190 1 22 . 1 1 34 34 CYS H H 34 9.640 9.640 9.055 0.585 19108 19191 1 22 . 1 1 35 35 TYR N N 35 121.183 121.183 121.123 0.060 19108 19192 1 22 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.728 0.760 19108 19193 1 22 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.835 -0.053 19108 19194 1 22 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.295 1.795 19108 19195 1 22 . 1 1 35 35 TYR H H 35 9.094 9.094 8.927 0.167 19108 19196 1 22 . 1 1 36 36 GLU N N 36 115.538 115.538 120.738 -5.200 19108 19197 1 22 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.918 0.517 19108 19198 1 22 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.342 1.050 19108 19199 1 22 . 1 1 36 36 GLU CB C 36 34.544 34.544 35.209 -0.665 19108 19200 1 22 . 1 1 36 36 GLU H H 36 8.977 8.977 8.555 0.422 19108 19201 1 22 . 1 1 37 37 VAL N N 37 121.600 121.600 122.317 -0.717 19108 19202 1 22 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.848 0.311 19108 19203 1 22 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.864 0.184 19108 19204 1 22 . 1 1 37 37 VAL CB C 37 35.070 35.070 35.059 0.011 19108 19205 1 22 . 1 1 37 37 VAL H H 37 9.271 9.271 8.995 0.276 19108 19206 1 22 . 1 1 38 38 GLU N N 38 125.227 125.227 125.715 -0.488 19108 19207 1 22 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.213 0.005 19108 19208 1 22 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.672 -0.420 19108 19209 1 22 . 1 1 38 38 GLU CB C 38 34.927 34.927 32.785 2.143 19108 19210 1 22 . 1 1 38 38 GLU H H 38 9.114 9.114 8.523 0.591 19108 19211 1 22 . 1 1 39 39 ARG N N 39 124.872 124.872 126.506 -1.634 19108 19212 1 22 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.282 1.083 19108 19213 1 22 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.398 -0.151 19108 19214 1 22 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.527 1.038 19108 19215 1 22 . 1 1 39 39 ARG H H 39 9.215 9.215 8.402 0.813 19108 19216 1 22 . 1 1 40 40 LEU N N 40 126.510 126.510 126.501 0.009 19108 19217 1 22 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.494 0.259 19108 19218 1 22 . 1 1 40 40 LEU CA C 40 54.323 54.323 55.331 -1.008 19108 19219 1 22 . 1 1 40 40 LEU CB C 40 40.843 40.843 41.516 -0.673 19108 19220 1 22 . 1 1 40 40 LEU H H 40 8.659 8.659 7.752 0.907 19108 19221 1 22 . 1 1 41 41 ASP N N 41 124.410 124.410 122.966 1.444 19108 19222 1 22 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.738 0.055 19108 19223 1 22 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.802 -0.584 19108 19224 1 22 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.753 -1.020 19108 19225 1 22 . 1 1 41 41 ASP H H 41 8.575 8.575 8.523 0.052 19108 19226 1 22 . 1 1 42 42 ASN N N 42 123.319 123.319 123.208 0.111 19108 19227 1 22 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.353 0.067 19108 19228 1 22 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.532 0.641 19108 19229 1 22 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.625 -0.778 19108 19230 1 22 . 1 1 42 42 ASN H H 42 9.048 9.048 9.036 0.012 19108 19231 1 22 . 1 1 43 43 GLY N N 43 106.044 106.044 102.314 3.730 19108 19232 1 22 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.081 0.313 19108 19233 1 22 . 1 1 43 43 GLY H H 43 8.548 8.548 8.255 0.293 19108 19234 1 22 . 1 1 44 44 THR N N 44 115.893 115.893 119.048 -3.155 19108 19235 1 22 . 1 1 44 44 THR HA H 44 4.524 4.524 4.470 0.054 19108 19236 1 22 . 1 1 44 44 THR CA C 44 61.285 61.285 61.925 -0.640 19108 19237 1 22 . 1 1 44 44 THR CB C 44 70.572 70.572 69.721 0.851 19108 19238 1 22 . 1 1 44 44 THR H H 44 7.833 7.833 7.954 -0.121 19108 19239 1 22 . 1 1 45 45 SER N N 45 119.589 119.589 121.932 -2.343 19108 19240 1 22 . 1 1 45 45 SER HA H 45 4.804 4.804 4.469 0.335 19108 19241 1 22 . 1 1 45 45 SER CA C 45 58.080 58.080 58.287 -0.207 19108 19242 1 22 . 1 1 45 45 SER CB C 45 64.265 64.265 63.293 0.972 19108 19243 1 22 . 1 1 45 45 SER H H 45 8.590 8.590 8.653 -0.063 19108 19244 1 22 . 1 1 46 46 VAL N N 46 125.827 125.827 127.382 -1.555 19108 19245 1 22 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.141 0.152 19108 19246 1 22 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.535 0.308 19108 19247 1 22 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.248 1.268 19108 19248 1 22 . 1 1 46 46 VAL H H 46 9.034 9.034 8.431 0.603 19108 19249 1 22 . 1 1 47 47 LYS N N 47 126.528 126.528 128.697 -2.169 19108 19250 1 22 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.599 -0.314 19108 19251 1 22 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.897 1.768 19108 19252 1 22 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.519 -0.727 19108 19253 1 22 . 1 1 47 47 LYS H H 47 8.738 8.738 8.422 0.316 19108 19254 1 22 . 1 1 48 48 MET N N 48 122.645 122.645 125.303 -2.658 19108 19255 1 22 . 1 1 48 48 MET HA H 48 5.195 5.195 4.616 0.579 19108 19256 1 22 . 1 1 48 48 MET CA C 48 54.747 54.747 55.636 -0.889 19108 19257 1 22 . 1 1 48 48 MET CB C 48 32.379 32.379 33.951 -1.572 19108 19258 1 22 . 1 1 48 48 MET H H 48 8.334 8.334 8.181 0.153 19108 19259 1 22 . 1 1 49 49 ASP N N 49 123.713 123.713 120.867 2.846 19108 19260 1 22 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.565 -0.141 19108 19261 1 22 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.915 -0.305 19108 19262 1 22 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.536 -0.502 19108 19263 1 22 . 1 1 49 49 ASP H H 49 8.575 8.575 8.539 0.036 19108 19264 1 22 . 1 1 50 50 GLN N N 50 117.540 117.540 119.382 -1.842 19108 19265 1 22 . 1 1 50 50 GLN H H 50 9.110 9.110 8.553 0.557 19108 19266 1 22 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.760 0.391 19108 19267 1 22 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.323 -1.489 19108 19268 1 22 . 1 1 51 51 HIS H H 51 8.031 8.031 8.063 -0.032 19108 19269 1 22 . 1 1 52 52 ARG N N 52 117.888 117.888 119.054 -1.166 19108 19270 1 22 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.434 0.803 19108 19271 1 22 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.599 0.456 19108 19272 1 22 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.223 0.831 19108 19273 1 22 . 1 1 52 52 ARG H H 52 7.685 7.685 7.417 0.268 19108 19274 1 22 . 1 1 53 53 GLY N N 53 108.573 108.573 105.799 2.774 19108 19275 1 22 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.260 0.449 19108 19276 1 22 . 1 1 53 53 GLY H H 53 7.529 7.529 7.078 0.451 19108 19277 1 22 . 1 1 54 54 PHE N N 54 113.146 113.146 115.826 -2.680 19108 19278 1 22 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.630 0.365 19108 19279 1 22 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.148 -0.291 19108 19280 1 22 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.511 1.853 19108 19281 1 22 . 1 1 54 54 PHE H H 54 8.287 8.287 7.733 0.554 19108 19282 1 22 . 1 1 55 55 LEU N N 55 119.389 119.389 114.688 4.701 19108 19283 1 22 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.469 0.226 19108 19284 1 22 . 1 1 55 55 LEU CA C 55 53.712 53.712 54.279 -0.567 19108 19285 1 22 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.205 1.423 19108 19286 1 22 . 1 1 55 55 LEU H H 55 9.452 9.452 8.702 0.750 19108 19287 1 22 . 1 1 56 56 HIS N N 56 114.176 114.176 116.669 -2.493 19108 19288 1 22 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.117 0.322 19108 19289 1 22 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.388 0.077 19108 19290 1 22 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.902 0.565 19108 19291 1 22 . 1 1 56 56 HIS H H 56 7.709 7.709 7.038 0.671 19108 19292 1 22 . 1 1 57 57 ASN N N 57 116.522 116.522 117.444 -0.922 19108 19293 1 22 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.546 -0.131 19108 19294 1 22 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.117 1.067 19108 19295 1 22 . 1 1 57 57 ASN CB C 57 38.662 38.662 40.699 -2.037 19108 19296 1 22 . 1 1 57 57 ASN H H 57 8.684 8.684 7.917 0.767 19108 19297 1 22 . 1 1 58 58 GLN N N 58 122.850 122.850 117.794 5.056 19108 19298 1 22 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.891 0.498 19108 19299 1 22 . 1 1 58 58 GLN CA C 58 54.853 54.853 58.459 -3.606 19108 19300 1 22 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.534 1.848 19108 19301 1 22 . 1 1 58 58 GLN H H 58 9.099 9.099 8.261 0.838 19108 19302 1 22 . 1 1 59 59 ALA HA H 59 4.300 4.300 3.974 0.326 19108 19303 1 22 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.777 -0.273 19108 19304 1 22 . 1 1 59 59 ALA CB C 59 19.421 19.421 18.772 0.649 19108 19305 1 22 . 1 1 60 60 LYS N N 60 119.998 119.998 120.744 -0.746 19108 19306 1 22 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.203 -0.427 19108 19307 1 22 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.680 -0.379 19108 19308 1 22 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.750 0.066 19108 19309 1 22 . 1 1 60 60 LYS H H 60 8.344 8.344 8.411 -0.067 19108 19310 1 22 . 1 1 61 61 ASN N N 61 119.688 119.688 113.883 5.805 19108 19311 1 22 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.447 0.008 19108 19312 1 22 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.547 -0.643 19108 19313 1 22 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.531 2.006 19108 19314 1 22 . 1 1 61 61 ASN H H 61 8.643 8.643 8.522 0.121 19108 19315 1 22 . 1 1 62 62 LEU N N 62 124.761 124.761 119.548 5.213 19108 19316 1 22 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.241 -0.307 19108 19317 1 22 . 1 1 62 62 LEU CA C 62 57.245 57.245 58.456 -1.211 19108 19318 1 22 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.855 -0.912 19108 19319 1 22 . 1 1 62 62 LEU H H 62 8.873 8.873 8.116 0.757 19108 19320 1 22 . 1 1 63 63 LEU N N 63 120.312 120.312 119.937 0.375 19108 19321 1 22 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.167 0.032 19108 19322 1 22 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.606 -0.529 19108 19323 1 22 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.303 -0.046 19108 19324 1 22 . 1 1 63 63 LEU H H 63 8.145 8.145 8.134 0.011 19108 19325 1 22 . 1 1 64 64 CYS N N 64 113.898 113.898 115.291 -1.393 19108 19326 1 22 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.361 -0.190 19108 19327 1 22 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.479 -1.695 19108 19328 1 22 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.389 1.329 19108 19329 1 22 . 1 1 64 64 CYS H H 64 7.376 7.376 7.832 -0.456 19108 19330 1 22 . 1 1 65 65 GLY N N 65 108.894 108.894 108.221 0.673 19108 19331 1 22 . 1 1 65 65 GLY CA C 65 45.983 45.983 46.410 -0.427 19108 19332 1 22 . 1 1 65 65 GLY H H 65 7.789 7.789 8.284 -0.495 19108 19333 1 22 . 1 1 66 66 PHE N N 66 118.711 118.711 118.495 0.216 19108 19334 1 22 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.367 -0.450 19108 19335 1 22 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.176 -2.236 19108 19336 1 22 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.979 0.289 19108 19337 1 22 . 1 1 66 66 PHE H H 66 7.699 7.699 7.641 0.058 19108 19338 1 22 . 1 1 67 67 TYR N N 67 124.623 124.623 115.996 8.627 19108 19339 1 22 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.962 -0.662 19108 19340 1 22 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.344 1.419 19108 19341 1 22 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.392 -1.239 19108 19342 1 22 . 1 1 67 67 TYR H H 67 8.568 8.568 7.389 1.179 19108 19343 1 22 . 1 1 69 69 ARG N N 69 121.427 121.427 119.690 1.737 19108 19344 1 22 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.691 2.366 19108 19345 1 22 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.095 0.201 19108 19346 1 22 . 1 1 69 69 ARG H H 69 8.313 8.313 8.101 0.212 19108 19347 1 22 . 1 1 70 70 HIS N N 70 128.351 128.351 122.716 5.635 19108 19348 1 22 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.341 0.441 19108 19349 1 22 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.239 1.477 19108 19350 1 22 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.576 1.200 19108 19351 1 22 . 1 1 70 70 HIS H H 70 9.182 9.182 8.998 0.184 19108 19352 1 22 . 1 1 71 71 ALA N N 71 125.649 125.649 125.362 0.287 19108 19353 1 22 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.950 -0.593 19108 19354 1 22 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.449 1.333 19108 19355 1 22 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.800 -0.790 19108 19356 1 22 . 1 1 71 71 ALA H H 71 8.968 8.968 8.708 0.260 19108 19357 1 22 . 1 1 72 72 GLU N N 72 119.941 119.941 118.733 1.208 19108 19358 1 22 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.656 -0.679 19108 19359 1 22 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.211 1.745 19108 19360 1 22 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.969 -0.963 19108 19361 1 22 . 1 1 72 72 GLU H H 72 12.692 12.692 8.223 4.469 19108 19362 1 22 . 1 1 73 73 LEU N N 73 114.882 114.882 118.891 -4.009 19108 19363 1 22 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.885 -0.300 19108 19364 1 22 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.203 -1.542 19108 19365 1 22 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.597 -2.352 19108 19366 1 22 . 1 1 73 73 LEU H H 73 6.637 6.637 6.976 -0.339 19108 19367 1 22 . 1 1 74 74 ARG N N 74 117.799 117.799 117.604 0.195 19108 19368 1 22 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.470 0.572 19108 19369 1 22 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.360 -0.185 19108 19370 1 22 . 1 1 74 74 ARG H H 74 7.556 7.556 7.643 -0.087 19108 19371 1 22 . 1 1 75 75 PHE N N 75 119.783 119.783 120.261 -0.478 19108 19372 1 22 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.237 -0.676 19108 19373 1 22 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.726 1.948 19108 19374 1 22 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.950 -0.912 19108 19375 1 22 . 1 1 75 75 PHE H H 75 8.233 8.233 7.608 0.625 19108 19376 1 22 . 1 1 76 76 LEU N N 76 119.526 119.526 120.359 -0.833 19108 19377 1 22 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.363 0.195 19108 19378 1 22 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.081 0.959 19108 19379 1 22 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.971 -2.955 19108 19380 1 22 . 1 1 76 76 LEU H H 76 7.629 7.629 7.560 0.069 19108 19381 1 22 . 1 1 77 77 ASP N N 77 118.215 118.215 119.945 -1.730 19108 19382 1 22 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.411 -0.253 19108 19383 1 22 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.293 0.107 19108 19384 1 22 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.312 -0.944 19108 19385 1 22 . 1 1 77 77 ASP H H 77 8.190 8.190 8.324 -0.134 19108 19386 1 22 . 1 1 78 78 LEU N N 78 117.496 117.496 115.096 2.400 19108 19387 1 22 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.541 -0.251 19108 19388 1 22 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.514 -0.529 19108 19389 1 22 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.099 0.302 19108 19390 1 22 . 1 1 78 78 LEU H H 78 7.252 7.252 7.264 -0.012 19108 19391 1 22 . 1 1 79 79 VAL N N 79 120.915 120.915 123.261 -2.346 19108 19392 1 22 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.484 -0.261 19108 19393 1 22 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.454 1.074 19108 19394 1 22 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.809 0.311 19108 19395 1 22 . 1 1 79 79 VAL H H 79 7.179 7.179 7.324 -0.145 19108 19396 1 22 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.316 -0.341 19108 19397 1 22 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.828 0.959 19108 19398 1 22 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.030 -1.222 19108 19399 1 22 . 1 1 81 81 SER N N 81 112.727 112.727 114.379 -1.652 19108 19400 1 22 . 1 1 81 81 SER HA H 81 4.314 4.314 4.283 0.031 19108 19401 1 22 . 1 1 81 81 SER CA C 81 60.618 60.618 60.462 0.156 19108 19402 1 22 . 1 1 81 81 SER CB C 81 63.450 63.450 62.853 0.597 19108 19403 1 22 . 1 1 81 81 SER H H 81 7.828 7.828 7.435 0.393 19108 19404 1 22 . 1 1 82 82 LEU N N 82 120.918 120.918 119.137 1.781 19108 19405 1 22 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.243 -0.369 19108 19406 1 22 . 1 1 82 82 LEU CA C 82 55.492 55.492 56.131 -0.639 19108 19407 1 22 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.622 -2.411 19108 19408 1 22 . 1 1 82 82 LEU H H 82 7.912 7.912 7.760 0.152 19108 19409 1 22 . 1 1 83 83 GLN N N 83 111.397 111.397 113.440 -2.043 19108 19410 1 22 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.898 -0.090 19108 19411 1 22 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.694 0.472 19108 19412 1 22 . 1 1 83 83 GLN CB C 83 26.668 26.668 25.801 0.867 19108 19413 1 22 . 1 1 83 83 GLN H H 83 7.458 7.458 7.527 -0.069 19108 19414 1 22 . 1 1 84 84 LEU N N 84 118.520 118.520 119.352 -0.832 19108 19415 1 22 . 1 1 84 84 LEU HA H 84 3.719 3.719 3.977 -0.258 19108 19416 1 22 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.904 -1.162 19108 19417 1 22 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.166 -2.921 19108 19418 1 22 . 1 1 84 84 LEU H H 84 8.736 8.736 7.966 0.770 19108 19419 1 22 . 1 1 85 85 ASP N N 85 126.187 126.187 120.469 5.718 19108 19420 1 22 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.121 -0.238 19108 19421 1 22 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.137 0.209 19108 19422 1 22 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.819 1.129 19108 19423 1 22 . 1 1 85 85 ASP H H 85 8.415 8.415 8.294 0.120 19108 19424 1 22 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.513 0.415 19108 19425 1 22 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.409 -0.770 19108 19426 1 22 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.562 -0.276 19108 19427 1 22 . 1 1 87 87 ALA N N 87 121.030 121.030 117.457 3.573 19108 19428 1 22 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.157 0.261 19108 19429 1 22 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.496 -1.324 19108 19430 1 22 . 1 1 87 87 ALA CB C 87 19.348 19.348 19.115 0.233 19108 19431 1 22 . 1 1 87 87 ALA H H 87 8.504 8.504 8.067 0.437 19108 19432 1 22 . 1 1 88 88 GLN N N 88 119.601 119.601 115.138 4.463 19108 19433 1 22 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.605 -0.083 19108 19434 1 22 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.176 -0.742 19108 19435 1 22 . 1 1 88 88 GLN CB C 88 30.049 30.049 32.908 -2.859 19108 19436 1 22 . 1 1 88 88 GLN H H 88 8.125 8.125 7.900 0.225 19108 19437 1 22 . 1 1 89 89 ILE N N 89 118.195 118.195 117.478 0.717 19108 19438 1 22 . 1 1 89 89 ILE HA H 89 4.969 4.969 5.251 -0.282 19108 19439 1 22 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.838 -0.297 19108 19440 1 22 . 1 1 89 89 ILE CB C 89 39.252 39.252 40.245 -0.994 19108 19441 1 22 . 1 1 89 89 ILE H H 89 8.099 8.099 8.207 -0.108 19108 19442 1 22 . 1 1 90 90 TYR N N 90 122.421 122.421 121.355 1.066 19108 19443 1 22 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.162 0.199 19108 19444 1 22 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.142 -1.102 19108 19445 1 22 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.834 -1.008 19108 19446 1 22 . 1 1 90 90 TYR H H 90 8.892 8.892 8.425 0.467 19108 19447 1 22 . 1 1 91 91 ARG N N 91 121.043 121.043 121.264 -0.221 19108 19448 1 22 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.710 0.533 19108 19449 1 22 . 1 1 91 91 ARG CA C 91 54.535 54.535 54.633 -0.098 19108 19450 1 22 . 1 1 91 91 ARG CB C 91 33.132 33.132 32.058 1.074 19108 19451 1 22 . 1 1 91 91 ARG H H 91 9.327 9.327 8.753 0.574 19108 19452 1 22 . 1 1 92 92 VAL N N 92 132.287 132.287 129.317 2.970 19108 19453 1 22 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.961 -0.037 19108 19454 1 22 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.456 -0.551 19108 19455 1 22 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.443 0.410 19108 19456 1 22 . 1 1 92 92 VAL H H 92 9.668 9.668 8.628 1.040 19108 19457 1 22 . 1 1 93 93 THR N N 93 124.468 124.468 125.323 -0.855 19108 19458 1 22 . 1 1 93 93 THR HA H 93 5.264 5.264 4.655 0.609 19108 19459 1 22 . 1 1 93 93 THR CA C 93 61.616 61.616 62.583 -0.967 19108 19460 1 22 . 1 1 93 93 THR CB C 93 70.082 70.082 69.656 0.426 19108 19461 1 22 . 1 1 93 93 THR H H 93 9.381 9.381 8.398 0.983 19108 19462 1 22 . 1 1 94 94 TRP N N 94 124.491 124.491 127.831 -3.340 19108 19463 1 22 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.040 0.626 19108 19464 1 22 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.067 -2.862 19108 19465 1 22 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.028 2.640 19108 19466 1 22 . 1 1 94 94 TRP H H 94 9.071 9.071 9.100 -0.029 19108 19467 1 22 . 1 1 95 95 PHE N N 95 122.179 122.179 122.805 -0.626 19108 19468 1 22 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.003 0.667 19108 19469 1 22 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.362 -0.588 19108 19470 1 22 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.368 -0.919 19108 19471 1 22 . 1 1 95 95 PHE H H 95 9.578 9.578 8.993 0.585 19108 19472 1 22 . 1 1 96 96 ILE N N 96 125.072 125.072 122.598 2.474 19108 19473 1 22 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.191 0.782 19108 19474 1 22 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.916 -1.489 19108 19475 1 22 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.261 4.812 19108 19476 1 22 . 1 1 96 96 ILE H H 96 9.816 9.816 9.381 0.435 19108 19477 1 22 . 1 1 97 97 SER N N 97 124.020 124.020 119.947 4.073 19108 19478 1 22 . 1 1 97 97 SER HA H 97 3.623 3.623 4.613 -0.990 19108 19479 1 22 . 1 1 97 97 SER CA C 97 61.750 61.750 60.459 1.291 19108 19480 1 22 . 1 1 97 97 SER CB C 97 63.711 63.711 63.536 0.175 19108 19481 1 22 . 1 1 97 97 SER H H 97 9.156 9.156 8.525 0.631 19108 19482 1 22 . 1 1 98 98 TRP N N 98 114.829 114.829 120.898 -6.069 19108 19483 1 22 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.170 0.169 19108 19484 1 22 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.635 -1.964 19108 19485 1 22 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.642 3.109 19108 19486 1 22 . 1 1 98 98 TRP H H 98 6.619 6.619 7.585 -0.966 19108 19487 1 22 . 1 1 99 99 SER N N 99 115.444 115.444 118.342 -2.898 19108 19488 1 22 . 1 1 99 99 SER CA C 99 58.045 58.045 57.356 0.689 19108 19489 1 22 . 1 1 99 99 SER CB C 99 61.927 61.927 63.722 -1.795 19108 19490 1 22 . 1 1 99 99 SER H H 99 8.590 8.590 8.336 0.254 19108 19491 1 22 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.449 -1.524 19108 19492 1 22 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.523 2.273 19108 19493 1 22 . 1 1 101 101 CYS N N 101 121.768 121.768 115.017 6.751 19108 19494 1 22 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.542 0.117 19108 19495 1 22 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.168 1.021 19108 19496 1 22 . 1 1 101 101 CYS H H 101 8.686 8.686 8.031 0.655 19108 19497 1 22 . 1 1 102 102 PHE N N 102 115.031 115.031 123.089 -8.058 19108 19498 1 22 . 1 1 102 102 PHE CA C 102 58.960 58.960 54.965 3.995 19108 19499 1 22 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.036 1.121 19108 19500 1 22 . 1 1 102 102 PHE H H 102 9.318 9.318 8.070 1.248 19108 19501 1 22 . 1 1 103 103 SER N N 103 119.552 119.552 123.944 -4.392 19108 19502 1 22 . 1 1 103 103 SER HA H 103 3.713 3.713 4.173 -0.460 19108 19503 1 22 . 1 1 103 103 SER CA C 103 63.368 63.368 62.161 1.207 19108 19504 1 22 . 1 1 103 103 SER CB C 103 60.539 60.539 63.195 -2.656 19108 19505 1 22 . 1 1 103 103 SER H H 103 10.858 10.858 8.795 2.063 19108 19506 1 22 . 1 1 104 104 TRP N N 104 117.909 117.909 121.072 -3.163 19108 19507 1 22 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.652 -0.876 19108 19508 1 22 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.649 -0.435 19108 19509 1 22 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.759 -0.873 19108 19510 1 22 . 1 1 104 104 TRP H H 104 7.880 7.880 8.600 -0.720 19108 19511 1 22 . 1 1 105 105 GLY N N 105 106.359 106.359 107.978 -1.619 19108 19512 1 22 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.715 -0.634 19108 19513 1 22 . 1 1 105 105 GLY H H 105 7.468 7.468 8.649 -1.181 19108 19514 1 22 . 1 1 106 106 CYS N N 106 120.359 120.359 121.228 -0.869 19108 19515 1 22 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.683 -0.824 19108 19516 1 22 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.583 5.519 19108 19517 1 22 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.226 2.492 19108 19518 1 22 . 1 1 106 106 CYS H H 106 7.366 7.366 8.194 -0.828 19108 19519 1 22 . 1 1 107 107 ALA N N 107 119.725 119.725 123.803 -4.078 19108 19520 1 22 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.115 -0.250 19108 19521 1 22 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.228 1.706 19108 19522 1 22 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.116 0.327 19108 19523 1 22 . 1 1 107 107 ALA H H 107 8.719 8.719 8.224 0.495 19108 19524 1 22 . 1 1 108 108 GLY N N 108 103.829 103.829 106.615 -2.786 19108 19525 1 22 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.338 -0.444 19108 19526 1 22 . 1 1 108 108 GLY H H 108 8.555 8.555 8.260 0.295 19108 19527 1 22 . 1 1 109 109 GLU N N 109 123.162 123.162 121.495 1.667 19108 19528 1 22 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.143 0.123 19108 19529 1 22 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.988 0.304 19108 19530 1 22 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.497 0.885 19108 19531 1 22 . 1 1 109 109 GLU H H 109 8.023 8.023 7.612 0.411 19108 19532 1 22 . 1 1 110 110 VAL N N 110 121.866 121.866 120.095 1.771 19108 19533 1 22 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.638 0.061 19108 19534 1 22 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.660 1.383 19108 19535 1 22 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.062 -0.056 19108 19536 1 22 . 1 1 110 110 VAL H H 110 8.942 8.942 8.122 0.820 19108 19537 1 22 . 1 1 111 111 ARG N N 111 120.587 120.587 120.379 0.208 19108 19538 1 22 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.904 -0.118 19108 19539 1 22 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.373 0.708 19108 19540 1 22 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.419 -0.244 19108 19541 1 22 . 1 1 111 111 ARG H H 111 8.653 8.653 8.533 0.120 19108 19542 1 22 . 1 1 112 112 ALA N N 112 120.687 120.687 121.665 -0.978 19108 19543 1 22 . 1 1 112 112 ALA HA H 112 4.134 4.134 3.988 0.146 19108 19544 1 22 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.763 0.655 19108 19545 1 22 . 1 1 112 112 ALA CB C 112 17.991 17.991 17.980 0.011 19108 19546 1 22 . 1 1 112 112 ALA H H 112 7.875 7.875 7.868 0.007 19108 19547 1 22 . 1 1 113 113 PHE N N 113 118.950 118.950 118.364 0.586 19108 19548 1 22 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.312 0.025 19108 19549 1 22 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.486 -0.111 19108 19550 1 22 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.334 0.053 19108 19551 1 22 . 1 1 113 113 PHE H H 113 8.139 8.139 7.848 0.291 19108 19552 1 22 . 1 1 114 114 LEU N N 114 120.595 120.595 120.439 0.156 19108 19553 1 22 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.873 -0.073 19108 19554 1 22 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.751 -0.618 19108 19555 1 22 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.248 -1.339 19108 19556 1 22 . 1 1 114 114 LEU H H 114 8.639 8.639 8.345 0.294 19108 19557 1 22 . 1 1 115 115 GLN N N 115 117.666 117.666 115.901 1.765 19108 19558 1 22 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.008 0.015 19108 19559 1 22 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.203 0.183 19108 19560 1 22 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.227 0.312 19108 19561 1 22 . 1 1 115 115 GLN H H 115 8.167 8.167 8.109 0.058 19108 19562 1 22 . 1 1 116 116 GLU N N 116 115.380 115.380 119.801 -4.421 19108 19563 1 22 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.274 0.048 19108 19564 1 22 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.773 0.289 19108 19565 1 22 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.036 -0.321 19108 19566 1 22 . 1 1 116 116 GLU H H 116 7.448 7.448 7.819 -0.371 19108 19567 1 22 . 1 1 117 117 ASN N N 117 119.831 119.831 117.212 2.619 19108 19568 1 22 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.977 0.088 19108 19569 1 22 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.320 -0.135 19108 19570 1 22 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.754 -0.508 19108 19571 1 22 . 1 1 117 117 ASN H H 117 7.632 7.632 8.195 -0.563 19108 19572 1 22 . 1 1 118 118 THR N N 118 111.041 111.041 116.608 -5.567 19108 19573 1 22 . 1 1 118 118 THR HA H 118 4.317 4.317 3.938 0.379 19108 19574 1 22 . 1 1 118 118 THR CA C 118 64.081 64.081 64.643 -0.562 19108 19575 1 22 . 1 1 118 118 THR CB C 118 68.767 68.767 68.728 0.039 19108 19576 1 22 . 1 1 118 118 THR H H 118 8.054 8.054 7.772 0.282 19108 19577 1 22 . 1 1 119 119 HIS N N 119 120.403 120.403 113.861 6.542 19108 19578 1 22 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.667 -0.378 19108 19579 1 22 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.033 1.568 19108 19580 1 22 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.532 1.788 19108 19581 1 22 . 1 1 119 119 HIS H H 119 9.248 9.248 8.245 1.003 19108 19582 1 22 . 1 1 120 120 VAL N N 120 120.001 120.001 118.224 1.777 19108 19583 1 22 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.714 -0.188 19108 19584 1 22 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.277 1.613 19108 19585 1 22 . 1 1 120 120 VAL CB C 120 32.995 32.995 35.264 -2.269 19108 19586 1 22 . 1 1 120 120 VAL H H 120 7.379 7.379 7.435 -0.056 19108 19587 1 22 . 1 1 121 121 ARG N N 121 125.312 125.312 124.339 0.973 19108 19588 1 22 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.519 0.291 19108 19589 1 22 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.018 -1.951 19108 19590 1 22 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.079 -1.499 19108 19591 1 22 . 1 1 121 121 ARG H H 121 8.775 8.775 8.427 0.348 19108 19592 1 22 . 1 1 122 122 LEU N N 122 125.483 125.483 124.638 0.845 19108 19593 1 22 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.821 0.339 19108 19594 1 22 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.561 -0.260 19108 19595 1 22 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.200 2.471 19108 19596 1 22 . 1 1 122 122 LEU H H 122 9.345 9.345 8.544 0.801 19108 19597 1 22 . 1 1 123 123 ARG N N 123 127.748 127.748 126.127 1.621 19108 19598 1 22 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.438 0.298 19108 19599 1 22 . 1 1 123 123 ARG CA C 123 54.167 54.167 53.283 0.884 19108 19600 1 22 . 1 1 123 123 ARG CB C 123 32.812 32.812 31.368 1.444 19108 19601 1 22 . 1 1 123 123 ARG H H 123 9.053 9.053 8.190 0.863 19108 19602 1 22 . 1 1 124 124 ILE N N 124 123.665 123.665 123.986 -0.321 19108 19603 1 22 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.116 0.326 19108 19604 1 22 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.654 0.105 19108 19605 1 22 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.317 1.576 19108 19606 1 22 . 1 1 124 124 ILE H H 124 9.019 9.019 8.574 0.445 19108 19607 1 22 . 1 1 125 125 PHE N N 125 126.320 126.320 126.770 -0.450 19108 19608 1 22 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.494 -0.329 19108 19609 1 22 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.393 0.521 19108 19610 1 22 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.493 -0.674 19108 19611 1 22 . 1 1 125 125 PHE H H 125 9.359 9.359 8.090 1.269 19108 19612 1 22 . 1 1 126 126 ALA N N 126 124.526 124.526 127.868 -3.342 19108 19613 1 22 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.299 0.517 19108 19614 1 22 . 1 1 126 126 ALA CA C 126 48.870 48.870 49.935 -1.065 19108 19615 1 22 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.044 1.290 19108 19616 1 22 . 1 1 126 126 ALA H H 126 9.091 9.091 8.760 0.331 19108 19617 1 22 . 1 1 127 127 ALA N N 127 126.272 126.272 128.160 -1.888 19108 19618 1 22 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.295 0.456 19108 19619 1 22 . 1 1 127 127 ALA CA C 127 55.468 55.468 54.286 1.182 19108 19620 1 22 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.515 0.090 19108 19621 1 22 . 1 1 127 127 ALA H H 127 9.049 9.049 9.090 -0.041 19108 19622 1 22 . 1 1 128 128 ARG N N 128 108.570 108.570 117.490 -8.920 19108 19623 1 22 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.453 -0.039 19108 19624 1 22 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.027 4.179 19108 19625 1 22 . 1 1 128 128 ARG H H 128 6.741 6.741 7.639 -0.898 19108 19626 1 22 . 1 1 129 129 ILE N N 129 121.285 121.285 124.376 -3.091 19108 19627 1 22 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.090 0.201 19108 19628 1 22 . 1 1 129 129 ILE CA C 129 60.867 60.867 59.331 1.536 19108 19629 1 22 . 1 1 129 129 ILE CB C 129 38.829 38.829 36.305 2.524 19108 19630 1 22 . 1 1 129 129 ILE H H 129 8.340 8.340 8.294 0.046 19108 19631 1 22 . 1 1 130 130 TYR N N 130 130.143 130.143 125.426 4.717 19108 19632 1 22 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.369 0.966 19108 19633 1 22 . 1 1 130 130 TYR CA C 130 56.926 56.926 58.081 -1.155 19108 19634 1 22 . 1 1 130 130 TYR CB C 130 38.163 38.163 42.174 -4.011 19108 19635 1 22 . 1 1 130 130 TYR H H 130 8.870 8.870 8.143 0.727 19108 19636 1 22 . 1 1 131 131 ASP N N 131 123.662 123.662 123.402 0.260 19108 19637 1 22 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.940 -1.273 19108 19638 1 22 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.801 0.912 19108 19639 1 22 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.706 -3.805 19108 19640 1 22 . 1 1 131 131 ASP H H 131 8.123 8.123 8.396 -0.273 19108 19641 1 22 . 1 1 132 132 TYR N N 132 116.852 116.852 119.996 -3.144 19108 19642 1 22 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.476 -0.561 19108 19643 1 22 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.398 0.070 19108 19644 1 22 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.706 0.331 19108 19645 1 22 . 1 1 132 132 TYR H H 132 6.448 6.448 8.694 -2.246 19108 19646 1 22 . 1 1 133 133 ASP N N 133 116.930 116.930 120.076 -3.146 19108 19647 1 22 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.132 -0.967 19108 19648 1 22 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.600 2.182 19108 19649 1 22 . 1 1 133 133 ASP H H 133 7.005 7.005 7.786 -0.781 19108 19650 1 22 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.364 -0.261 19108 19651 1 22 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.108 -0.407 19108 19652 1 22 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.908 0.182 19108 19653 1 22 . 1 1 135 135 LEU N N 135 120.252 120.252 118.484 1.768 19108 19654 1 22 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.206 0.492 19108 19655 1 22 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.506 -1.125 19108 19656 1 22 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.081 -1.337 19108 19657 1 22 . 1 1 135 135 LEU H H 135 8.456 8.456 7.819 0.637 19108 19658 1 22 . 1 1 136 136 TYR N N 136 117.432 117.432 119.214 -1.782 19108 19659 1 22 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.083 -0.022 19108 19660 1 22 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.617 1.441 19108 19661 1 22 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.093 0.487 19108 19662 1 22 . 1 1 136 136 TYR H H 136 8.028 8.028 7.863 0.165 19108 19663 1 22 . 1 1 137 137 LYS N N 137 122.000 122.000 119.492 2.508 19108 19664 1 22 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.507 0.792 19108 19665 1 22 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.601 -0.803 19108 19666 1 22 . 1 1 137 137 LYS H H 137 7.503 7.503 6.814 0.689 19108 19667 1 22 . 1 1 138 138 GLU N N 138 121.833 121.833 118.228 3.605 19108 19668 1 22 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.054 0.787 19108 19669 1 22 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.083 -1.614 19108 19670 1 22 . 1 1 138 138 GLU H H 138 8.752 8.752 8.391 0.361 19108 19671 1 22 . 1 1 139 139 ALA N N 139 119.592 119.592 122.143 -2.551 19108 19672 1 22 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.225 -0.379 19108 19673 1 22 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.998 0.142 19108 19674 1 22 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.496 1.759 19108 19675 1 22 . 1 1 139 139 ALA H H 139 7.682 7.682 7.648 0.034 19108 19676 1 22 . 1 1 140 140 LEU N N 140 116.268 116.268 119.369 -3.101 19108 19677 1 22 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.048 0.145 19108 19678 1 22 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.715 -0.619 19108 19679 1 22 . 1 1 140 140 LEU H H 140 7.175 7.175 7.650 -0.475 19108 19680 1 22 . 1 1 141 141 GLN N N 141 117.550 117.550 118.060 -0.510 19108 19681 1 22 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.027 -0.308 19108 19682 1 22 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.972 1.079 19108 19683 1 22 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.376 -0.782 19108 19684 1 22 . 1 1 141 141 GLN H H 141 8.322 8.322 7.697 0.625 19108 19685 1 22 . 1 1 142 142 MET N N 142 118.520 118.520 119.575 -1.055 19108 19686 1 22 . 1 1 142 142 MET HA H 142 4.135 4.135 4.121 0.014 19108 19687 1 22 . 1 1 142 142 MET CA C 142 59.051 59.051 58.988 0.063 19108 19688 1 22 . 1 1 142 142 MET CB C 142 33.170 33.170 32.566 0.604 19108 19689 1 22 . 1 1 142 142 MET H H 142 8.241 8.241 8.323 -0.082 19108 19690 1 22 . 1 1 143 143 LEU N N 143 118.659 118.659 119.062 -0.403 19108 19691 1 22 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.050 0.242 19108 19692 1 22 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.842 0.273 19108 19693 1 22 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.826 -0.449 19108 19694 1 22 . 1 1 143 143 LEU H H 143 7.932 7.932 7.691 0.241 19108 19695 1 22 . 1 1 144 144 ARG N N 144 121.294 121.294 120.412 0.882 19108 19696 1 22 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.885 0.541 19108 19697 1 22 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.412 -0.423 19108 19698 1 22 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.726 -1.617 19108 19699 1 22 . 1 1 144 144 ARG H H 144 7.968 7.968 7.761 0.207 19108 19700 1 22 . 1 1 145 145 ASP N N 145 122.553 122.553 118.260 4.293 19108 19701 1 22 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.487 -0.058 19108 19702 1 22 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.898 0.680 19108 19703 1 22 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.562 -0.972 19108 19704 1 22 . 1 1 145 145 ASP H H 145 8.868 8.868 7.960 0.908 19108 19705 1 22 . 1 1 146 146 ALA N N 146 120.102 120.102 119.000 1.102 19108 19706 1 22 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.505 -0.087 19108 19707 1 22 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.477 -0.443 19108 19708 1 22 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.194 -0.899 19108 19709 1 22 . 1 1 146 146 ALA H H 146 7.737 7.737 8.150 -0.413 19108 19710 1 22 . 1 1 147 147 GLY N N 147 105.039 105.039 106.770 -1.731 19108 19711 1 22 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.887 -0.023 19108 19712 1 22 . 1 1 147 147 GLY H H 147 7.966 7.966 7.990 -0.024 19108 19713 1 22 . 1 1 148 148 ALA N N 148 124.181 124.181 123.584 0.597 19108 19714 1 22 . 1 1 148 148 ALA HA H 148 4.689 4.689 3.982 0.707 19108 19715 1 22 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.725 -1.266 19108 19716 1 22 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.367 -0.888 19108 19717 1 22 . 1 1 148 148 ALA H H 148 8.051 8.051 7.915 0.136 19108 19718 1 22 . 1 1 149 149 GLN N N 149 122.185 122.185 119.778 2.407 19108 19719 1 22 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.466 -0.027 19108 19720 1 22 . 1 1 149 149 GLN CA C 149 54.955 54.955 55.145 -0.190 19108 19721 1 22 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.314 -0.892 19108 19722 1 22 . 1 1 149 149 GLN H H 149 7.953 7.953 7.947 0.006 19108 19723 1 22 . 1 1 150 150 VAL N N 150 127.399 127.399 125.828 1.571 19108 19724 1 22 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.612 0.140 19108 19725 1 22 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.923 0.516 19108 19726 1 22 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.054 0.124 19108 19727 1 22 . 1 1 150 150 VAL H H 150 8.658 8.658 8.605 0.053 19108 19728 1 22 . 1 1 151 151 SER N N 151 120.616 120.616 123.675 -3.059 19108 19729 1 22 . 1 1 151 151 SER HA H 151 5.179 5.179 4.904 0.275 19108 19730 1 22 . 1 1 151 151 SER CA C 151 56.981 56.981 56.866 0.115 19108 19731 1 22 . 1 1 151 151 SER CB C 151 66.538 66.538 66.320 0.218 19108 19732 1 22 . 1 1 151 151 SER H H 151 8.737 8.737 8.255 0.482 19108 19733 1 22 . 1 1 152 152 ILE N N 152 123.180 123.180 118.835 4.345 19108 19734 1 22 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.633 0.514 19108 19735 1 22 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.732 -4.214 19108 19736 1 22 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.694 -1.614 19108 19737 1 22 . 1 1 152 152 ILE H H 152 8.672 8.672 8.582 0.090 19108 19738 1 22 . 1 1 153 153 MET N N 153 123.477 123.477 128.798 -5.321 19108 19739 1 22 . 1 1 153 153 MET HA H 153 3.886 3.886 4.578 -0.692 19108 19740 1 22 . 1 1 153 153 MET CA C 153 59.053 59.053 56.928 2.125 19108 19741 1 22 . 1 1 153 153 MET CB C 153 34.793 34.793 33.176 1.617 19108 19742 1 22 . 1 1 153 153 MET H H 153 8.314 8.314 8.209 0.105 19108 19743 1 22 . 1 1 154 154 THR N N 154 117.621 117.621 113.362 4.259 19108 19744 1 22 . 1 1 154 154 THR HA H 154 4.951 4.951 4.855 0.096 19108 19745 1 22 . 1 1 154 154 THR CA C 154 60.436 60.436 59.360 1.076 19108 19746 1 22 . 1 1 154 154 THR CB C 154 72.370 72.370 71.941 0.429 19108 19747 1 22 . 1 1 154 154 THR H H 154 9.630 9.630 8.033 1.597 19108 19748 1 22 . 1 1 155 155 TYR N N 155 121.751 121.751 124.252 -2.501 19108 19749 1 22 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.126 -0.027 19108 19750 1 22 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.602 1.837 19108 19751 1 22 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.230 1.056 19108 19752 1 22 . 1 1 155 155 TYR H H 155 9.769 9.769 9.191 0.578 19108 19753 1 22 . 1 1 156 156 ASP N N 156 115.555 115.555 118.300 -2.745 19108 19754 1 22 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.215 -0.107 19108 19755 1 22 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.772 0.488 19108 19756 1 22 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.589 0.029 19108 19757 1 22 . 1 1 156 156 ASP H H 156 8.230 8.230 8.195 0.035 19108 19758 1 22 . 1 1 157 157 GLU N N 157 117.678 117.678 119.893 -2.215 19108 19759 1 22 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.947 -0.077 19108 19760 1 22 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.199 1.308 19108 19761 1 22 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.483 1.565 19108 19762 1 22 . 1 1 157 157 GLU H H 157 7.470 7.470 7.347 0.123 19108 19763 1 22 . 1 1 158 158 PHE N N 158 119.869 119.869 119.541 0.328 19108 19764 1 22 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.927 -0.098 19108 19765 1 22 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.596 1.180 19108 19766 1 22 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.249 1.657 19108 19767 1 22 . 1 1 158 158 PHE H H 158 8.077 8.077 8.410 -0.333 19108 19768 1 22 . 1 1 159 159 LYS N N 159 118.859 118.859 119.271 -0.412 19108 19769 1 22 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.573 0.344 19108 19770 1 22 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.914 -0.683 19108 19771 1 22 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.114 -0.151 19108 19772 1 22 . 1 1 159 159 LYS H H 159 8.273 8.273 7.528 0.745 19108 19773 1 22 . 1 1 160 160 HIS N N 160 115.889 115.889 119.151 -3.262 19108 19774 1 22 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.103 0.056 19108 19775 1 22 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.938 1.043 19108 19776 1 22 . 1 1 160 160 HIS CB C 160 27.930 27.930 28.966 -1.036 19108 19777 1 22 . 1 1 160 160 HIS H H 160 7.695 7.695 7.694 0.001 19108 19778 1 22 . 1 1 161 161 CYS N N 161 118.188 118.188 117.662 0.526 19108 19779 1 22 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.391 0.398 19108 19780 1 22 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.790 0.004 19108 19781 1 22 . 1 1 161 161 CYS CB C 161 27.886 27.886 27.070 0.816 19108 19782 1 22 . 1 1 161 161 CYS H H 161 7.885 7.885 7.410 0.475 19108 19783 1 22 . 1 1 162 162 TRP N N 162 122.741 122.741 122.197 0.544 19108 19784 1 22 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.295 0.469 19108 19785 1 22 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.884 -0.167 19108 19786 1 22 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.601 -0.008 19108 19787 1 22 . 1 1 162 162 TRP H H 162 8.040 8.040 8.377 -0.337 19108 19788 1 22 . 1 1 163 163 ASP N N 163 113.796 113.796 117.331 -3.535 19108 19789 1 22 . 1 1 163 163 ASP HA H 163 4.126 4.126 4.093 0.033 19108 19790 1 22 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.577 0.352 19108 19791 1 22 . 1 1 163 163 ASP CB C 163 40.535 40.535 41.348 -0.813 19108 19792 1 22 . 1 1 163 163 ASP H H 163 8.319 8.319 8.025 0.294 19108 19793 1 22 . 1 1 164 164 THR N N 164 112.008 112.008 116.000 -3.992 19108 19794 1 22 . 1 1 164 164 THR HA H 164 3.803 3.803 3.987 -0.184 19108 19795 1 22 . 1 1 164 164 THR CA C 164 65.164 65.164 64.905 0.259 19108 19796 1 22 . 1 1 164 164 THR CB C 164 70.171 70.171 68.845 1.326 19108 19797 1 22 . 1 1 164 164 THR H H 164 7.494 7.494 7.570 -0.076 19108 19798 1 22 . 1 1 165 165 PHE N N 165 115.079 115.079 121.219 -6.140 19108 19799 1 22 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.179 0.356 19108 19800 1 22 . 1 1 165 165 PHE CA C 165 57.969 57.969 59.586 -1.617 19108 19801 1 22 . 1 1 165 165 PHE CB C 165 40.368 40.368 38.342 2.026 19108 19802 1 22 . 1 1 165 165 PHE H H 165 8.235 8.235 8.041 0.194 19108 19803 1 22 . 1 1 166 166 VAL N N 166 118.432 118.432 118.600 -0.168 19108 19804 1 22 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.209 -0.184 19108 19805 1 22 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.794 0.207 19108 19806 1 22 . 1 1 166 166 VAL CB C 166 31.355 31.355 36.186 -4.831 19108 19807 1 22 . 1 1 166 166 VAL H H 166 6.838 6.838 7.123 -0.285 19108 19808 1 22 . 1 1 167 167 ASP N N 167 126.263 126.263 127.926 -1.663 19108 19809 1 22 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.578 -0.730 19108 19810 1 22 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.085 -2.455 19108 19811 1 22 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.859 -0.779 19108 19812 1 22 . 1 1 167 167 ASP H H 167 8.498 8.498 8.721 -0.223 19108 19813 1 22 . 1 1 168 168 HIS N N 168 119.890 119.890 117.328 2.562 19108 19814 1 22 . 1 1 168 168 HIS HA H 168 4.346 4.346 3.971 0.375 19108 19815 1 22 . 1 1 168 168 HIS CA C 168 56.575 56.575 56.949 -0.374 19108 19816 1 22 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.422 3.040 19108 19817 1 22 . 1 1 168 168 HIS H H 168 6.977 6.977 8.347 -1.370 19108 19818 1 22 . 1 1 169 169 GLN N N 169 119.254 119.254 115.335 3.919 19108 19819 1 22 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.908 -0.185 19108 19820 1 22 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.472 0.298 19108 19821 1 22 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.559 -0.038 19108 19822 1 22 . 1 1 169 169 GLN H H 169 9.126 9.126 8.700 0.426 19108 19823 1 22 . 1 1 170 170 GLY N N 170 111.911 111.911 101.566 10.345 19108 19824 1 22 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.101 0.723 19108 19825 1 22 . 1 1 170 170 GLY H H 170 11.556 11.556 6.192 5.364 19108 19826 1 22 . 1 1 171 171 CYS N N 171 123.390 123.390 120.531 2.859 19108 19827 1 22 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.931 -0.215 19108 19828 1 22 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.660 2.125 19108 19829 1 22 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.146 -1.242 19108 19830 1 22 . 1 1 171 171 CYS H H 171 8.044 8.044 7.193 0.851 19108 19831 1 22 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.572 0.045 19108 19832 1 22 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.434 -1.576 19108 19833 1 22 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.375 0.154 19108 19834 1 22 . 1 1 173 173 PHE N N 173 121.101 121.101 120.571 0.530 19108 19835 1 22 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.972 -0.316 19108 19836 1 22 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.042 -1.501 19108 19837 1 22 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.390 -0.644 19108 19838 1 22 . 1 1 173 173 PHE H H 173 8.842 8.842 8.241 0.601 19108 19839 1 22 . 1 1 174 174 GLN N N 174 129.493 129.493 124.210 5.283 19108 19840 1 22 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.274 0.043 19108 19841 1 22 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.113 -1.318 19108 19842 1 22 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.348 -0.251 19108 19843 1 22 . 1 1 174 174 GLN H H 174 7.250 7.250 6.650 0.600 19108 19844 1 22 . 1 1 175 175 PRO HA H 175 2.914 2.914 4.096 -1.182 19108 19845 1 22 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.474 -0.051 19108 19846 1 22 . 1 1 176 176 TRP N N 176 118.133 118.133 124.950 -6.817 19108 19847 1 22 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.832 -0.199 19108 19848 1 22 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.325 0.836 19108 19849 1 22 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.707 -0.818 19108 19850 1 22 . 1 1 176 176 TRP H H 176 5.591 5.591 7.252 -1.661 19108 19851 1 22 . 1 1 177 177 ASP N N 177 121.814 121.814 122.128 -0.314 19108 19852 1 22 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.541 -0.144 19108 19853 1 22 . 1 1 177 177 ASP CA C 177 56.172 56.172 56.300 -0.128 19108 19854 1 22 . 1 1 177 177 ASP CB C 177 40.675 40.675 41.260 -0.585 19108 19855 1 22 . 1 1 177 177 ASP H H 177 8.848 8.848 8.596 0.252 19108 19856 1 22 . 1 1 178 178 GLY N N 178 111.875 111.875 112.316 -0.441 19108 19857 1 22 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.107 0.559 19108 19858 1 22 . 1 1 178 178 GLY H H 178 8.987 8.987 8.418 0.569 19108 19859 1 22 . 1 1 179 179 LEU N N 179 121.470 121.470 122.641 -1.171 19108 19860 1 22 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.014 0.474 19108 19861 1 22 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.300 2.482 19108 19862 1 22 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.649 0.580 19108 19863 1 22 . 1 1 179 179 LEU H H 179 7.148 7.148 7.567 -0.419 19108 19864 1 22 . 1 1 180 180 ASP N N 180 119.476 119.476 119.807 -0.331 19108 19865 1 22 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.324 0.168 19108 19866 1 22 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.178 -0.239 19108 19867 1 22 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.235 0.478 19108 19868 1 22 . 1 1 180 180 ASP H H 180 8.874 8.874 8.542 0.332 19108 19869 1 22 . 1 1 181 181 GLU N N 181 122.379 122.379 120.208 2.171 19108 19870 1 22 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.942 0.070 19108 19871 1 22 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.428 0.541 19108 19872 1 22 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.509 -0.584 19108 19873 1 22 . 1 1 181 181 GLU H H 181 8.712 8.712 8.455 0.257 19108 19874 1 22 . 1 1 182 182 HIS N N 182 118.572 118.572 117.848 0.724 19108 19875 1 22 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.346 0.408 19108 19876 1 22 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.273 -0.244 19108 19877 1 22 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.635 -0.787 19108 19878 1 22 . 1 1 182 182 HIS H H 182 8.854 8.854 8.461 0.393 19108 19879 1 22 . 1 1 183 183 SER N N 183 116.329 116.329 115.111 1.218 19108 19880 1 22 . 1 1 183 183 SER HA H 183 4.554 4.554 4.145 0.409 19108 19881 1 22 . 1 1 183 183 SER CA C 183 63.604 63.604 61.969 1.635 19108 19882 1 22 . 1 1 183 183 SER CB C 183 65.216 65.216 62.427 2.789 19108 19883 1 22 . 1 1 183 183 SER H H 183 8.665 8.665 8.473 0.192 19108 19884 1 22 . 1 1 184 184 GLN N N 184 122.215 122.215 120.884 1.331 19108 19885 1 22 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.105 0.142 19108 19886 1 22 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.360 0.600 19108 19887 1 22 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.802 0.133 19108 19888 1 22 . 1 1 184 184 GLN H H 184 8.714 8.714 7.765 0.949 19108 19889 1 22 . 1 1 185 185 ALA N N 185 124.432 124.432 123.615 0.817 19108 19890 1 22 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.107 0.177 19108 19891 1 22 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.194 0.275 19108 19892 1 22 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.177 0.197 19108 19893 1 22 . 1 1 185 185 ALA H H 185 8.258 8.258 8.321 -0.063 19108 19894 1 22 . 1 1 186 186 LEU N N 186 119.941 119.941 118.856 1.085 19108 19895 1 22 . 1 1 186 186 LEU HA H 186 4.212 4.212 4.000 0.212 19108 19896 1 22 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.931 0.285 19108 19897 1 22 . 1 1 186 186 LEU CB C 186 42.764 42.764 40.604 2.160 19108 19898 1 22 . 1 1 186 186 LEU H H 186 8.953 8.953 8.024 0.929 19108 19899 1 22 . 1 1 187 187 SER N N 187 116.987 116.987 113.128 3.859 19108 19900 1 22 . 1 1 187 187 SER HA H 187 4.039 4.039 4.205 -0.166 19108 19901 1 22 . 1 1 187 187 SER CA C 187 63.302 63.302 61.646 1.656 19108 19902 1 22 . 1 1 187 187 SER CB C 187 62.760 62.760 62.952 -0.192 19108 19903 1 22 . 1 1 187 187 SER H H 187 8.935 8.935 7.954 0.981 19108 19904 1 22 . 1 1 188 188 GLY N N 188 110.215 110.215 108.439 1.776 19108 19905 1 22 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.578 0.577 19108 19906 1 22 . 1 1 188 188 GLY H H 188 8.228 8.228 7.659 0.569 19108 19907 1 22 . 1 1 189 189 ARG N N 189 122.994 122.994 122.078 0.916 19108 19908 1 22 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.112 0.125 19108 19909 1 22 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.099 0.460 19108 19910 1 22 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.253 0.142 19108 19911 1 22 . 1 1 189 189 ARG H H 189 7.838 7.838 7.526 0.312 19108 19912 1 22 . 1 1 190 190 LEU N N 190 119.765 119.765 120.582 -0.817 19108 19913 1 22 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.040 0.198 19108 19914 1 22 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.428 -0.209 19108 19915 1 22 . 1 1 190 190 LEU CB C 190 41.242 41.242 42.030 -0.788 19108 19916 1 22 . 1 1 190 190 LEU H H 190 8.791 8.791 7.850 0.941 19108 19917 1 22 . 1 1 191 191 ARG N N 191 118.427 118.427 119.209 -0.782 19108 19918 1 22 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.927 0.116 19108 19919 1 22 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.444 0.338 19108 19920 1 22 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.021 0.170 19108 19921 1 22 . 1 1 191 191 ARG H H 191 8.305 8.305 8.238 0.067 19108 19922 1 22 . 1 1 192 192 ALA N N 192 119.414 119.414 122.078 -2.664 19108 19923 1 22 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.005 0.212 19108 19924 1 22 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.954 -0.238 19108 19925 1 22 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.355 -0.190 19108 19926 1 22 . 1 1 192 192 ALA H H 192 7.414 7.414 7.443 -0.029 19108 19927 1 22 . 1 1 193 193 ILE N N 193 118.949 118.949 118.357 0.592 19108 19928 1 22 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.734 0.036 19108 19929 1 22 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.095 0.743 19108 19930 1 22 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.844 1.602 19108 19931 1 22 . 1 1 193 193 ILE H H 193 7.896 7.896 7.488 0.408 19108 19932 1 22 . 1 1 194 194 LEU N N 194 116.435 116.435 116.597 -0.162 19108 19933 1 22 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.047 0.226 19108 19934 1 22 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.816 -1.103 19108 19935 1 22 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.262 -1.791 19108 19936 1 22 . 1 1 194 194 LEU H H 194 8.296 8.296 7.547 0.749 19108 19937 1 22 . 1 1 195 195 GLN N N 195 118.580 118.580 117.105 1.475 19108 19938 1 22 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.504 -0.169 19108 19939 1 22 . 1 1 195 195 GLN CA C 195 56.417 56.417 54.604 1.813 19108 19940 1 22 . 1 1 195 195 GLN CB C 195 28.598 28.598 28.899 -0.301 19108 19941 1 22 . 1 1 195 195 GLN H H 195 7.921 7.921 7.567 0.354 19108 19942 1 22 . 1 1 196 196 ASN N N 196 118.941 118.941 120.121 -1.180 19108 19943 1 22 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.801 -0.099 19108 19944 1 22 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.732 0.718 19108 19945 1 22 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.465 -0.640 19108 19946 1 22 . 1 1 196 196 ASN H H 196 8.078 8.078 8.428 -0.350 19108 19947 1 22 . 1 1 197 197 GLN N N 197 120.984 120.984 115.525 5.459 19108 19948 1 22 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.063 0.293 19108 19949 1 22 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.976 -0.810 19108 19950 1 22 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.323 1.173 19108 19951 1 22 . 1 1 197 197 GLN H H 197 8.526 8.526 8.741 -0.215 19108 19952 1 22 . 1 1 198 198 GLY N N 198 109.565 109.565 107.940 1.625 19108 19953 1 22 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.548 0.836 19108 19954 1 22 . 1 1 198 198 GLY H H 198 8.467 8.467 8.298 0.169 19108 19955 1 23 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.446 -0.072 19108 19956 1 23 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.390 -0.042 19108 19957 1 23 . 1 1 2 2 GLU CB C 2 30.453 30.453 28.930 1.523 19108 19958 1 23 . 1 1 3 3 ALA N N 3 125.932 125.932 127.046 -1.114 19108 19959 1 23 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.321 0.029 19108 19960 1 23 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.074 0.333 19108 19961 1 23 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.969 0.611 19108 19962 1 23 . 1 1 3 3 ALA H H 3 8.526 8.526 8.151 0.375 19108 19963 1 23 . 1 1 4 4 SER N N 4 116.729 116.729 114.116 2.613 19108 19964 1 23 . 1 1 4 4 SER HA H 4 4.766 4.766 4.425 0.341 19108 19965 1 23 . 1 1 4 4 SER CA C 4 56.283 56.283 58.070 -1.787 19108 19966 1 23 . 1 1 4 4 SER CB C 4 63.278 63.278 62.842 0.436 19108 19967 1 23 . 1 1 4 4 SER H H 4 8.397 8.397 8.009 0.388 19108 19968 1 23 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.480 -0.034 19108 19969 1 23 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.434 0.871 19108 19970 1 23 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.704 -0.607 19108 19971 1 23 . 1 1 6 6 ALA N N 6 124.236 124.236 124.497 -0.261 19108 19972 1 23 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.615 -0.282 19108 19973 1 23 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.541 1.022 19108 19974 1 23 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.106 -0.772 19108 19975 1 23 . 1 1 6 6 ALA H H 6 8.411 8.411 8.337 0.074 19108 19976 1 23 . 1 1 7 7 SER N N 7 114.497 114.497 113.859 0.638 19108 19977 1 23 . 1 1 7 7 SER HA H 7 4.475 4.475 4.570 -0.095 19108 19978 1 23 . 1 1 7 7 SER CA C 7 58.258 58.258 57.296 0.962 19108 19979 1 23 . 1 1 7 7 SER CB C 7 64.174 64.174 64.903 -0.729 19108 19980 1 23 . 1 1 7 7 SER H H 7 8.195 8.195 8.132 0.063 19108 19981 1 23 . 1 1 8 8 GLY N N 8 110.497 110.497 109.163 1.334 19108 19982 1 23 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.249 -0.403 19108 19983 1 23 . 1 1 8 8 GLY H H 8 8.226 8.226 8.459 -0.233 19108 19984 1 23 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.306 0.143 19108 19985 1 23 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.288 0.146 19108 19986 1 23 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.937 0.256 19108 19987 1 23 . 1 1 10 10 ARG N N 10 120.534 120.534 127.202 -6.668 19108 19988 1 23 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.386 -0.045 19108 19989 1 23 . 1 1 10 10 ARG CA C 10 56.016 56.016 56.200 -0.184 19108 19990 1 23 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.901 -0.092 19108 19991 1 23 . 1 1 10 10 ARG H H 10 8.469 8.469 8.243 0.226 19108 19992 1 23 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.267 0.558 19108 19993 1 23 . 1 1 11 11 HIS CA C 11 55.461 55.461 56.476 -1.015 19108 19994 1 23 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.181 0.010 19108 19995 1 23 . 1 1 12 12 LEU N N 12 122.284 122.284 122.574 -0.290 19108 19996 1 23 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.889 0.720 19108 19997 1 23 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.266 1.764 19108 19998 1 23 . 1 1 12 12 LEU H H 12 8.250 8.250 8.183 0.067 19108 19999 1 23 . 1 1 13 13 MET N N 13 121.493 121.493 117.871 3.622 19108 20000 1 23 . 1 1 13 13 MET HA H 13 4.038 4.038 4.731 -0.693 19108 20001 1 23 . 1 1 13 13 MET CA C 13 54.449 54.449 55.004 -0.555 19108 20002 1 23 . 1 1 13 13 MET CB C 13 35.015 35.015 34.084 0.931 19108 20003 1 23 . 1 1 13 13 MET H H 13 8.955 8.955 7.783 1.172 19108 20004 1 23 . 1 1 14 14 ASP N N 14 127.113 127.113 120.712 6.401 19108 20005 1 23 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.801 -0.701 19108 20006 1 23 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.033 -1.577 19108 20007 1 23 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.114 1.396 19108 20008 1 23 . 1 1 14 14 ASP H H 14 8.514 8.514 8.600 -0.086 19108 20009 1 23 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.185 -0.332 19108 20010 1 23 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.616 0.038 19108 20011 1 23 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.926 -0.275 19108 20012 1 23 . 1 1 16 16 HIS N N 16 115.776 115.776 117.350 -1.574 19108 20013 1 23 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.426 -0.148 19108 20014 1 23 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.353 -0.435 19108 20015 1 23 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.438 -0.230 19108 20016 1 23 . 1 1 16 16 HIS H H 16 8.591 8.591 8.711 -0.120 19108 20017 1 23 . 1 1 17 17 ILE N N 17 122.675 122.675 119.379 3.296 19108 20018 1 23 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.079 0.405 19108 20019 1 23 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.357 -1.131 19108 20020 1 23 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.193 -0.096 19108 20021 1 23 . 1 1 17 17 ILE H H 17 7.558 7.558 7.846 -0.288 19108 20022 1 23 . 1 1 18 18 PHE N N 18 120.513 120.513 121.589 -1.076 19108 20023 1 23 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.365 -0.362 19108 20024 1 23 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.602 1.202 19108 20025 1 23 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.683 -0.043 19108 20026 1 23 . 1 1 18 18 PHE H H 18 7.831 7.831 8.051 -0.220 19108 20027 1 23 . 1 1 19 19 THR N N 19 114.555 114.555 116.128 -1.573 19108 20028 1 23 . 1 1 19 19 THR HA H 19 3.657 3.657 4.320 -0.663 19108 20029 1 23 . 1 1 19 19 THR CA C 19 66.485 66.485 66.821 -0.336 19108 20030 1 23 . 1 1 19 19 THR CB C 19 68.345 68.345 68.871 -0.526 19108 20031 1 23 . 1 1 19 19 THR H H 19 9.036 9.036 8.797 0.239 19108 20032 1 23 . 1 1 20 20 SER N N 20 113.030 113.030 117.212 -4.182 19108 20033 1 23 . 1 1 20 20 SER HA H 20 4.062 4.062 4.222 -0.160 19108 20034 1 23 . 1 1 20 20 SER CA C 20 60.610 60.610 61.068 -0.458 19108 20035 1 23 . 1 1 20 20 SER CB C 20 63.843 63.843 63.037 0.806 19108 20036 1 23 . 1 1 20 20 SER H H 20 7.809 7.809 8.651 -0.842 19108 20037 1 23 . 1 1 21 21 ASN N N 21 115.629 115.629 120.123 -4.494 19108 20038 1 23 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.215 0.196 19108 20039 1 23 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.172 1.817 19108 20040 1 23 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.915 3.665 19108 20041 1 23 . 1 1 21 21 ASN H H 21 7.362 7.362 7.543 -0.181 19108 20042 1 23 . 1 1 22 22 PHE N N 22 117.773 117.773 113.260 4.513 19108 20043 1 23 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.601 -0.328 19108 20044 1 23 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.835 -0.375 19108 20045 1 23 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.320 -1.490 19108 20046 1 23 . 1 1 22 22 PHE H H 22 8.296 8.296 7.706 0.590 19108 20047 1 23 . 1 1 23 23 ASN N N 23 115.026 115.026 120.227 -5.201 19108 20048 1 23 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.610 -0.081 19108 20049 1 23 . 1 1 23 23 ASN CA C 23 53.642 53.642 54.298 -0.656 19108 20050 1 23 . 1 1 23 23 ASN CB C 23 36.623 36.623 39.399 -2.776 19108 20051 1 23 . 1 1 23 23 ASN H H 23 6.097 6.097 7.762 -1.665 19108 20052 1 23 . 1 1 24 24 ASN N N 24 122.900 122.900 116.337 6.563 19108 20053 1 23 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.468 -0.035 19108 20054 1 23 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.367 -1.094 19108 20055 1 23 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.232 -0.340 19108 20056 1 23 . 1 1 24 24 ASN H H 24 7.083 7.083 8.045 -0.962 19108 20057 1 23 . 1 1 25 25 GLY N N 25 105.587 105.587 110.433 -4.846 19108 20058 1 23 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.668 -0.803 19108 20059 1 23 . 1 1 25 25 GLY H H 25 8.520 8.520 8.569 -0.049 19108 20060 1 23 . 1 1 26 26 ILE N N 26 120.182 120.182 118.583 1.599 19108 20061 1 23 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.276 -0.102 19108 20062 1 23 . 1 1 26 26 ILE CA C 26 60.443 60.443 57.449 2.994 19108 20063 1 23 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.996 1.519 19108 20064 1 23 . 1 1 26 26 ILE H H 26 6.944 6.944 7.677 -0.733 19108 20065 1 23 . 1 1 27 27 GLY N N 27 111.665 111.665 105.252 6.413 19108 20066 1 23 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.300 0.019 19108 20067 1 23 . 1 1 27 27 GLY H H 27 8.457 8.457 8.354 0.103 19108 20068 1 23 . 1 1 28 28 ARG N N 28 117.565 117.565 118.759 -1.194 19108 20069 1 23 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.752 -1.187 19108 20070 1 23 . 1 1 28 28 ARG H H 28 6.741 6.741 7.732 -0.991 19108 20071 1 23 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.001 2.002 19108 20072 1 23 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.772 0.272 19108 20073 1 23 . 1 1 29 29 HIS H H 29 8.636 8.636 8.704 -0.068 19108 20074 1 23 . 1 1 30 30 LYS N N 30 119.344 119.344 123.578 -4.234 19108 20075 1 23 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.282 0.139 19108 20076 1 23 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.284 0.580 19108 20077 1 23 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.705 1.486 19108 20078 1 23 . 1 1 30 30 LYS H H 30 7.870 7.870 7.662 0.208 19108 20079 1 23 . 1 1 31 31 THR N N 31 118.233 118.233 113.390 4.843 19108 20080 1 23 . 1 1 31 31 THR HA H 31 4.125 4.125 3.668 0.457 19108 20081 1 23 . 1 1 31 31 THR CA C 31 63.175 63.175 62.843 0.332 19108 20082 1 23 . 1 1 31 31 THR H H 31 8.436 8.436 7.264 1.172 19108 20083 1 23 . 1 1 32 32 TYR N N 32 124.026 124.026 120.799 3.227 19108 20084 1 23 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.052 -0.116 19108 20085 1 23 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.210 0.291 19108 20086 1 23 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.644 1.760 19108 20087 1 23 . 1 1 32 32 TYR H H 32 8.244 8.244 8.133 0.111 19108 20088 1 23 . 1 1 33 33 LEU N N 33 125.428 125.428 124.765 0.663 19108 20089 1 23 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.331 -0.252 19108 20090 1 23 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.538 1.300 19108 20091 1 23 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.695 1.289 19108 20092 1 23 . 1 1 33 33 LEU H H 33 9.232 9.232 8.200 1.032 19108 20093 1 23 . 1 1 34 34 CYS N N 34 125.975 125.975 125.336 0.639 19108 20094 1 23 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.106 -0.100 19108 20095 1 23 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.761 0.384 19108 20096 1 23 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.987 0.315 19108 20097 1 23 . 1 1 34 34 CYS H H 34 9.640 9.640 8.806 0.834 19108 20098 1 23 . 1 1 35 35 TYR N N 35 121.183 121.183 123.449 -2.266 19108 20099 1 23 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.215 1.273 19108 20100 1 23 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.277 -0.495 19108 20101 1 23 . 1 1 35 35 TYR CB C 35 43.090 43.090 39.265 3.825 19108 20102 1 23 . 1 1 35 35 TYR H H 35 9.094 9.094 8.622 0.472 19108 20103 1 23 . 1 1 36 36 GLU N N 36 115.538 115.538 123.614 -8.076 19108 20104 1 23 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.893 0.542 19108 20105 1 23 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.869 0.522 19108 20106 1 23 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.419 0.125 19108 20107 1 23 . 1 1 36 36 GLU H H 36 8.977 8.977 8.604 0.373 19108 20108 1 23 . 1 1 37 37 VAL N N 37 121.600 121.600 126.109 -4.509 19108 20109 1 23 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.472 0.687 19108 20110 1 23 . 1 1 37 37 VAL CA C 37 62.048 62.048 62.233 -0.184 19108 20111 1 23 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.194 1.875 19108 20112 1 23 . 1 1 37 37 VAL H H 37 9.271 9.271 8.867 0.404 19108 20113 1 23 . 1 1 38 38 GLU N N 38 125.227 125.227 127.007 -1.780 19108 20114 1 23 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.104 0.114 19108 20115 1 23 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.265 -1.013 19108 20116 1 23 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.542 1.385 19108 20117 1 23 . 1 1 38 38 GLU H H 38 9.114 9.114 8.733 0.381 19108 20118 1 23 . 1 1 39 39 ARG N N 39 124.872 124.872 124.770 0.102 19108 20119 1 23 . 1 1 39 39 ARG HA H 39 5.365 5.365 3.842 1.523 19108 20120 1 23 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.380 -0.133 19108 20121 1 23 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.064 0.501 19108 20122 1 23 . 1 1 39 39 ARG H H 39 9.215 9.215 8.301 0.914 19108 20123 1 23 . 1 1 40 40 LEU N N 40 126.510 126.510 125.357 1.153 19108 20124 1 23 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.749 0.004 19108 20125 1 23 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.516 -0.193 19108 20126 1 23 . 1 1 40 40 LEU CB C 40 40.843 40.843 44.424 -3.581 19108 20127 1 23 . 1 1 40 40 LEU H H 40 8.659 8.659 7.696 0.963 19108 20128 1 23 . 1 1 41 41 ASP N N 41 124.410 124.410 124.598 -0.188 19108 20129 1 23 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.833 -0.040 19108 20130 1 23 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.681 -0.463 19108 20131 1 23 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.385 -0.652 19108 20132 1 23 . 1 1 41 41 ASP H H 41 8.575 8.575 8.851 -0.276 19108 20133 1 23 . 1 1 42 42 ASN N N 42 123.319 123.319 121.599 1.720 19108 20134 1 23 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.384 0.036 19108 20135 1 23 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.753 0.420 19108 20136 1 23 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.436 0.411 19108 20137 1 23 . 1 1 42 42 ASN H H 42 9.048 9.048 8.850 0.198 19108 20138 1 23 . 1 1 43 43 GLY N N 43 106.044 106.044 103.858 2.186 19108 20139 1 23 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.326 0.068 19108 20140 1 23 . 1 1 43 43 GLY H H 43 8.548 8.548 8.329 0.218 19108 20141 1 23 . 1 1 44 44 THR N N 44 115.893 115.893 120.406 -4.513 19108 20142 1 23 . 1 1 44 44 THR HA H 44 4.524 4.524 4.203 0.321 19108 20143 1 23 . 1 1 44 44 THR CA C 44 61.285 61.285 63.294 -2.009 19108 20144 1 23 . 1 1 44 44 THR CB C 44 70.572 70.572 68.965 1.607 19108 20145 1 23 . 1 1 44 44 THR H H 44 7.833 7.833 7.904 -0.071 19108 20146 1 23 . 1 1 45 45 SER N N 45 119.589 119.589 122.714 -3.125 19108 20147 1 23 . 1 1 45 45 SER HA H 45 4.804 4.804 4.843 -0.039 19108 20148 1 23 . 1 1 45 45 SER CA C 45 58.080 58.080 57.064 1.016 19108 20149 1 23 . 1 1 45 45 SER CB C 45 64.265 64.265 63.907 0.358 19108 20150 1 23 . 1 1 45 45 SER H H 45 8.590 8.590 8.628 -0.038 19108 20151 1 23 . 1 1 46 46 VAL N N 46 125.827 125.827 127.293 -1.466 19108 20152 1 23 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.328 -0.035 19108 20153 1 23 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.550 0.293 19108 20154 1 23 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.529 -0.012 19108 20155 1 23 . 1 1 46 46 VAL H H 46 9.034 9.034 8.577 0.457 19108 20156 1 23 . 1 1 47 47 LYS N N 47 126.528 126.528 125.678 0.850 19108 20157 1 23 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.469 -0.184 19108 20158 1 23 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.141 2.525 19108 20159 1 23 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.304 -0.512 19108 20160 1 23 . 1 1 47 47 LYS H H 47 8.738 8.738 8.439 0.299 19108 20161 1 23 . 1 1 48 48 MET N N 48 122.645 122.645 121.901 0.744 19108 20162 1 23 . 1 1 48 48 MET HA H 48 5.195 5.195 4.682 0.513 19108 20163 1 23 . 1 1 48 48 MET CA C 48 54.747 54.747 55.207 -0.460 19108 20164 1 23 . 1 1 48 48 MET CB C 48 32.379 32.379 34.232 -1.853 19108 20165 1 23 . 1 1 48 48 MET H H 48 8.334 8.334 8.195 0.139 19108 20166 1 23 . 1 1 49 49 ASP N N 49 123.713 123.713 119.744 3.969 19108 20167 1 23 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.563 -0.139 19108 20168 1 23 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.596 1.014 19108 20169 1 23 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.885 0.149 19108 20170 1 23 . 1 1 49 49 ASP H H 49 8.575 8.575 8.873 -0.298 19108 20171 1 23 . 1 1 50 50 GLN N N 50 117.540 117.540 117.878 -0.338 19108 20172 1 23 . 1 1 50 50 GLN H H 50 9.110 9.110 8.308 0.802 19108 20173 1 23 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.797 0.354 19108 20174 1 23 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.376 -1.542 19108 20175 1 23 . 1 1 51 51 HIS H H 51 8.031 8.031 7.914 0.117 19108 20176 1 23 . 1 1 52 52 ARG N N 52 117.888 117.888 118.189 -0.301 19108 20177 1 23 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.525 0.712 19108 20178 1 23 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.280 0.775 19108 20179 1 23 . 1 1 52 52 ARG CB C 52 33.054 33.054 33.016 0.038 19108 20180 1 23 . 1 1 52 52 ARG H H 52 7.685 7.685 7.423 0.262 19108 20181 1 23 . 1 1 53 53 GLY N N 53 108.573 108.573 105.918 2.655 19108 20182 1 23 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.294 0.414 19108 20183 1 23 . 1 1 53 53 GLY H H 53 7.529 7.529 7.142 0.387 19108 20184 1 23 . 1 1 54 54 PHE N N 54 113.146 113.146 115.736 -2.590 19108 20185 1 23 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.569 0.426 19108 20186 1 23 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.457 -0.601 19108 20187 1 23 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.124 2.239 19108 20188 1 23 . 1 1 54 54 PHE H H 54 8.287 8.287 7.846 0.441 19108 20189 1 23 . 1 1 55 55 LEU N N 55 119.389 119.389 119.069 0.320 19108 20190 1 23 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.210 0.485 19108 20191 1 23 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.385 0.327 19108 20192 1 23 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.603 0.025 19108 20193 1 23 . 1 1 55 55 LEU H H 55 9.452 9.452 8.664 0.788 19108 20194 1 23 . 1 1 56 56 HIS N N 56 114.176 114.176 114.317 -0.141 19108 20195 1 23 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.977 0.462 19108 20196 1 23 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.389 0.076 19108 20197 1 23 . 1 1 56 56 HIS CB C 56 31.467 31.467 30.731 0.736 19108 20198 1 23 . 1 1 56 56 HIS H H 56 7.709 7.709 7.539 0.170 19108 20199 1 23 . 1 1 57 57 ASN N N 57 116.522 116.522 119.469 -2.947 19108 20200 1 23 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.390 0.025 19108 20201 1 23 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.693 -0.509 19108 20202 1 23 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.027 -0.365 19108 20203 1 23 . 1 1 57 57 ASN H H 57 8.684 8.684 8.264 0.420 19108 20204 1 23 . 1 1 58 58 GLN N N 58 122.850 122.850 120.444 2.406 19108 20205 1 23 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.403 -0.014 19108 20206 1 23 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.923 -1.070 19108 20207 1 23 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.881 1.501 19108 20208 1 23 . 1 1 58 58 GLN H H 58 9.099 9.099 7.824 1.275 19108 20209 1 23 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.535 -0.235 19108 20210 1 23 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.501 1.004 19108 20211 1 23 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.719 -0.298 19108 20212 1 23 . 1 1 60 60 LYS N N 60 119.998 119.998 120.686 -0.688 19108 20213 1 23 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.440 -0.664 19108 20214 1 23 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.934 -0.633 19108 20215 1 23 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.566 0.251 19108 20216 1 23 . 1 1 60 60 LYS H H 60 8.344 8.344 8.418 -0.074 19108 20217 1 23 . 1 1 61 61 ASN N N 61 119.688 119.688 123.485 -3.797 19108 20218 1 23 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.815 -0.360 19108 20219 1 23 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.602 -0.698 19108 20220 1 23 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.797 -1.260 19108 20221 1 23 . 1 1 61 61 ASN H H 61 8.643 8.643 8.870 -0.227 19108 20222 1 23 . 1 1 62 62 LEU N N 62 124.761 124.761 124.018 0.743 19108 20223 1 23 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.453 -0.519 19108 20224 1 23 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.257 0.988 19108 20225 1 23 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.715 -0.772 19108 20226 1 23 . 1 1 62 62 LEU H H 62 8.873 8.873 8.788 0.085 19108 20227 1 23 . 1 1 63 63 LEU N N 63 120.312 120.312 120.931 -0.619 19108 20228 1 23 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.077 0.122 19108 20229 1 23 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.776 -0.699 19108 20230 1 23 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.723 -0.466 19108 20231 1 23 . 1 1 63 63 LEU H H 63 8.145 8.145 8.169 -0.024 19108 20232 1 23 . 1 1 64 64 CYS N N 64 113.898 113.898 117.769 -3.871 19108 20233 1 23 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.495 -0.324 19108 20234 1 23 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.417 -0.633 19108 20235 1 23 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.473 0.245 19108 20236 1 23 . 1 1 64 64 CYS H H 64 7.376 7.376 8.096 -0.720 19108 20237 1 23 . 1 1 65 65 GLY N N 65 108.894 108.894 109.554 -0.660 19108 20238 1 23 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.926 1.057 19108 20239 1 23 . 1 1 65 65 GLY H H 65 7.789 7.789 7.507 0.282 19108 20240 1 23 . 1 1 66 66 PHE N N 66 118.711 118.711 118.567 0.144 19108 20241 1 23 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.080 -0.163 19108 20242 1 23 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.738 -2.798 19108 20243 1 23 . 1 1 66 66 PHE CB C 66 40.268 40.268 37.957 2.311 19108 20244 1 23 . 1 1 66 66 PHE H H 66 7.699 7.699 8.150 -0.451 19108 20245 1 23 . 1 1 67 67 TYR N N 67 124.623 124.623 126.032 -1.409 19108 20246 1 23 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.353 -0.053 19108 20247 1 23 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.917 1.847 19108 20248 1 23 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.937 -1.784 19108 20249 1 23 . 1 1 67 67 TYR H H 67 8.568 8.568 8.291 0.277 19108 20250 1 23 . 1 1 69 69 ARG N N 69 121.427 121.427 123.232 -1.805 19108 20251 1 23 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.461 2.596 19108 20252 1 23 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.028 -0.732 19108 20253 1 23 . 1 1 69 69 ARG H H 69 8.313 8.313 7.589 0.724 19108 20254 1 23 . 1 1 70 70 HIS N N 70 128.351 128.351 123.168 5.183 19108 20255 1 23 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.505 0.277 19108 20256 1 23 . 1 1 70 70 HIS CA C 70 56.716 56.716 57.453 -0.737 19108 20257 1 23 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.049 0.727 19108 20258 1 23 . 1 1 70 70 HIS H H 70 9.182 9.182 9.001 0.181 19108 20259 1 23 . 1 1 71 71 ALA N N 71 125.649 125.649 129.616 -3.967 19108 20260 1 23 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.922 -0.565 19108 20261 1 23 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.884 0.898 19108 20262 1 23 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.751 -0.741 19108 20263 1 23 . 1 1 71 71 ALA H H 71 8.968 8.968 9.474 -0.506 19108 20264 1 23 . 1 1 72 72 GLU N N 72 119.941 119.941 119.271 0.670 19108 20265 1 23 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.895 -0.918 19108 20266 1 23 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.315 1.641 19108 20267 1 23 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.238 -1.232 19108 20268 1 23 . 1 1 72 72 GLU H H 72 12.692 12.692 8.410 4.282 19108 20269 1 23 . 1 1 73 73 LEU N N 73 114.882 114.882 119.212 -4.330 19108 20270 1 23 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.811 -0.226 19108 20271 1 23 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.359 -1.698 19108 20272 1 23 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.542 -2.297 19108 20273 1 23 . 1 1 73 73 LEU H H 73 6.637 6.637 7.869 -1.232 19108 20274 1 23 . 1 1 74 74 ARG N N 74 117.799 117.799 116.474 1.325 19108 20275 1 23 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.996 0.046 19108 20276 1 23 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.852 -0.677 19108 20277 1 23 . 1 1 74 74 ARG H H 74 7.556 7.556 7.764 -0.208 19108 20278 1 23 . 1 1 75 75 PHE N N 75 119.783 119.783 120.359 -0.576 19108 20279 1 23 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.157 -0.596 19108 20280 1 23 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.154 1.520 19108 20281 1 23 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.861 -0.823 19108 20282 1 23 . 1 1 75 75 PHE H H 75 8.233 8.233 7.612 0.621 19108 20283 1 23 . 1 1 76 76 LEU N N 76 119.526 119.526 120.056 -0.530 19108 20284 1 23 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.328 0.230 19108 20285 1 23 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.908 1.131 19108 20286 1 23 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.587 -2.571 19108 20287 1 23 . 1 1 76 76 LEU H H 76 7.629 7.629 8.185 -0.556 19108 20288 1 23 . 1 1 77 77 ASP N N 77 118.215 118.215 119.140 -0.925 19108 20289 1 23 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.447 -0.289 19108 20290 1 23 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.025 0.375 19108 20291 1 23 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.335 -0.967 19108 20292 1 23 . 1 1 77 77 ASP H H 77 8.190 8.190 7.997 0.193 19108 20293 1 23 . 1 1 78 78 LEU N N 78 117.496 117.496 113.246 4.250 19108 20294 1 23 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.569 -0.279 19108 20295 1 23 . 1 1 78 78 LEU CA C 78 54.985 54.985 54.364 0.621 19108 20296 1 23 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.514 0.887 19108 20297 1 23 . 1 1 78 78 LEU H H 78 7.252 7.252 7.082 0.170 19108 20298 1 23 . 1 1 79 79 VAL N N 79 120.915 120.915 124.085 -3.170 19108 20299 1 23 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.570 -0.347 19108 20300 1 23 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.613 0.915 19108 20301 1 23 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.171 -0.051 19108 20302 1 23 . 1 1 79 79 VAL H H 79 7.179 7.179 7.192 -0.013 19108 20303 1 23 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.364 -0.389 19108 20304 1 23 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.736 1.051 19108 20305 1 23 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.888 -1.080 19108 20306 1 23 . 1 1 81 81 SER N N 81 112.727 112.727 115.439 -2.712 19108 20307 1 23 . 1 1 81 81 SER HA H 81 4.314 4.314 4.241 0.073 19108 20308 1 23 . 1 1 81 81 SER CA C 81 60.618 60.618 60.961 -0.342 19108 20309 1 23 . 1 1 81 81 SER CB C 81 63.450 63.450 62.616 0.834 19108 20310 1 23 . 1 1 81 81 SER H H 81 7.828 7.828 7.577 0.251 19108 20311 1 23 . 1 1 82 82 LEU N N 82 120.918 120.918 119.630 1.288 19108 20312 1 23 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.274 -0.400 19108 20313 1 23 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.444 0.048 19108 20314 1 23 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.411 -2.200 19108 20315 1 23 . 1 1 82 82 LEU H H 82 7.912 7.912 7.436 0.476 19108 20316 1 23 . 1 1 83 83 GLN N N 83 111.397 111.397 116.417 -5.020 19108 20317 1 23 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.918 -0.110 19108 20318 1 23 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.898 0.268 19108 20319 1 23 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.638 0.030 19108 20320 1 23 . 1 1 83 83 GLN H H 83 7.458 7.458 7.443 0.015 19108 20321 1 23 . 1 1 84 84 LEU N N 84 118.520 118.520 120.011 -1.491 19108 20322 1 23 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.124 -0.405 19108 20323 1 23 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.617 -1.875 19108 20324 1 23 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.444 -3.199 19108 20325 1 23 . 1 1 84 84 LEU H H 84 8.736 8.736 8.259 0.477 19108 20326 1 23 . 1 1 85 85 ASP N N 85 126.187 126.187 121.904 4.283 19108 20327 1 23 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.132 -0.249 19108 20328 1 23 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.925 -0.579 19108 20329 1 23 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.458 1.490 19108 20330 1 23 . 1 1 85 85 ASP H H 85 8.415 8.415 8.572 -0.157 19108 20331 1 23 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.759 0.169 19108 20332 1 23 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.973 -0.335 19108 20333 1 23 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.772 -0.486 19108 20334 1 23 . 1 1 87 87 ALA N N 87 121.030 121.030 117.897 3.133 19108 20335 1 23 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.133 0.285 19108 20336 1 23 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.400 -1.228 19108 20337 1 23 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.884 0.464 19108 20338 1 23 . 1 1 87 87 ALA H H 87 8.504 8.504 7.813 0.691 19108 20339 1 23 . 1 1 88 88 GLN N N 88 119.601 119.601 114.029 5.572 19108 20340 1 23 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.541 -0.019 19108 20341 1 23 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.381 -0.947 19108 20342 1 23 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.151 -3.102 19108 20343 1 23 . 1 1 88 88 GLN H H 88 8.125 8.125 7.521 0.604 19108 20344 1 23 . 1 1 89 89 ILE N N 89 118.195 118.195 118.540 -0.345 19108 20345 1 23 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.922 0.047 19108 20346 1 23 . 1 1 89 89 ILE CA C 89 59.541 59.541 58.934 0.607 19108 20347 1 23 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.263 0.989 19108 20348 1 23 . 1 1 89 89 ILE H H 89 8.099 8.099 8.549 -0.450 19108 20349 1 23 . 1 1 90 90 TYR N N 90 122.421 122.421 123.230 -0.809 19108 20350 1 23 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.009 0.352 19108 20351 1 23 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.633 -1.593 19108 20352 1 23 . 1 1 90 90 TYR CB C 90 42.826 42.826 44.089 -1.263 19108 20353 1 23 . 1 1 90 90 TYR H H 90 8.892 8.892 8.423 0.469 19108 20354 1 23 . 1 1 91 91 ARG N N 91 121.043 121.043 121.974 -0.931 19108 20355 1 23 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.035 0.208 19108 20356 1 23 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.975 -1.440 19108 20357 1 23 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.427 -0.295 19108 20358 1 23 . 1 1 91 91 ARG H H 91 9.327 9.327 9.210 0.117 19108 20359 1 23 . 1 1 92 92 VAL N N 92 132.287 132.287 126.831 5.456 19108 20360 1 23 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.373 -0.449 19108 20361 1 23 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.268 0.637 19108 20362 1 23 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.305 -0.452 19108 20363 1 23 . 1 1 92 92 VAL H H 92 9.668 9.668 8.555 1.113 19108 20364 1 23 . 1 1 93 93 THR N N 93 124.468 124.468 121.900 2.568 19108 20365 1 23 . 1 1 93 93 THR HA H 93 5.264 5.264 4.700 0.564 19108 20366 1 23 . 1 1 93 93 THR CA C 93 61.616 61.616 61.403 0.214 19108 20367 1 23 . 1 1 93 93 THR CB C 93 70.082 70.082 71.466 -1.384 19108 20368 1 23 . 1 1 93 93 THR H H 93 9.381 9.381 8.369 1.012 19108 20369 1 23 . 1 1 94 94 TRP N N 94 124.491 124.491 125.740 -1.249 19108 20370 1 23 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.310 0.356 19108 20371 1 23 . 1 1 94 94 TRP CA C 94 52.205 52.205 53.387 -1.182 19108 20372 1 23 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.400 3.268 19108 20373 1 23 . 1 1 94 94 TRP H H 94 9.071 9.071 8.089 0.982 19108 20374 1 23 . 1 1 95 95 PHE N N 95 122.179 122.179 121.558 0.621 19108 20375 1 23 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.794 0.876 19108 20376 1 23 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.896 -1.122 19108 20377 1 23 . 1 1 95 95 PHE CB C 95 39.449 39.449 38.206 1.243 19108 20378 1 23 . 1 1 95 95 PHE H H 95 9.578 9.578 8.992 0.586 19108 20379 1 23 . 1 1 96 96 ILE N N 96 125.072 125.072 121.814 3.258 19108 20380 1 23 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.340 0.633 19108 20381 1 23 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.789 -1.362 19108 20382 1 23 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.165 4.908 19108 20383 1 23 . 1 1 96 96 ILE H H 96 9.816 9.816 9.142 0.674 19108 20384 1 23 . 1 1 97 97 SER N N 97 124.020 124.020 118.502 5.518 19108 20385 1 23 . 1 1 97 97 SER HA H 97 3.623 3.623 4.807 -1.184 19108 20386 1 23 . 1 1 97 97 SER CA C 97 61.750 61.750 59.275 2.475 19108 20387 1 23 . 1 1 97 97 SER CB C 97 63.711 63.711 64.146 -0.435 19108 20388 1 23 . 1 1 97 97 SER H H 97 9.156 9.156 8.503 0.653 19108 20389 1 23 . 1 1 98 98 TRP N N 98 114.829 114.829 121.513 -6.684 19108 20390 1 23 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.336 0.003 19108 20391 1 23 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.377 -1.706 19108 20392 1 23 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.154 2.597 19108 20393 1 23 . 1 1 98 98 TRP H H 98 6.619 6.619 7.890 -1.271 19108 20394 1 23 . 1 1 99 99 SER N N 99 115.444 115.444 119.831 -4.387 19108 20395 1 23 . 1 1 99 99 SER CA C 99 58.045 58.045 57.280 0.765 19108 20396 1 23 . 1 1 99 99 SER CB C 99 61.927 61.927 62.753 -0.826 19108 20397 1 23 . 1 1 99 99 SER H H 99 8.590 8.590 8.297 0.293 19108 20398 1 23 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.527 -1.602 19108 20399 1 23 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.461 2.335 19108 20400 1 23 . 1 1 101 101 CYS N N 101 121.768 121.768 115.362 6.406 19108 20401 1 23 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.290 0.369 19108 20402 1 23 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.077 1.112 19108 20403 1 23 . 1 1 101 101 CYS H H 101 8.686 8.686 8.407 0.279 19108 20404 1 23 . 1 1 102 102 PHE N N 102 115.031 115.031 122.869 -7.838 19108 20405 1 23 . 1 1 102 102 PHE CA C 102 58.960 58.960 55.935 3.025 19108 20406 1 23 . 1 1 102 102 PHE CB C 102 40.157 40.157 41.944 -1.787 19108 20407 1 23 . 1 1 102 102 PHE H H 102 9.318 9.318 8.005 1.313 19108 20408 1 23 . 1 1 103 103 SER N N 103 119.552 119.552 123.391 -3.839 19108 20409 1 23 . 1 1 103 103 SER HA H 103 3.713 3.713 4.193 -0.480 19108 20410 1 23 . 1 1 103 103 SER CA C 103 63.368 63.368 62.102 1.266 19108 20411 1 23 . 1 1 103 103 SER CB C 103 60.539 60.539 62.756 -2.217 19108 20412 1 23 . 1 1 103 103 SER H H 103 10.858 10.858 9.170 1.688 19108 20413 1 23 . 1 1 104 104 TRP N N 104 117.909 117.909 121.722 -3.813 19108 20414 1 23 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.792 -1.016 19108 20415 1 23 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.287 0.927 19108 20416 1 23 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.332 -1.446 19108 20417 1 23 . 1 1 104 104 TRP H H 104 7.880 7.880 8.761 -0.881 19108 20418 1 23 . 1 1 105 105 GLY N N 105 106.359 106.359 108.838 -2.479 19108 20419 1 23 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.943 -0.862 19108 20420 1 23 . 1 1 105 105 GLY H H 105 7.468 7.468 8.738 -1.270 19108 20421 1 23 . 1 1 106 106 CYS N N 106 120.359 120.359 121.199 -0.840 19108 20422 1 23 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.491 -0.632 19108 20423 1 23 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.585 4.517 19108 20424 1 23 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.369 2.349 19108 20425 1 23 . 1 1 106 106 CYS H H 106 7.366 7.366 8.388 -1.022 19108 20426 1 23 . 1 1 107 107 ALA N N 107 119.725 119.725 122.676 -2.951 19108 20427 1 23 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.106 -0.241 19108 20428 1 23 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.141 1.793 19108 20429 1 23 . 1 1 107 107 ALA CB C 107 18.443 18.443 17.994 0.449 19108 20430 1 23 . 1 1 107 107 ALA H H 107 8.719 8.719 8.555 0.164 19108 20431 1 23 . 1 1 108 108 GLY N N 108 103.829 103.829 107.418 -3.589 19108 20432 1 23 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.289 -0.395 19108 20433 1 23 . 1 1 108 108 GLY H H 108 8.555 8.555 7.890 0.665 19108 20434 1 23 . 1 1 109 109 GLU N N 109 123.162 123.162 121.970 1.192 19108 20435 1 23 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.226 0.040 19108 20436 1 23 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.017 0.274 19108 20437 1 23 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.321 1.061 19108 20438 1 23 . 1 1 109 109 GLU H H 109 8.023 8.023 7.824 0.199 19108 20439 1 23 . 1 1 110 110 VAL N N 110 121.866 121.866 120.342 1.524 19108 20440 1 23 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.892 -0.193 19108 20441 1 23 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.471 0.572 19108 20442 1 23 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.427 -0.421 19108 20443 1 23 . 1 1 110 110 VAL H H 110 8.942 8.942 7.900 1.042 19108 20444 1 23 . 1 1 111 111 ARG N N 111 120.587 120.587 120.346 0.241 19108 20445 1 23 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.981 -0.195 19108 20446 1 23 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.548 0.533 19108 20447 1 23 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.500 -0.325 19108 20448 1 23 . 1 1 111 111 ARG H H 111 8.653 8.653 8.004 0.649 19108 20449 1 23 . 1 1 112 112 ALA N N 112 120.687 120.687 122.483 -1.796 19108 20450 1 23 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.056 0.078 19108 20451 1 23 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.017 0.401 19108 20452 1 23 . 1 1 112 112 ALA CB C 112 17.991 17.991 17.967 0.024 19108 20453 1 23 . 1 1 112 112 ALA H H 112 7.875 7.875 8.299 -0.424 19108 20454 1 23 . 1 1 113 113 PHE N N 113 118.950 118.950 118.986 -0.036 19108 20455 1 23 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.124 0.213 19108 20456 1 23 . 1 1 113 113 PHE CA C 113 61.376 61.376 62.139 -0.763 19108 20457 1 23 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.346 0.041 19108 20458 1 23 . 1 1 113 113 PHE H H 113 8.139 8.139 7.680 0.459 19108 20459 1 23 . 1 1 114 114 LEU N N 114 120.595 120.595 118.524 2.071 19108 20460 1 23 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.998 -0.198 19108 20461 1 23 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.859 -0.727 19108 20462 1 23 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.466 -0.557 19108 20463 1 23 . 1 1 114 114 LEU H H 114 8.639 8.639 7.789 0.850 19108 20464 1 23 . 1 1 115 115 GLN N N 115 117.666 117.666 118.871 -1.205 19108 20465 1 23 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.015 0.008 19108 20466 1 23 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.728 -0.342 19108 20467 1 23 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.595 -0.057 19108 20468 1 23 . 1 1 115 115 GLN H H 115 8.167 8.167 8.650 -0.483 19108 20469 1 23 . 1 1 116 116 GLU N N 116 115.380 115.380 114.980 0.400 19108 20470 1 23 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.451 -0.129 19108 20471 1 23 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.305 0.757 19108 20472 1 23 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.733 -0.018 19108 20473 1 23 . 1 1 116 116 GLU H H 116 7.448 7.448 7.567 -0.119 19108 20474 1 23 . 1 1 117 117 ASN N N 117 119.831 119.831 118.143 1.688 19108 20475 1 23 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.094 -0.029 19108 20476 1 23 . 1 1 117 117 ASN CA C 117 52.185 52.185 53.243 -1.058 19108 20477 1 23 . 1 1 117 117 ASN CB C 117 38.246 38.246 40.025 -1.779 19108 20478 1 23 . 1 1 117 117 ASN H H 117 7.632 7.632 8.156 -0.524 19108 20479 1 23 . 1 1 118 118 THR N N 118 111.041 111.041 114.344 -3.303 19108 20480 1 23 . 1 1 118 118 THR HA H 118 4.317 4.317 4.067 0.250 19108 20481 1 23 . 1 1 118 118 THR CA C 118 64.081 64.081 64.497 -0.416 19108 20482 1 23 . 1 1 118 118 THR CB C 118 68.767 68.767 68.808 -0.041 19108 20483 1 23 . 1 1 118 118 THR H H 118 8.054 8.054 7.905 0.149 19108 20484 1 23 . 1 1 119 119 HIS N N 119 120.403 120.403 116.567 3.836 19108 20485 1 23 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.666 -0.377 19108 20486 1 23 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.703 0.899 19108 20487 1 23 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.177 1.143 19108 20488 1 23 . 1 1 119 119 HIS H H 119 9.248 9.248 8.246 1.002 19108 20489 1 23 . 1 1 120 120 VAL N N 120 120.001 120.001 119.187 0.814 19108 20490 1 23 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.457 0.069 19108 20491 1 23 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.654 1.236 19108 20492 1 23 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.099 -1.104 19108 20493 1 23 . 1 1 120 120 VAL H H 120 7.379 7.379 7.760 -0.381 19108 20494 1 23 . 1 1 121 121 ARG N N 121 125.312 125.312 127.043 -1.731 19108 20495 1 23 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.418 0.392 19108 20496 1 23 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.916 -1.849 19108 20497 1 23 . 1 1 121 121 ARG CB C 121 30.580 30.580 30.633 -0.053 19108 20498 1 23 . 1 1 121 121 ARG H H 121 8.775 8.775 8.441 0.334 19108 20499 1 23 . 1 1 122 122 LEU N N 122 125.483 125.483 126.226 -0.743 19108 20500 1 23 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.134 0.026 19108 20501 1 23 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.008 0.292 19108 20502 1 23 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.590 2.082 19108 20503 1 23 . 1 1 122 122 LEU H H 122 9.345 9.345 8.554 0.791 19108 20504 1 23 . 1 1 123 123 ARG N N 123 127.748 127.748 123.832 3.916 19108 20505 1 23 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.806 -0.070 19108 20506 1 23 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.189 -0.022 19108 20507 1 23 . 1 1 123 123 ARG CB C 123 32.812 32.812 33.724 -0.912 19108 20508 1 23 . 1 1 123 123 ARG H H 123 9.053 9.053 7.873 1.180 19108 20509 1 23 . 1 1 124 124 ILE N N 124 123.665 123.665 122.393 1.272 19108 20510 1 23 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.216 0.226 19108 20511 1 23 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.594 2.164 19108 20512 1 23 . 1 1 124 124 ILE CB C 124 41.893 41.893 38.282 3.611 19108 20513 1 23 . 1 1 124 124 ILE H H 124 9.019 9.019 8.877 0.142 19108 20514 1 23 . 1 1 125 125 PHE N N 125 126.320 126.320 128.243 -1.923 19108 20515 1 23 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.122 0.043 19108 20516 1 23 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.651 0.263 19108 20517 1 23 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.389 0.430 19108 20518 1 23 . 1 1 125 125 PHE H H 125 9.359 9.359 8.275 1.084 19108 20519 1 23 . 1 1 126 126 ALA N N 126 124.526 124.526 128.814 -4.288 19108 20520 1 23 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.024 0.792 19108 20521 1 23 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.754 -1.884 19108 20522 1 23 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.359 0.975 19108 20523 1 23 . 1 1 126 126 ALA H H 126 9.091 9.091 8.426 0.665 19108 20524 1 23 . 1 1 127 127 ALA N N 127 126.272 126.272 127.003 -0.731 19108 20525 1 23 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.512 0.239 19108 20526 1 23 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.828 1.640 19108 20527 1 23 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.716 -0.111 19108 20528 1 23 . 1 1 127 127 ALA H H 127 9.049 9.049 8.982 0.067 19108 20529 1 23 . 1 1 128 128 ARG N N 128 108.570 108.570 117.308 -8.738 19108 20530 1 23 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.559 -0.145 19108 20531 1 23 . 1 1 128 128 ARG CB C 128 37.206 37.206 32.944 4.262 19108 20532 1 23 . 1 1 128 128 ARG H H 128 6.741 6.741 7.968 -1.227 19108 20533 1 23 . 1 1 129 129 ILE N N 129 121.285 121.285 123.904 -2.619 19108 20534 1 23 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.244 0.047 19108 20535 1 23 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.741 0.126 19108 20536 1 23 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.923 0.906 19108 20537 1 23 . 1 1 129 129 ILE H H 129 8.340 8.340 8.384 -0.044 19108 20538 1 23 . 1 1 130 130 TYR N N 130 130.143 130.143 128.472 1.671 19108 20539 1 23 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.410 0.925 19108 20540 1 23 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.988 -1.062 19108 20541 1 23 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.394 -3.231 19108 20542 1 23 . 1 1 130 130 TYR H H 130 8.870 8.870 8.595 0.275 19108 20543 1 23 . 1 1 131 131 ASP N N 131 123.662 123.662 121.789 1.873 19108 20544 1 23 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.030 -1.363 19108 20545 1 23 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.709 1.004 19108 20546 1 23 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.118 -3.217 19108 20547 1 23 . 1 1 131 131 ASP H H 131 8.123 8.123 8.252 -0.129 19108 20548 1 23 . 1 1 132 132 TYR N N 132 116.852 116.852 120.911 -4.059 19108 20549 1 23 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.613 -0.698 19108 20550 1 23 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.892 -0.424 19108 20551 1 23 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.508 -0.471 19108 20552 1 23 . 1 1 132 132 TYR H H 132 6.448 6.448 8.916 -2.468 19108 20553 1 23 . 1 1 133 133 ASP N N 133 116.930 116.930 118.473 -1.543 19108 20554 1 23 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.676 -1.511 19108 20555 1 23 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.806 1.976 19108 20556 1 23 . 1 1 133 133 ASP H H 133 7.005 7.005 7.904 -0.899 19108 20557 1 23 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.638 -0.535 19108 20558 1 23 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.336 0.365 19108 20559 1 23 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.745 0.345 19108 20560 1 23 . 1 1 135 135 LEU N N 135 120.252 120.252 120.719 -0.467 19108 20561 1 23 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.970 0.728 19108 20562 1 23 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.148 -2.767 19108 20563 1 23 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.698 -1.954 19108 20564 1 23 . 1 1 135 135 LEU H H 135 8.456 8.456 7.788 0.668 19108 20565 1 23 . 1 1 136 136 TYR N N 136 117.432 117.432 117.343 0.089 19108 20566 1 23 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.151 -0.090 19108 20567 1 23 . 1 1 136 136 TYR CA C 136 61.058 61.058 58.692 2.366 19108 20568 1 23 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.821 0.759 19108 20569 1 23 . 1 1 136 136 TYR H H 136 8.028 8.028 7.900 0.128 19108 20570 1 23 . 1 1 137 137 LYS N N 137 122.000 122.000 119.876 2.124 19108 20571 1 23 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.655 0.644 19108 20572 1 23 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.861 -1.063 19108 20573 1 23 . 1 1 137 137 LYS H H 137 7.503 7.503 7.879 -0.376 19108 20574 1 23 . 1 1 138 138 GLU N N 138 121.833 121.833 118.505 3.328 19108 20575 1 23 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.119 0.722 19108 20576 1 23 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.016 -1.547 19108 20577 1 23 . 1 1 138 138 GLU H H 138 8.752 8.752 8.048 0.704 19108 20578 1 23 . 1 1 139 139 ALA N N 139 119.592 119.592 122.896 -3.304 19108 20579 1 23 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.012 -0.166 19108 20580 1 23 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.241 -0.101 19108 20581 1 23 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.471 1.784 19108 20582 1 23 . 1 1 139 139 ALA H H 139 7.682 7.682 7.492 0.190 19108 20583 1 23 . 1 1 140 140 LEU N N 140 116.268 116.268 119.369 -3.101 19108 20584 1 23 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.145 0.048 19108 20585 1 23 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.375 -0.280 19108 20586 1 23 . 1 1 140 140 LEU H H 140 7.175 7.175 7.636 -0.461 19108 20587 1 23 . 1 1 141 141 GLN N N 141 117.550 117.550 118.257 -0.707 19108 20588 1 23 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.927 -0.208 19108 20589 1 23 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.838 0.213 19108 20590 1 23 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.440 -0.846 19108 20591 1 23 . 1 1 141 141 GLN H H 141 8.322 8.322 7.608 0.714 19108 20592 1 23 . 1 1 142 142 MET N N 142 118.520 118.520 118.767 -0.247 19108 20593 1 23 . 1 1 142 142 MET HA H 142 4.135 4.135 3.994 0.141 19108 20594 1 23 . 1 1 142 142 MET CA C 142 59.051 59.051 59.007 0.044 19108 20595 1 23 . 1 1 142 142 MET CB C 142 33.170 33.170 32.324 0.846 19108 20596 1 23 . 1 1 142 142 MET H H 142 8.241 8.241 8.038 0.203 19108 20597 1 23 . 1 1 143 143 LEU N N 143 118.659 118.659 118.895 -0.236 19108 20598 1 23 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.936 0.356 19108 20599 1 23 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.939 0.176 19108 20600 1 23 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.213 0.164 19108 20601 1 23 . 1 1 143 143 LEU H H 143 7.932 7.932 8.079 -0.147 19108 20602 1 23 . 1 1 144 144 ARG N N 144 121.294 121.294 120.091 1.203 19108 20603 1 23 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.939 0.487 19108 20604 1 23 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.604 -0.615 19108 20605 1 23 . 1 1 144 144 ARG CB C 144 28.108 28.108 30.082 -1.974 19108 20606 1 23 . 1 1 144 144 ARG H H 144 7.968 7.968 7.730 0.238 19108 20607 1 23 . 1 1 145 145 ASP N N 145 122.553 122.553 119.636 2.917 19108 20608 1 23 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.494 -0.065 19108 20609 1 23 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.360 0.218 19108 20610 1 23 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.343 -0.752 19108 20611 1 23 . 1 1 145 145 ASP H H 145 8.868 8.868 7.937 0.931 19108 20612 1 23 . 1 1 146 146 ALA N N 146 120.102 120.102 118.839 1.263 19108 20613 1 23 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.587 -0.169 19108 20614 1 23 . 1 1 146 146 ALA CA C 146 52.034 52.034 51.663 0.371 19108 20615 1 23 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.314 -0.019 19108 20616 1 23 . 1 1 146 146 ALA H H 146 7.737 7.737 7.669 0.068 19108 20617 1 23 . 1 1 147 147 GLY N N 147 105.039 105.039 107.382 -2.343 19108 20618 1 23 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.543 -0.679 19108 20619 1 23 . 1 1 147 147 GLY H H 147 7.966 7.966 7.988 -0.022 19108 20620 1 23 . 1 1 148 148 ALA N N 148 124.181 124.181 122.629 1.552 19108 20621 1 23 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.029 0.660 19108 20622 1 23 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.349 -0.890 19108 20623 1 23 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.834 -1.355 19108 20624 1 23 . 1 1 148 148 ALA H H 148 8.051 8.051 7.456 0.595 19108 20625 1 23 . 1 1 149 149 GLN N N 149 122.185 122.185 119.874 2.311 19108 20626 1 23 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.506 -0.067 19108 20627 1 23 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.795 0.160 19108 20628 1 23 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.313 -0.892 19108 20629 1 23 . 1 1 149 149 GLN H H 149 7.953 7.953 7.952 0.001 19108 20630 1 23 . 1 1 150 150 VAL N N 150 127.399 127.399 127.206 0.193 19108 20631 1 23 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.586 0.166 19108 20632 1 23 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.803 0.636 19108 20633 1 23 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.734 0.444 19108 20634 1 23 . 1 1 150 150 VAL H H 150 8.658 8.658 8.455 0.203 19108 20635 1 23 . 1 1 151 151 SER N N 151 120.616 120.616 122.785 -2.169 19108 20636 1 23 . 1 1 151 151 SER HA H 151 5.179 5.179 4.856 0.323 19108 20637 1 23 . 1 1 151 151 SER CA C 151 56.981 56.981 57.151 -0.170 19108 20638 1 23 . 1 1 151 151 SER CB C 151 66.538 66.538 66.546 -0.008 19108 20639 1 23 . 1 1 151 151 SER H H 151 8.737 8.737 8.222 0.515 19108 20640 1 23 . 1 1 152 152 ILE N N 152 123.180 123.180 121.427 1.753 19108 20641 1 23 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.695 0.452 19108 20642 1 23 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.104 -3.586 19108 20643 1 23 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.073 -1.993 19108 20644 1 23 . 1 1 152 152 ILE H H 152 8.672 8.672 8.681 -0.009 19108 20645 1 23 . 1 1 153 153 MET N N 153 123.477 123.477 124.930 -1.453 19108 20646 1 23 . 1 1 153 153 MET HA H 153 3.886 3.886 4.563 -0.677 19108 20647 1 23 . 1 1 153 153 MET CA C 153 59.053 59.053 57.430 1.623 19108 20648 1 23 . 1 1 153 153 MET CB C 153 34.793 34.793 33.672 1.121 19108 20649 1 23 . 1 1 153 153 MET H H 153 8.314 8.314 8.487 -0.173 19108 20650 1 23 . 1 1 154 154 THR N N 154 117.621 117.621 116.840 0.781 19108 20651 1 23 . 1 1 154 154 THR HA H 154 4.951 4.951 4.743 0.208 19108 20652 1 23 . 1 1 154 154 THR CA C 154 60.436 60.436 60.312 0.124 19108 20653 1 23 . 1 1 154 154 THR CB C 154 72.370 72.370 71.230 1.140 19108 20654 1 23 . 1 1 154 154 THR H H 154 9.630 9.630 8.042 1.588 19108 20655 1 23 . 1 1 155 155 TYR N N 155 121.751 121.751 121.708 0.043 19108 20656 1 23 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.328 -0.229 19108 20657 1 23 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.747 2.692 19108 20658 1 23 . 1 1 155 155 TYR CB C 155 39.286 39.286 39.182 0.104 19108 20659 1 23 . 1 1 155 155 TYR H H 155 9.769 9.769 8.902 0.867 19108 20660 1 23 . 1 1 156 156 ASP N N 156 115.555 115.555 118.393 -2.838 19108 20661 1 23 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.077 0.031 19108 20662 1 23 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.207 1.053 19108 20663 1 23 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.874 0.744 19108 20664 1 23 . 1 1 156 156 ASP H H 156 8.230 8.230 8.255 -0.025 19108 20665 1 23 . 1 1 157 157 GLU N N 157 117.678 117.678 119.687 -2.009 19108 20666 1 23 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.043 -0.173 19108 20667 1 23 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.705 1.802 19108 20668 1 23 . 1 1 157 157 GLU CB C 157 31.048 31.048 28.616 2.432 19108 20669 1 23 . 1 1 157 157 GLU H H 157 7.470 7.470 8.612 -1.142 19108 20670 1 23 . 1 1 158 158 PHE N N 158 119.869 119.869 121.706 -1.837 19108 20671 1 23 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.740 0.089 19108 20672 1 23 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.547 1.230 19108 20673 1 23 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.723 1.184 19108 20674 1 23 . 1 1 158 158 PHE H H 158 8.077 8.077 7.346 0.731 19108 20675 1 23 . 1 1 159 159 LYS N N 159 118.859 118.859 118.964 -0.105 19108 20676 1 23 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.772 0.145 19108 20677 1 23 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.985 -0.754 19108 20678 1 23 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.357 -0.394 19108 20679 1 23 . 1 1 159 159 LYS H H 159 8.273 8.273 7.525 0.748 19108 20680 1 23 . 1 1 160 160 HIS N N 160 115.889 115.889 118.792 -2.903 19108 20681 1 23 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.433 -0.274 19108 20682 1 23 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.948 1.033 19108 20683 1 23 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.640 -1.710 19108 20684 1 23 . 1 1 160 160 HIS H H 160 7.695 7.695 7.735 -0.040 19108 20685 1 23 . 1 1 161 161 CYS N N 161 118.188 118.188 119.403 -1.215 19108 20686 1 23 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.258 0.531 19108 20687 1 23 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.554 1.240 19108 20688 1 23 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.305 1.581 19108 20689 1 23 . 1 1 161 161 CYS H H 161 7.885 7.885 8.198 -0.313 19108 20690 1 23 . 1 1 162 162 TRP N N 162 122.741 122.741 122.072 0.669 19108 20691 1 23 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.356 0.408 19108 20692 1 23 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.624 0.093 19108 20693 1 23 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.191 -0.598 19108 20694 1 23 . 1 1 162 162 TRP H H 162 8.040 8.040 7.919 0.121 19108 20695 1 23 . 1 1 163 163 ASP N N 163 113.796 113.796 117.227 -3.431 19108 20696 1 23 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.465 0.661 19108 20697 1 23 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.144 1.786 19108 20698 1 23 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.005 1.530 19108 20699 1 23 . 1 1 163 163 ASP H H 163 8.319 8.319 7.817 0.502 19108 20700 1 23 . 1 1 164 164 THR N N 164 112.008 112.008 113.606 -1.598 19108 20701 1 23 . 1 1 164 164 THR HA H 164 3.803 3.803 3.940 -0.137 19108 20702 1 23 . 1 1 164 164 THR CA C 164 65.164 65.164 64.345 0.819 19108 20703 1 23 . 1 1 164 164 THR CB C 164 70.171 70.171 69.316 0.855 19108 20704 1 23 . 1 1 164 164 THR H H 164 7.494 7.494 7.650 -0.156 19108 20705 1 23 . 1 1 165 165 PHE N N 165 115.079 115.079 117.495 -2.416 19108 20706 1 23 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.522 0.013 19108 20707 1 23 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.520 0.449 19108 20708 1 23 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.261 0.107 19108 20709 1 23 . 1 1 165 165 PHE H H 165 8.235 8.235 7.289 0.946 19108 20710 1 23 . 1 1 166 166 VAL N N 166 118.432 118.432 119.240 -0.808 19108 20711 1 23 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.243 -0.218 19108 20712 1 23 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.087 0.914 19108 20713 1 23 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.939 -3.584 19108 20714 1 23 . 1 1 166 166 VAL H H 166 6.838 6.838 6.944 -0.106 19108 20715 1 23 . 1 1 167 167 ASP N N 167 126.263 126.263 127.529 -1.266 19108 20716 1 23 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.583 -0.735 19108 20717 1 23 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.754 -2.124 19108 20718 1 23 . 1 1 167 167 ASP CB C 167 38.080 38.080 38.953 -0.873 19108 20719 1 23 . 1 1 167 167 ASP H H 167 8.498 8.498 8.512 -0.014 19108 20720 1 23 . 1 1 168 168 HIS N N 168 119.890 119.890 117.096 2.794 19108 20721 1 23 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.269 0.077 19108 20722 1 23 . 1 1 168 168 HIS CA C 168 56.575 56.575 56.984 -0.409 19108 20723 1 23 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.812 2.650 19108 20724 1 23 . 1 1 168 168 HIS H H 168 6.977 6.977 7.881 -0.904 19108 20725 1 23 . 1 1 169 169 GLN N N 169 119.254 119.254 114.945 4.309 19108 20726 1 23 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.973 -0.250 19108 20727 1 23 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.490 0.280 19108 20728 1 23 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.138 -0.617 19108 20729 1 23 . 1 1 169 169 GLN H H 169 9.126 9.126 8.887 0.239 19108 20730 1 23 . 1 1 170 170 GLY N N 170 111.911 111.911 102.191 9.720 19108 20731 1 23 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.121 0.703 19108 20732 1 23 . 1 1 170 170 GLY H H 170 11.556 11.556 5.960 5.596 19108 20733 1 23 . 1 1 171 171 CYS N N 171 123.390 123.390 120.981 2.409 19108 20734 1 23 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.888 -0.172 19108 20735 1 23 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.400 1.385 19108 20736 1 23 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.250 -1.346 19108 20737 1 23 . 1 1 171 171 CYS H H 171 8.044 8.044 7.335 0.709 19108 20738 1 23 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.449 0.169 19108 20739 1 23 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.274 -1.416 19108 20740 1 23 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.192 0.337 19108 20741 1 23 . 1 1 173 173 PHE N N 173 121.101 121.101 122.139 -1.038 19108 20742 1 23 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.839 -0.183 19108 20743 1 23 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.780 -1.239 19108 20744 1 23 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.431 -0.685 19108 20745 1 23 . 1 1 173 173 PHE H H 173 8.842 8.842 8.307 0.535 19108 20746 1 23 . 1 1 174 174 GLN N N 174 129.493 129.493 125.637 3.856 19108 20747 1 23 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.030 0.287 19108 20748 1 23 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.207 -0.412 19108 20749 1 23 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.312 -0.215 19108 20750 1 23 . 1 1 174 174 GLN H H 174 7.250 7.250 7.020 0.230 19108 20751 1 23 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.470 -0.556 19108 20752 1 23 . 1 1 175 175 PRO CA C 175 62.423 62.423 61.906 0.517 19108 20753 1 23 . 1 1 176 176 TRP N N 176 118.133 118.133 123.646 -5.513 19108 20754 1 23 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.746 -0.113 19108 20755 1 23 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.016 0.146 19108 20756 1 23 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.446 -0.557 19108 20757 1 23 . 1 1 176 176 TRP H H 176 5.591 5.591 6.711 -1.120 19108 20758 1 23 . 1 1 177 177 ASP N N 177 121.814 121.814 120.164 1.650 19108 20759 1 23 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.621 -0.224 19108 20760 1 23 . 1 1 177 177 ASP CA C 177 56.172 56.172 53.163 3.010 19108 20761 1 23 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.118 1.557 19108 20762 1 23 . 1 1 177 177 ASP H H 177 8.848 8.848 8.542 0.306 19108 20763 1 23 . 1 1 178 178 GLY N N 178 111.875 111.875 109.995 1.880 19108 20764 1 23 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.299 0.367 19108 20765 1 23 . 1 1 178 178 GLY H H 178 8.987 8.987 8.129 0.858 19108 20766 1 23 . 1 1 179 179 LEU N N 179 121.470 121.470 121.549 -0.079 19108 20767 1 23 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.239 0.249 19108 20768 1 23 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.718 3.063 19108 20769 1 23 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.333 -0.104 19108 20770 1 23 . 1 1 179 179 LEU H H 179 7.148 7.148 8.108 -0.960 19108 20771 1 23 . 1 1 180 180 ASP N N 180 119.476 119.476 116.344 3.132 19108 20772 1 23 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.219 0.273 19108 20773 1 23 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.413 0.526 19108 20774 1 23 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.768 0.945 19108 20775 1 23 . 1 1 180 180 ASP H H 180 8.874 8.874 8.515 0.359 19108 20776 1 23 . 1 1 181 181 GLU N N 181 122.379 122.379 119.894 2.485 19108 20777 1 23 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.070 -0.058 19108 20778 1 23 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.448 0.521 19108 20779 1 23 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.606 -0.680 19108 20780 1 23 . 1 1 181 181 GLU H H 181 8.712 8.712 8.403 0.309 19108 20781 1 23 . 1 1 182 182 HIS N N 182 118.572 118.572 117.585 0.987 19108 20782 1 23 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.487 0.267 19108 20783 1 23 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.409 0.620 19108 20784 1 23 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.268 -0.420 19108 20785 1 23 . 1 1 182 182 HIS H H 182 8.854 8.854 7.867 0.987 19108 20786 1 23 . 1 1 183 183 SER N N 183 116.329 116.329 117.271 -0.942 19108 20787 1 23 . 1 1 183 183 SER HA H 183 4.554 4.554 4.198 0.356 19108 20788 1 23 . 1 1 183 183 SER CA C 183 63.604 63.604 62.566 1.038 19108 20789 1 23 . 1 1 183 183 SER CB C 183 65.216 65.216 62.922 2.294 19108 20790 1 23 . 1 1 183 183 SER H H 183 8.665 8.665 8.030 0.635 19108 20791 1 23 . 1 1 184 184 GLN N N 184 122.215 122.215 121.428 0.787 19108 20792 1 23 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.017 0.230 19108 20793 1 23 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.745 0.215 19108 20794 1 23 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.518 0.417 19108 20795 1 23 . 1 1 184 184 GLN H H 184 8.714 8.714 7.634 1.080 19108 20796 1 23 . 1 1 185 185 ALA N N 185 124.432 124.432 122.897 1.535 19108 20797 1 23 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.023 0.261 19108 20798 1 23 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.175 0.294 19108 20799 1 23 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.020 0.354 19108 20800 1 23 . 1 1 185 185 ALA H H 185 8.258 8.258 7.576 0.682 19108 20801 1 23 . 1 1 186 186 LEU N N 186 119.941 119.941 118.238 1.703 19108 20802 1 23 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.948 0.264 19108 20803 1 23 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.760 0.457 19108 20804 1 23 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.519 1.245 19108 20805 1 23 . 1 1 186 186 LEU H H 186 8.953 8.953 7.772 1.181 19108 20806 1 23 . 1 1 187 187 SER N N 187 116.987 116.987 114.769 2.218 19108 20807 1 23 . 1 1 187 187 SER HA H 187 4.039 4.039 4.185 -0.146 19108 20808 1 23 . 1 1 187 187 SER CA C 187 63.302 63.302 62.201 1.101 19108 20809 1 23 . 1 1 187 187 SER CB C 187 62.760 62.760 62.761 -0.001 19108 20810 1 23 . 1 1 187 187 SER H H 187 8.935 8.935 8.546 0.389 19108 20811 1 23 . 1 1 188 188 GLY N N 188 110.215 110.215 108.913 1.302 19108 20812 1 23 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.734 0.420 19108 20813 1 23 . 1 1 188 188 GLY H H 188 8.228 8.228 8.557 -0.329 19108 20814 1 23 . 1 1 189 189 ARG N N 189 122.994 122.994 122.722 0.272 19108 20815 1 23 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.997 0.240 19108 20816 1 23 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.105 0.453 19108 20817 1 23 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.104 0.291 19108 20818 1 23 . 1 1 189 189 ARG H H 189 7.838 7.838 7.572 0.266 19108 20819 1 23 . 1 1 190 190 LEU N N 190 119.765 119.765 119.681 0.084 19108 20820 1 23 . 1 1 190 190 LEU HA H 190 4.238 4.238 3.933 0.305 19108 20821 1 23 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.914 0.305 19108 20822 1 23 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.805 -0.563 19108 20823 1 23 . 1 1 190 190 LEU H H 190 8.791 8.791 7.982 0.809 19108 20824 1 23 . 1 1 191 191 ARG N N 191 118.427 118.427 117.977 0.450 19108 20825 1 23 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.915 0.128 19108 20826 1 23 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.587 1.195 19108 20827 1 23 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.289 -0.098 19108 20828 1 23 . 1 1 191 191 ARG H H 191 8.305 8.305 7.649 0.656 19108 20829 1 23 . 1 1 192 192 ALA N N 192 119.414 119.414 119.052 0.362 19108 20830 1 23 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.179 0.038 19108 20831 1 23 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.320 0.396 19108 20832 1 23 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.755 -0.590 19108 20833 1 23 . 1 1 192 192 ALA H H 192 7.414 7.414 7.801 -0.387 19108 20834 1 23 . 1 1 193 193 ILE N N 193 118.949 118.949 119.991 -1.042 19108 20835 1 23 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.836 -0.066 19108 20836 1 23 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.484 1.354 19108 20837 1 23 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.156 1.290 19108 20838 1 23 . 1 1 193 193 ILE H H 193 7.896 7.896 7.658 0.238 19108 20839 1 23 . 1 1 194 194 LEU N N 194 116.435 116.435 117.440 -1.005 19108 20840 1 23 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.280 -0.007 19108 20841 1 23 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.383 0.330 19108 20842 1 23 . 1 1 194 194 LEU CB C 194 40.471 40.471 40.011 0.460 19108 20843 1 23 . 1 1 194 194 LEU H H 194 8.296 8.296 7.661 0.635 19108 20844 1 23 . 1 1 195 195 GLN N N 195 118.580 118.580 117.379 1.201 19108 20845 1 23 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.172 0.163 19108 20846 1 23 . 1 1 195 195 GLN CA C 195 56.417 56.417 57.371 -0.954 19108 20847 1 23 . 1 1 195 195 GLN CB C 195 28.598 28.598 29.151 -0.553 19108 20848 1 23 . 1 1 195 195 GLN H H 195 7.921 7.921 7.355 0.566 19108 20849 1 23 . 1 1 196 196 ASN N N 196 118.941 118.941 117.833 1.108 19108 20850 1 23 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.744 -0.042 19108 20851 1 23 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.174 0.276 19108 20852 1 23 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.993 -0.168 19108 20853 1 23 . 1 1 196 196 ASN H H 196 8.078 8.078 7.814 0.264 19108 20854 1 23 . 1 1 197 197 GLN N N 197 120.984 120.984 123.773 -2.789 19108 20855 1 23 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.495 -0.139 19108 20856 1 23 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.265 0.901 19108 20857 1 23 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.630 -1.134 19108 20858 1 23 . 1 1 197 197 GLN H H 197 8.526 8.526 8.584 -0.058 19108 20859 1 23 . 1 1 198 198 GLY N N 198 109.565 109.565 107.605 1.960 19108 20860 1 23 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.089 0.295 19108 20861 1 23 . 1 1 198 198 GLY H H 198 8.467 8.467 8.177 0.290 19108 20862 1 24 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.338 0.036 19108 20863 1 24 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.593 -0.245 19108 20864 1 24 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.760 -0.307 19108 20865 1 24 . 1 1 3 3 ALA N N 3 125.932 125.932 122.915 3.017 19108 20866 1 24 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.012 0.338 19108 20867 1 24 . 1 1 3 3 ALA CA C 3 52.407 52.407 53.844 -1.437 19108 20868 1 24 . 1 1 3 3 ALA CB C 3 19.580 19.580 17.826 1.754 19108 20869 1 24 . 1 1 3 3 ALA H H 3 8.526 8.526 8.272 0.254 19108 20870 1 24 . 1 1 4 4 SER N N 4 116.729 116.729 117.069 -0.340 19108 20871 1 24 . 1 1 4 4 SER HA H 4 4.766 4.766 4.785 -0.019 19108 20872 1 24 . 1 1 4 4 SER CA C 4 56.283 56.283 55.876 0.408 19108 20873 1 24 . 1 1 4 4 SER CB C 4 63.278 63.278 63.939 -0.661 19108 20874 1 24 . 1 1 4 4 SER H H 4 8.397 8.397 8.019 0.378 19108 20875 1 24 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.351 0.095 19108 20876 1 24 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.833 -0.527 19108 20877 1 24 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.976 0.121 19108 20878 1 24 . 1 1 6 6 ALA N N 6 124.236 124.236 122.444 1.792 19108 20879 1 24 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.240 0.093 19108 20880 1 24 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.632 -0.069 19108 20881 1 24 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.347 0.987 19108 20882 1 24 . 1 1 6 6 ALA H H 6 8.411 8.411 8.141 0.270 19108 20883 1 24 . 1 1 7 7 SER N N 7 114.497 114.497 119.869 -5.372 19108 20884 1 24 . 1 1 7 7 SER HA H 7 4.475 4.475 4.608 -0.133 19108 20885 1 24 . 1 1 7 7 SER CA C 7 58.258 58.258 57.484 0.774 19108 20886 1 24 . 1 1 7 7 SER CB C 7 64.174 64.174 62.203 1.971 19108 20887 1 24 . 1 1 7 7 SER H H 7 8.195 8.195 8.518 -0.323 19108 20888 1 24 . 1 1 8 8 GLY N N 8 110.497 110.497 110.965 -0.468 19108 20889 1 24 . 1 1 8 8 GLY CA C 8 44.846 44.846 46.047 -1.201 19108 20890 1 24 . 1 1 8 8 GLY H H 8 8.226 8.226 7.792 0.434 19108 20891 1 24 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.108 0.341 19108 20892 1 24 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.707 -0.273 19108 20893 1 24 . 1 1 9 9 PRO CB C 9 32.193 32.193 30.976 1.217 19108 20894 1 24 . 1 1 10 10 ARG N N 10 120.534 120.534 123.143 -2.609 19108 20895 1 24 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.534 -0.193 19108 20896 1 24 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.914 0.101 19108 20897 1 24 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.331 -0.522 19108 20898 1 24 . 1 1 10 10 ARG H H 10 8.469 8.469 8.046 0.423 19108 20899 1 24 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.708 0.117 19108 20900 1 24 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.175 0.286 19108 20901 1 24 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.817 0.374 19108 20902 1 24 . 1 1 12 12 LEU N N 12 122.284 122.284 122.629 -0.345 19108 20903 1 24 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.729 -0.120 19108 20904 1 24 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.087 1.943 19108 20905 1 24 . 1 1 12 12 LEU H H 12 8.250 8.250 8.028 0.222 19108 20906 1 24 . 1 1 13 13 MET N N 13 121.493 121.493 119.519 1.974 19108 20907 1 24 . 1 1 13 13 MET HA H 13 4.038 4.038 4.375 -0.337 19108 20908 1 24 . 1 1 13 13 MET CA C 13 54.449 54.449 55.849 -1.400 19108 20909 1 24 . 1 1 13 13 MET CB C 13 35.015 35.015 33.006 2.009 19108 20910 1 24 . 1 1 13 13 MET H H 13 8.955 8.955 8.266 0.689 19108 20911 1 24 . 1 1 14 14 ASP N N 14 127.113 127.113 122.635 4.478 19108 20912 1 24 . 1 1 14 14 ASP HA H 14 4.100 4.100 5.145 -1.045 19108 20913 1 24 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.443 -0.987 19108 20914 1 24 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.389 2.121 19108 20915 1 24 . 1 1 14 14 ASP H H 14 8.514 8.514 8.577 -0.063 19108 20916 1 24 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.218 -0.365 19108 20917 1 24 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.706 -0.051 19108 20918 1 24 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.205 -0.554 19108 20919 1 24 . 1 1 16 16 HIS N N 16 115.776 115.776 116.421 -0.645 19108 20920 1 24 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.433 -0.155 19108 20921 1 24 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.073 -1.155 19108 20922 1 24 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.701 -0.492 19108 20923 1 24 . 1 1 16 16 HIS H H 16 8.591 8.591 8.406 0.185 19108 20924 1 24 . 1 1 17 17 ILE N N 17 122.675 122.675 119.033 3.642 19108 20925 1 24 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.663 -0.179 19108 20926 1 24 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.532 -1.306 19108 20927 1 24 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.994 -0.897 19108 20928 1 24 . 1 1 17 17 ILE H H 17 7.558 7.558 8.125 -0.567 19108 20929 1 24 . 1 1 18 18 PHE N N 18 120.513 120.513 121.332 -0.819 19108 20930 1 24 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.293 -0.290 19108 20931 1 24 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.151 0.653 19108 20932 1 24 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.404 0.236 19108 20933 1 24 . 1 1 18 18 PHE H H 18 7.831 7.831 8.865 -1.034 19108 20934 1 24 . 1 1 19 19 THR N N 19 114.555 114.555 114.177 0.378 19108 20935 1 24 . 1 1 19 19 THR HA H 19 3.657 3.657 4.235 -0.578 19108 20936 1 24 . 1 1 19 19 THR CA C 19 66.485 66.485 65.941 0.544 19108 20937 1 24 . 1 1 19 19 THR CB C 19 68.345 68.345 68.162 0.183 19108 20938 1 24 . 1 1 19 19 THR H H 19 9.036 9.036 8.592 0.444 19108 20939 1 24 . 1 1 20 20 SER N N 20 113.030 113.030 117.549 -4.519 19108 20940 1 24 . 1 1 20 20 SER HA H 20 4.062 4.062 4.004 0.058 19108 20941 1 24 . 1 1 20 20 SER CA C 20 60.610 60.610 61.287 -0.677 19108 20942 1 24 . 1 1 20 20 SER CB C 20 63.843 63.843 62.367 1.476 19108 20943 1 24 . 1 1 20 20 SER H H 20 7.809 7.809 8.257 -0.448 19108 20944 1 24 . 1 1 21 21 ASN N N 21 115.629 115.629 121.003 -5.374 19108 20945 1 24 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.045 0.366 19108 20946 1 24 . 1 1 21 21 ASN CA C 21 56.989 56.989 56.029 0.960 19108 20947 1 24 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.028 3.552 19108 20948 1 24 . 1 1 21 21 ASN H H 21 7.362 7.362 7.482 -0.120 19108 20949 1 24 . 1 1 22 22 PHE N N 22 117.773 117.773 114.118 3.655 19108 20950 1 24 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.629 -0.356 19108 20951 1 24 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.286 -0.826 19108 20952 1 24 . 1 1 22 22 PHE CB C 22 37.830 37.830 37.853 -0.023 19108 20953 1 24 . 1 1 22 22 PHE H H 22 8.296 8.296 7.577 0.719 19108 20954 1 24 . 1 1 23 23 ASN N N 23 115.026 115.026 121.315 -6.289 19108 20955 1 24 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.513 0.016 19108 20956 1 24 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.050 0.592 19108 20957 1 24 . 1 1 23 23 ASN CB C 23 36.623 36.623 37.270 -0.647 19108 20958 1 24 . 1 1 23 23 ASN H H 23 6.097 6.097 7.704 -1.607 19108 20959 1 24 . 1 1 24 24 ASN N N 24 122.900 122.900 119.631 3.269 19108 20960 1 24 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.512 -0.079 19108 20961 1 24 . 1 1 24 24 ASN CA C 24 53.273 53.273 55.280 -2.007 19108 20962 1 24 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.419 0.473 19108 20963 1 24 . 1 1 24 24 ASN H H 24 7.083 7.083 8.621 -1.538 19108 20964 1 24 . 1 1 25 25 GLY N N 25 105.587 105.587 108.937 -3.350 19108 20965 1 24 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.886 -0.021 19108 20966 1 24 . 1 1 25 25 GLY H H 25 8.520 8.520 8.441 0.079 19108 20967 1 24 . 1 1 26 26 ILE N N 26 120.182 120.182 119.815 0.367 19108 20968 1 24 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.325 -0.151 19108 20969 1 24 . 1 1 26 26 ILE CA C 26 60.443 60.443 58.796 1.647 19108 20970 1 24 . 1 1 26 26 ILE CB C 26 40.515 40.515 41.160 -0.645 19108 20971 1 24 . 1 1 26 26 ILE H H 26 6.944 6.944 7.592 -0.648 19108 20972 1 24 . 1 1 27 27 GLY N N 27 111.665 111.665 107.722 3.943 19108 20973 1 24 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.249 0.070 19108 20974 1 24 . 1 1 27 27 GLY H H 27 8.457 8.457 8.528 -0.071 19108 20975 1 24 . 1 1 28 28 ARG N N 28 117.565 117.565 122.138 -4.573 19108 20976 1 24 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.834 -2.269 19108 20977 1 24 . 1 1 28 28 ARG H H 28 6.741 6.741 7.907 -1.166 19108 20978 1 24 . 1 1 29 29 HIS CA C 29 58.003 58.003 54.480 3.523 19108 20979 1 24 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.166 1.878 19108 20980 1 24 . 1 1 29 29 HIS H H 29 8.636 8.636 8.869 -0.233 19108 20981 1 24 . 1 1 30 30 LYS N N 30 119.344 119.344 123.512 -4.168 19108 20982 1 24 . 1 1 30 30 LYS HA H 30 4.421 4.421 3.858 0.563 19108 20983 1 24 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.100 1.764 19108 20984 1 24 . 1 1 30 30 LYS CB C 30 35.191 35.191 30.457 4.734 19108 20985 1 24 . 1 1 30 30 LYS H H 30 7.870 7.870 7.745 0.125 19108 20986 1 24 . 1 1 31 31 THR N N 31 118.233 118.233 113.529 4.704 19108 20987 1 24 . 1 1 31 31 THR HA H 31 4.125 4.125 3.807 0.318 19108 20988 1 24 . 1 1 31 31 THR CA C 31 63.175 63.175 63.299 -0.124 19108 20989 1 24 . 1 1 31 31 THR H H 31 8.436 8.436 7.444 0.992 19108 20990 1 24 . 1 1 32 32 TYR N N 32 124.026 124.026 127.570 -3.544 19108 20991 1 24 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.015 -0.079 19108 20992 1 24 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.236 0.265 19108 20993 1 24 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.812 2.592 19108 20994 1 24 . 1 1 32 32 TYR H H 32 8.244 8.244 8.974 -0.730 19108 20995 1 24 . 1 1 33 33 LEU N N 33 125.428 125.428 125.442 -0.014 19108 20996 1 24 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.214 -0.135 19108 20997 1 24 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.150 1.688 19108 20998 1 24 . 1 1 33 33 LEU CB C 33 46.984 46.984 44.981 2.003 19108 20999 1 24 . 1 1 33 33 LEU H H 33 9.232 9.232 8.440 0.792 19108 21000 1 24 . 1 1 34 34 CYS N N 34 125.975 125.975 126.441 -0.466 19108 21001 1 24 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.959 0.047 19108 21002 1 24 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.805 0.340 19108 21003 1 24 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.110 1.192 19108 21004 1 24 . 1 1 34 34 CYS H H 34 9.640 9.640 8.859 0.781 19108 21005 1 24 . 1 1 35 35 TYR N N 35 121.183 121.183 122.675 -1.492 19108 21006 1 24 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.685 0.803 19108 21007 1 24 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.827 -0.045 19108 21008 1 24 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.869 2.221 19108 21009 1 24 . 1 1 35 35 TYR H H 35 9.094 9.094 8.826 0.268 19108 21010 1 24 . 1 1 36 36 GLU N N 36 115.538 115.538 121.932 -6.394 19108 21011 1 24 . 1 1 36 36 GLU HA H 36 5.435 5.435 5.031 0.404 19108 21012 1 24 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.046 0.345 19108 21013 1 24 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.808 -0.264 19108 21014 1 24 . 1 1 36 36 GLU H H 36 8.977 8.977 8.621 0.356 19108 21015 1 24 . 1 1 37 37 VAL N N 37 121.600 121.600 125.638 -4.038 19108 21016 1 24 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.485 0.674 19108 21017 1 24 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.477 0.571 19108 21018 1 24 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.008 2.062 19108 21019 1 24 . 1 1 37 37 VAL H H 37 9.271 9.271 8.971 0.300 19108 21020 1 24 . 1 1 38 38 GLU N N 38 125.227 125.227 126.798 -1.571 19108 21021 1 24 . 1 1 38 38 GLU HA H 38 5.218 5.218 4.987 0.231 19108 21022 1 24 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.218 -0.966 19108 21023 1 24 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.130 1.797 19108 21024 1 24 . 1 1 38 38 GLU H H 38 9.114 9.114 8.747 0.367 19108 21025 1 24 . 1 1 39 39 ARG N N 39 124.872 124.872 125.279 -0.407 19108 21026 1 24 . 1 1 39 39 ARG HA H 39 5.365 5.365 3.920 1.445 19108 21027 1 24 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.797 -0.550 19108 21028 1 24 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.738 0.827 19108 21029 1 24 . 1 1 39 39 ARG H H 39 9.215 9.215 8.285 0.930 19108 21030 1 24 . 1 1 40 40 LEU N N 40 126.510 126.510 125.188 1.322 19108 21031 1 24 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.424 0.329 19108 21032 1 24 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.484 -0.161 19108 21033 1 24 . 1 1 40 40 LEU CB C 40 40.843 40.843 44.263 -3.420 19108 21034 1 24 . 1 1 40 40 LEU H H 40 8.659 8.659 7.675 0.984 19108 21035 1 24 . 1 1 41 41 ASP N N 41 124.410 124.410 122.892 1.518 19108 21036 1 24 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.781 0.012 19108 21037 1 24 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.682 -0.464 19108 21038 1 24 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.627 -0.894 19108 21039 1 24 . 1 1 41 41 ASP H H 41 8.575 8.575 8.224 0.351 19108 21040 1 24 . 1 1 42 42 ASN N N 42 123.319 123.319 122.154 1.165 19108 21041 1 24 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.346 0.074 19108 21042 1 24 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.566 0.606 19108 21043 1 24 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.119 -0.272 19108 21044 1 24 . 1 1 42 42 ASN H H 42 9.048 9.048 8.943 0.105 19108 21045 1 24 . 1 1 43 43 GLY N N 43 106.044 106.044 102.779 3.265 19108 21046 1 24 . 1 1 43 43 GLY CA C 43 45.394 45.394 46.146 -0.752 19108 21047 1 24 . 1 1 43 43 GLY H H 43 8.548 8.548 8.341 0.207 19108 21048 1 24 . 1 1 44 44 THR N N 44 115.893 115.893 120.762 -4.869 19108 21049 1 24 . 1 1 44 44 THR HA H 44 4.524 4.524 4.238 0.286 19108 21050 1 24 . 1 1 44 44 THR CA C 44 61.285 61.285 63.120 -1.835 19108 21051 1 24 . 1 1 44 44 THR CB C 44 70.572 70.572 68.515 2.057 19108 21052 1 24 . 1 1 44 44 THR H H 44 7.833 7.833 7.770 0.063 19108 21053 1 24 . 1 1 45 45 SER N N 45 119.589 119.589 122.405 -2.816 19108 21054 1 24 . 1 1 45 45 SER HA H 45 4.804 4.804 4.502 0.302 19108 21055 1 24 . 1 1 45 45 SER CA C 45 58.080 58.080 59.189 -1.109 19108 21056 1 24 . 1 1 45 45 SER CB C 45 64.265 64.265 64.018 0.247 19108 21057 1 24 . 1 1 45 45 SER H H 45 8.590 8.590 8.303 0.287 19108 21058 1 24 . 1 1 46 46 VAL N N 46 125.827 125.827 125.657 0.170 19108 21059 1 24 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.309 -0.016 19108 21060 1 24 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.948 0.895 19108 21061 1 24 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.741 0.776 19108 21062 1 24 . 1 1 46 46 VAL H H 46 9.034 9.034 8.826 0.208 19108 21063 1 24 . 1 1 47 47 LYS N N 47 126.528 126.528 125.365 1.163 19108 21064 1 24 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.369 -0.084 19108 21065 1 24 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.083 1.582 19108 21066 1 24 . 1 1 47 47 LYS CB C 47 32.792 32.792 32.923 -0.131 19108 21067 1 24 . 1 1 47 47 LYS H H 47 8.738 8.738 8.260 0.478 19108 21068 1 24 . 1 1 48 48 MET N N 48 122.645 122.645 124.341 -1.696 19108 21069 1 24 . 1 1 48 48 MET HA H 48 5.195 5.195 4.604 0.591 19108 21070 1 24 . 1 1 48 48 MET CA C 48 54.747 54.747 56.020 -1.273 19108 21071 1 24 . 1 1 48 48 MET CB C 48 32.379 32.379 33.593 -1.214 19108 21072 1 24 . 1 1 48 48 MET H H 48 8.334 8.334 8.161 0.173 19108 21073 1 24 . 1 1 49 49 ASP N N 49 123.713 123.713 120.430 3.283 19108 21074 1 24 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.437 -0.013 19108 21075 1 24 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.299 0.311 19108 21076 1 24 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.738 0.296 19108 21077 1 24 . 1 1 49 49 ASP H H 49 8.575 8.575 8.715 -0.140 19108 21078 1 24 . 1 1 50 50 GLN N N 50 117.540 117.540 120.026 -2.486 19108 21079 1 24 . 1 1 50 50 GLN H H 50 9.110 9.110 8.282 0.828 19108 21080 1 24 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.827 0.324 19108 21081 1 24 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.547 -1.713 19108 21082 1 24 . 1 1 51 51 HIS H H 51 8.031 8.031 8.080 -0.049 19108 21083 1 24 . 1 1 52 52 ARG N N 52 117.888 117.888 120.570 -2.682 19108 21084 1 24 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.863 0.374 19108 21085 1 24 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.034 0.021 19108 21086 1 24 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.179 1.875 19108 21087 1 24 . 1 1 52 52 ARG H H 52 7.685 7.685 7.586 0.099 19108 21088 1 24 . 1 1 53 53 GLY N N 53 108.573 108.573 110.148 -1.575 19108 21089 1 24 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.356 1.352 19108 21090 1 24 . 1 1 53 53 GLY H H 53 7.529 7.529 7.508 0.021 19108 21091 1 24 . 1 1 54 54 PHE N N 54 113.146 113.146 116.618 -3.472 19108 21092 1 24 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.668 0.327 19108 21093 1 24 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.123 0.733 19108 21094 1 24 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.766 2.597 19108 21095 1 24 . 1 1 54 54 PHE H H 54 8.287 8.287 7.712 0.575 19108 21096 1 24 . 1 1 55 55 LEU N N 55 119.389 119.389 120.282 -0.893 19108 21097 1 24 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.234 0.461 19108 21098 1 24 . 1 1 55 55 LEU CA C 55 53.712 53.712 52.625 1.087 19108 21099 1 24 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.222 1.406 19108 21100 1 24 . 1 1 55 55 LEU H H 55 9.452 9.452 8.422 1.030 19108 21101 1 24 . 1 1 56 56 HIS N N 56 114.176 114.176 114.384 -0.208 19108 21102 1 24 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.308 0.131 19108 21103 1 24 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.376 0.089 19108 21104 1 24 . 1 1 56 56 HIS CB C 56 31.467 31.467 33.094 -1.627 19108 21105 1 24 . 1 1 56 56 HIS H H 56 7.709 7.709 7.515 0.194 19108 21106 1 24 . 1 1 57 57 ASN N N 57 116.522 116.522 120.184 -3.662 19108 21107 1 24 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.753 -0.338 19108 21108 1 24 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.861 0.323 19108 21109 1 24 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.710 -1.048 19108 21110 1 24 . 1 1 57 57 ASN H H 57 8.684 8.684 8.102 0.582 19108 21111 1 24 . 1 1 58 58 GLN N N 58 122.850 122.850 122.138 0.712 19108 21112 1 24 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.118 0.271 19108 21113 1 24 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.224 -2.372 19108 21114 1 24 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.473 1.909 19108 21115 1 24 . 1 1 58 58 GLN H H 58 9.099 9.099 8.316 0.783 19108 21116 1 24 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.489 -0.189 19108 21117 1 24 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.889 0.615 19108 21118 1 24 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.460 -0.039 19108 21119 1 24 . 1 1 60 60 LYS N N 60 119.998 119.998 119.205 0.793 19108 21120 1 24 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.631 0.145 19108 21121 1 24 . 1 1 60 60 LYS CA C 60 56.301 56.301 58.494 -2.193 19108 21122 1 24 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.610 1.206 19108 21123 1 24 . 1 1 60 60 LYS H H 60 8.344 8.344 8.884 -0.540 19108 21124 1 24 . 1 1 61 61 ASN N N 61 119.688 119.688 116.755 2.933 19108 21125 1 24 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.532 -0.077 19108 21126 1 24 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.778 -0.874 19108 21127 1 24 . 1 1 61 61 ASN CB C 61 38.537 38.537 37.981 0.556 19108 21128 1 24 . 1 1 61 61 ASN H H 61 8.643 8.643 8.328 0.315 19108 21129 1 24 . 1 1 62 62 LEU N N 62 124.761 124.761 116.286 8.475 19108 21130 1 24 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.267 -0.333 19108 21131 1 24 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.206 0.038 19108 21132 1 24 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.080 -0.137 19108 21133 1 24 . 1 1 62 62 LEU H H 62 8.873 8.873 8.104 0.769 19108 21134 1 24 . 1 1 63 63 LEU N N 63 120.312 120.312 119.136 1.176 19108 21135 1 24 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.179 0.020 19108 21136 1 24 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.683 -0.606 19108 21137 1 24 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.487 -0.230 19108 21138 1 24 . 1 1 63 63 LEU H H 63 8.145 8.145 7.585 0.560 19108 21139 1 24 . 1 1 64 64 CYS N N 64 113.898 113.898 114.407 -0.509 19108 21140 1 24 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.621 -0.450 19108 21141 1 24 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.341 -1.557 19108 21142 1 24 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.905 -1.187 19108 21143 1 24 . 1 1 64 64 CYS H H 64 7.376 7.376 7.937 -0.561 19108 21144 1 24 . 1 1 65 65 GLY N N 65 108.894 108.894 109.223 -0.329 19108 21145 1 24 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.783 0.200 19108 21146 1 24 . 1 1 65 65 GLY H H 65 7.789 7.789 8.456 -0.667 19108 21147 1 24 . 1 1 66 66 PHE N N 66 118.711 118.711 118.589 0.122 19108 21148 1 24 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.395 -0.478 19108 21149 1 24 . 1 1 66 66 PHE CA C 66 55.940 55.940 58.384 -2.444 19108 21150 1 24 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.257 1.011 19108 21151 1 24 . 1 1 66 66 PHE H H 66 7.699 7.699 7.591 0.108 19108 21152 1 24 . 1 1 67 67 TYR N N 67 124.623 124.623 114.185 10.438 19108 21153 1 24 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.803 -0.503 19108 21154 1 24 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.431 2.333 19108 21155 1 24 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.554 -1.401 19108 21156 1 24 . 1 1 67 67 TYR H H 67 8.568 8.568 7.110 1.458 19108 21157 1 24 . 1 1 69 69 ARG N N 69 121.427 121.427 121.404 0.023 19108 21158 1 24 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.267 2.790 19108 21159 1 24 . 1 1 69 69 ARG CB C 69 32.296 32.296 30.939 1.357 19108 21160 1 24 . 1 1 69 69 ARG H H 69 8.313 8.313 8.019 0.294 19108 21161 1 24 . 1 1 70 70 HIS N N 70 128.351 128.351 119.569 8.782 19108 21162 1 24 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.663 0.119 19108 21163 1 24 . 1 1 70 70 HIS CA C 70 56.716 56.716 57.680 -0.964 19108 21164 1 24 . 1 1 70 70 HIS CB C 70 31.776 31.776 31.146 0.630 19108 21165 1 24 . 1 1 70 70 HIS H H 70 9.182 9.182 8.778 0.404 19108 21166 1 24 . 1 1 71 71 ALA N N 71 125.649 125.649 126.532 -0.883 19108 21167 1 24 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.997 -0.640 19108 21168 1 24 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.385 0.397 19108 21169 1 24 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.872 -0.862 19108 21170 1 24 . 1 1 71 71 ALA H H 71 8.968 8.968 9.167 -0.199 19108 21171 1 24 . 1 1 72 72 GLU N N 72 119.941 119.941 118.340 1.601 19108 21172 1 24 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.843 -0.866 19108 21173 1 24 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.165 1.791 19108 21174 1 24 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.308 -1.302 19108 21175 1 24 . 1 1 72 72 GLU H H 72 12.692 12.692 8.527 4.165 19108 21176 1 24 . 1 1 73 73 LEU N N 73 114.882 114.882 120.578 -5.696 19108 21177 1 24 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.015 -0.430 19108 21178 1 24 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.112 -1.451 19108 21179 1 24 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.620 -2.375 19108 21180 1 24 . 1 1 73 73 LEU H H 73 6.637 6.637 8.015 -1.378 19108 21181 1 24 . 1 1 74 74 ARG N N 74 117.799 117.799 117.871 -0.072 19108 21182 1 24 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.877 0.165 19108 21183 1 24 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.819 -0.644 19108 21184 1 24 . 1 1 74 74 ARG H H 74 7.556 7.556 7.750 -0.194 19108 21185 1 24 . 1 1 75 75 PHE N N 75 119.783 119.783 119.311 0.472 19108 21186 1 24 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.342 -0.781 19108 21187 1 24 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.675 1.999 19108 21188 1 24 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.374 -1.336 19108 21189 1 24 . 1 1 75 75 PHE H H 75 8.233 8.233 7.628 0.605 19108 21190 1 24 . 1 1 76 76 LEU N N 76 119.526 119.526 120.666 -1.140 19108 21191 1 24 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.568 -0.010 19108 21192 1 24 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.412 0.627 19108 21193 1 24 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.889 -2.873 19108 21194 1 24 . 1 1 76 76 LEU H H 76 7.629 7.629 8.286 -0.657 19108 21195 1 24 . 1 1 77 77 ASP N N 77 118.215 118.215 117.380 0.835 19108 21196 1 24 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.499 -0.341 19108 21197 1 24 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.502 -0.102 19108 21198 1 24 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.180 -0.812 19108 21199 1 24 . 1 1 77 77 ASP H H 77 8.190 8.190 7.803 0.387 19108 21200 1 24 . 1 1 78 78 LEU N N 78 117.496 117.496 119.029 -1.533 19108 21201 1 24 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.205 0.085 19108 21202 1 24 . 1 1 78 78 LEU CA C 78 54.985 54.985 56.968 -1.983 19108 21203 1 24 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.293 0.108 19108 21204 1 24 . 1 1 78 78 LEU H H 78 7.252 7.252 7.424 -0.172 19108 21205 1 24 . 1 1 79 79 VAL N N 79 120.915 120.915 122.237 -1.322 19108 21206 1 24 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.514 -0.291 19108 21207 1 24 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.227 0.301 19108 21208 1 24 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.490 0.630 19108 21209 1 24 . 1 1 79 79 VAL H H 79 7.179 7.179 7.426 -0.247 19108 21210 1 24 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.225 -0.250 19108 21211 1 24 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.712 1.075 19108 21212 1 24 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.972 -1.164 19108 21213 1 24 . 1 1 81 81 SER N N 81 112.727 112.727 112.566 0.161 19108 21214 1 24 . 1 1 81 81 SER HA H 81 4.314 4.314 4.250 0.064 19108 21215 1 24 . 1 1 81 81 SER CA C 81 60.618 60.618 60.720 -0.102 19108 21216 1 24 . 1 1 81 81 SER CB C 81 63.450 63.450 63.606 -0.156 19108 21217 1 24 . 1 1 81 81 SER H H 81 7.828 7.828 7.846 -0.018 19108 21218 1 24 . 1 1 82 82 LEU N N 82 120.918 120.918 119.519 1.399 19108 21219 1 24 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.348 -0.474 19108 21220 1 24 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.769 -0.277 19108 21221 1 24 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.540 -2.329 19108 21222 1 24 . 1 1 82 82 LEU H H 82 7.912 7.912 7.949 -0.037 19108 21223 1 24 . 1 1 83 83 GLN N N 83 111.397 111.397 113.494 -2.097 19108 21224 1 24 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.895 -0.087 19108 21225 1 24 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.715 0.451 19108 21226 1 24 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.020 0.648 19108 21227 1 24 . 1 1 83 83 GLN H H 83 7.458 7.458 7.590 -0.132 19108 21228 1 24 . 1 1 84 84 LEU N N 84 118.520 118.520 119.478 -0.958 19108 21229 1 24 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.039 -0.320 19108 21230 1 24 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.632 -0.890 19108 21231 1 24 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.444 -2.199 19108 21232 1 24 . 1 1 84 84 LEU H H 84 8.736 8.736 8.167 0.569 19108 21233 1 24 . 1 1 85 85 ASP N N 85 126.187 126.187 123.186 3.001 19108 21234 1 24 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.552 0.331 19108 21235 1 24 . 1 1 85 85 ASP CA C 85 51.346 51.346 53.358 -2.012 19108 21236 1 24 . 1 1 85 85 ASP CB C 85 42.948 42.948 40.542 2.406 19108 21237 1 24 . 1 1 85 85 ASP H H 85 8.415 8.415 8.485 -0.070 19108 21238 1 24 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.863 0.065 19108 21239 1 24 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.035 -0.397 19108 21240 1 24 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.688 -0.402 19108 21241 1 24 . 1 1 87 87 ALA N N 87 121.030 121.030 121.082 -0.052 19108 21242 1 24 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.044 0.374 19108 21243 1 24 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.850 -1.678 19108 21244 1 24 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.581 0.767 19108 21245 1 24 . 1 1 87 87 ALA H H 87 8.504 8.504 8.132 0.372 19108 21246 1 24 . 1 1 88 88 GLN N N 88 119.601 119.601 117.185 2.416 19108 21247 1 24 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.259 0.263 19108 21248 1 24 . 1 1 88 88 GLN CA C 88 53.434 53.434 55.857 -2.423 19108 21249 1 24 . 1 1 88 88 GLN CB C 88 30.049 30.049 29.059 0.990 19108 21250 1 24 . 1 1 88 88 GLN H H 88 8.125 8.125 8.130 -0.005 19108 21251 1 24 . 1 1 89 89 ILE N N 89 118.195 118.195 117.844 0.351 19108 21252 1 24 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.355 0.614 19108 21253 1 24 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.230 0.311 19108 21254 1 24 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.089 1.163 19108 21255 1 24 . 1 1 89 89 ILE H H 89 8.099 8.099 8.278 -0.179 19108 21256 1 24 . 1 1 90 90 TYR N N 90 122.421 122.421 122.563 -0.142 19108 21257 1 24 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.932 0.429 19108 21258 1 24 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.208 -1.168 19108 21259 1 24 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.711 -0.885 19108 21260 1 24 . 1 1 90 90 TYR H H 90 8.892 8.892 8.065 0.827 19108 21261 1 24 . 1 1 91 91 ARG N N 91 121.043 121.043 120.444 0.599 19108 21262 1 24 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.865 0.378 19108 21263 1 24 . 1 1 91 91 ARG CA C 91 54.535 54.535 56.312 -1.777 19108 21264 1 24 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.585 -0.453 19108 21265 1 24 . 1 1 91 91 ARG H H 91 9.327 9.327 8.629 0.698 19108 21266 1 24 . 1 1 92 92 VAL N N 92 132.287 132.287 129.489 2.798 19108 21267 1 24 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.861 0.063 19108 21268 1 24 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.727 -0.822 19108 21269 1 24 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.227 -0.374 19108 21270 1 24 . 1 1 92 92 VAL H H 92 9.668 9.668 8.427 1.241 19108 21271 1 24 . 1 1 93 93 THR N N 93 124.468 124.468 125.151 -0.683 19108 21272 1 24 . 1 1 93 93 THR HA H 93 5.264 5.264 4.601 0.663 19108 21273 1 24 . 1 1 93 93 THR CA C 93 61.616 61.616 62.595 -0.979 19108 21274 1 24 . 1 1 93 93 THR CB C 93 70.082 70.082 69.725 0.357 19108 21275 1 24 . 1 1 93 93 THR H H 93 9.381 9.381 9.328 0.053 19108 21276 1 24 . 1 1 94 94 TRP N N 94 124.491 124.491 127.724 -3.233 19108 21277 1 24 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.967 0.699 19108 21278 1 24 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.072 -2.867 19108 21279 1 24 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.254 2.414 19108 21280 1 24 . 1 1 94 94 TRP H H 94 9.071 9.071 9.180 -0.109 19108 21281 1 24 . 1 1 95 95 PHE N N 95 122.179 122.179 122.812 -0.633 19108 21282 1 24 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.996 0.674 19108 21283 1 24 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.202 -0.428 19108 21284 1 24 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.566 -1.117 19108 21285 1 24 . 1 1 95 95 PHE H H 95 9.578 9.578 8.408 1.170 19108 21286 1 24 . 1 1 96 96 ILE N N 96 125.072 125.072 122.214 2.858 19108 21287 1 24 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.381 0.592 19108 21288 1 24 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.649 -1.222 19108 21289 1 24 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.731 4.342 19108 21290 1 24 . 1 1 96 96 ILE H H 96 9.816 9.816 8.870 0.946 19108 21291 1 24 . 1 1 97 97 SER N N 97 124.020 124.020 118.565 5.455 19108 21292 1 24 . 1 1 97 97 SER HA H 97 3.623 3.623 4.849 -1.226 19108 21293 1 24 . 1 1 97 97 SER CA C 97 61.750 61.750 59.966 1.784 19108 21294 1 24 . 1 1 97 97 SER CB C 97 63.711 63.711 64.211 -0.500 19108 21295 1 24 . 1 1 97 97 SER H H 97 9.156 9.156 8.414 0.742 19108 21296 1 24 . 1 1 98 98 TRP N N 98 114.829 114.829 121.846 -7.017 19108 21297 1 24 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.212 0.127 19108 21298 1 24 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.182 -2.511 19108 21299 1 24 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.345 3.406 19108 21300 1 24 . 1 1 98 98 TRP H H 98 6.619 6.619 7.849 -1.230 19108 21301 1 24 . 1 1 99 99 SER N N 99 115.444 115.444 119.907 -4.463 19108 21302 1 24 . 1 1 99 99 SER CA C 99 58.045 58.045 57.379 0.666 19108 21303 1 24 . 1 1 99 99 SER CB C 99 61.927 61.927 64.098 -2.171 19108 21304 1 24 . 1 1 99 99 SER H H 99 8.590 8.590 8.282 0.308 19108 21305 1 24 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.725 -0.800 19108 21306 1 24 . 1 1 100 100 PRO CB C 100 34.796 34.796 33.229 1.567 19108 21307 1 24 . 1 1 101 101 CYS N N 101 121.768 121.768 116.015 5.753 19108 21308 1 24 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.278 2.381 19108 21309 1 24 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.087 1.102 19108 21310 1 24 . 1 1 101 101 CYS H H 101 8.686 8.686 8.136 0.550 19108 21311 1 24 . 1 1 102 102 PHE N N 102 115.031 115.031 122.099 -7.068 19108 21312 1 24 . 1 1 102 102 PHE CA C 102 58.960 58.960 58.483 0.477 19108 21313 1 24 . 1 1 102 102 PHE CB C 102 40.157 40.157 39.425 0.732 19108 21314 1 24 . 1 1 102 102 PHE H H 102 9.318 9.318 8.679 0.639 19108 21315 1 24 . 1 1 103 103 SER N N 103 119.552 119.552 122.479 -2.927 19108 21316 1 24 . 1 1 103 103 SER HA H 103 3.713 3.713 4.179 -0.466 19108 21317 1 24 . 1 1 103 103 SER CA C 103 63.368 63.368 60.990 2.378 19108 21318 1 24 . 1 1 103 103 SER CB C 103 60.539 60.539 63.395 -2.856 19108 21319 1 24 . 1 1 103 103 SER H H 103 10.858 10.858 9.075 1.783 19108 21320 1 24 . 1 1 104 104 TRP N N 104 117.909 117.909 121.365 -3.456 19108 21321 1 24 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.754 -0.978 19108 21322 1 24 . 1 1 104 104 TRP CA C 104 59.214 59.214 57.966 1.248 19108 21323 1 24 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.943 -1.057 19108 21324 1 24 . 1 1 104 104 TRP H H 104 7.880 7.880 8.230 -0.350 19108 21325 1 24 . 1 1 105 105 GLY N N 105 106.359 106.359 108.754 -2.395 19108 21326 1 24 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.014 -0.933 19108 21327 1 24 . 1 1 105 105 GLY H H 105 7.468 7.468 9.008 -1.540 19108 21328 1 24 . 1 1 106 106 CYS N N 106 120.359 120.359 120.795 -0.436 19108 21329 1 24 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.379 -0.520 19108 21330 1 24 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.160 3.942 19108 21331 1 24 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.376 2.342 19108 21332 1 24 . 1 1 106 106 CYS H H 106 7.366 7.366 7.902 -0.536 19108 21333 1 24 . 1 1 107 107 ALA N N 107 119.725 119.725 122.138 -2.413 19108 21334 1 24 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.099 -0.234 19108 21335 1 24 . 1 1 107 107 ALA CA C 107 56.934 56.934 54.872 2.062 19108 21336 1 24 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.327 0.116 19108 21337 1 24 . 1 1 107 107 ALA H H 107 8.719 8.719 8.655 0.064 19108 21338 1 24 . 1 1 108 108 GLY N N 108 103.829 103.829 106.982 -3.153 19108 21339 1 24 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.160 -0.266 19108 21340 1 24 . 1 1 108 108 GLY H H 108 8.555 8.555 8.386 0.169 19108 21341 1 24 . 1 1 109 109 GLU N N 109 123.162 123.162 122.220 0.942 19108 21342 1 24 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.111 0.155 19108 21343 1 24 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.410 -0.118 19108 21344 1 24 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.311 1.071 19108 21345 1 24 . 1 1 109 109 GLU H H 109 8.023 8.023 7.806 0.217 19108 21346 1 24 . 1 1 110 110 VAL N N 110 121.866 121.866 119.994 1.872 19108 21347 1 24 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.777 -0.078 19108 21348 1 24 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.169 0.874 19108 21349 1 24 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.293 -0.287 19108 21350 1 24 . 1 1 110 110 VAL H H 110 8.942 8.942 7.818 1.124 19108 21351 1 24 . 1 1 111 111 ARG N N 111 120.587 120.587 120.897 -0.310 19108 21352 1 24 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.839 -0.053 19108 21353 1 24 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.671 0.410 19108 21354 1 24 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.904 -0.729 19108 21355 1 24 . 1 1 111 111 ARG H H 111 8.653 8.653 8.531 0.122 19108 21356 1 24 . 1 1 112 112 ALA N N 112 120.687 120.687 120.828 -0.141 19108 21357 1 24 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.178 -0.044 19108 21358 1 24 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.998 0.420 19108 21359 1 24 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.063 -0.072 19108 21360 1 24 . 1 1 112 112 ALA H H 112 7.875 7.875 8.594 -0.719 19108 21361 1 24 . 1 1 113 113 PHE N N 113 118.950 118.950 119.483 -0.533 19108 21362 1 24 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.383 -0.046 19108 21363 1 24 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.376 0.000 19108 21364 1 24 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.524 -0.137 19108 21365 1 24 . 1 1 113 113 PHE H H 113 8.139 8.139 7.648 0.491 19108 21366 1 24 . 1 1 114 114 LEU N N 114 120.595 120.595 120.619 -0.024 19108 21367 1 24 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.837 -0.037 19108 21368 1 24 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.013 -0.880 19108 21369 1 24 . 1 1 114 114 LEU CB C 114 40.909 40.909 42.244 -1.335 19108 21370 1 24 . 1 1 114 114 LEU H H 114 8.639 8.639 8.333 0.306 19108 21371 1 24 . 1 1 115 115 GLN N N 115 117.666 117.666 114.964 2.702 19108 21372 1 24 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.029 -0.006 19108 21373 1 24 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.020 0.366 19108 21374 1 24 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.425 0.113 19108 21375 1 24 . 1 1 115 115 GLN H H 115 8.167 8.167 8.283 -0.116 19108 21376 1 24 . 1 1 116 116 GLU N N 116 115.380 115.380 118.724 -3.344 19108 21377 1 24 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.279 0.043 19108 21378 1 24 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.464 0.598 19108 21379 1 24 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.706 0.009 19108 21380 1 24 . 1 1 116 116 GLU H H 116 7.448 7.448 7.820 -0.372 19108 21381 1 24 . 1 1 117 117 ASN N N 117 119.831 119.831 116.418 3.413 19108 21382 1 24 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.758 0.307 19108 21383 1 24 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.508 -0.323 19108 21384 1 24 . 1 1 117 117 ASN CB C 117 38.246 38.246 38.640 -0.394 19108 21385 1 24 . 1 1 117 117 ASN H H 117 7.632 7.632 7.968 -0.336 19108 21386 1 24 . 1 1 118 118 THR N N 118 111.041 111.041 115.541 -4.500 19108 21387 1 24 . 1 1 118 118 THR HA H 118 4.317 4.317 4.030 0.287 19108 21388 1 24 . 1 1 118 118 THR CA C 118 64.081 64.081 63.307 0.774 19108 21389 1 24 . 1 1 118 118 THR CB C 118 68.767 68.767 68.963 -0.196 19108 21390 1 24 . 1 1 118 118 THR H H 118 8.054 8.054 7.659 0.395 19108 21391 1 24 . 1 1 119 119 HIS N N 119 120.403 120.403 114.963 5.440 19108 21392 1 24 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.597 -0.308 19108 21393 1 24 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.772 0.829 19108 21394 1 24 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.483 0.837 19108 21395 1 24 . 1 1 119 119 HIS H H 119 9.248 9.248 8.078 1.170 19108 21396 1 24 . 1 1 120 120 VAL N N 120 120.001 120.001 117.339 2.662 19108 21397 1 24 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.377 0.149 19108 21398 1 24 . 1 1 120 120 VAL CA C 120 61.890 61.890 58.898 2.992 19108 21399 1 24 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.532 -1.537 19108 21400 1 24 . 1 1 120 120 VAL H H 120 7.379 7.379 7.485 -0.106 19108 21401 1 24 . 1 1 121 121 ARG N N 121 125.312 125.312 126.494 -1.182 19108 21402 1 24 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.429 0.381 19108 21403 1 24 . 1 1 121 121 ARG CA C 121 53.067 53.067 53.998 -0.931 19108 21404 1 24 . 1 1 121 121 ARG CB C 121 30.580 30.580 29.829 0.751 19108 21405 1 24 . 1 1 121 121 ARG H H 121 8.775 8.775 8.155 0.620 19108 21406 1 24 . 1 1 122 122 LEU N N 122 125.483 125.483 127.904 -2.421 19108 21407 1 24 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.602 0.558 19108 21408 1 24 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.598 -0.297 19108 21409 1 24 . 1 1 122 122 LEU CB C 122 46.672 46.672 42.782 3.890 19108 21410 1 24 . 1 1 122 122 LEU H H 122 9.345 9.345 8.546 0.799 19108 21411 1 24 . 1 1 123 123 ARG N N 123 127.748 127.748 126.987 0.761 19108 21412 1 24 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.380 0.356 19108 21413 1 24 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.755 -0.588 19108 21414 1 24 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.411 0.401 19108 21415 1 24 . 1 1 123 123 ARG H H 123 9.053 9.053 8.154 0.899 19108 21416 1 24 . 1 1 124 124 ILE N N 124 123.665 123.665 123.985 -0.320 19108 21417 1 24 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.108 0.334 19108 21418 1 24 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.584 0.175 19108 21419 1 24 . 1 1 124 124 ILE CB C 124 41.893 41.893 41.098 0.795 19108 21420 1 24 . 1 1 124 124 ILE H H 124 9.019 9.019 8.537 0.482 19108 21421 1 24 . 1 1 125 125 PHE N N 125 126.320 126.320 126.235 0.085 19108 21422 1 24 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.432 -0.267 19108 21423 1 24 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.577 0.337 19108 21424 1 24 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.423 0.396 19108 21425 1 24 . 1 1 125 125 PHE H H 125 9.359 9.359 8.060 1.299 19108 21426 1 24 . 1 1 126 126 ALA N N 126 124.526 124.526 127.389 -2.863 19108 21427 1 24 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.960 0.856 19108 21428 1 24 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.951 -2.081 19108 21429 1 24 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.431 0.903 19108 21430 1 24 . 1 1 126 126 ALA H H 126 9.091 9.091 8.534 0.557 19108 21431 1 24 . 1 1 127 127 ALA N N 127 126.272 126.272 128.274 -2.002 19108 21432 1 24 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.482 0.269 19108 21433 1 24 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.503 1.965 19108 21434 1 24 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.819 -0.214 19108 21435 1 24 . 1 1 127 127 ALA H H 127 9.049 9.049 9.076 -0.027 19108 21436 1 24 . 1 1 128 128 ARG N N 128 108.570 108.570 117.965 -9.395 19108 21437 1 24 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.592 -0.177 19108 21438 1 24 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.471 3.736 19108 21439 1 24 . 1 1 128 128 ARG H H 128 6.741 6.741 7.853 -1.112 19108 21440 1 24 . 1 1 129 129 ILE N N 129 121.285 121.285 123.009 -1.724 19108 21441 1 24 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.074 0.217 19108 21442 1 24 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.580 0.287 19108 21443 1 24 . 1 1 129 129 ILE CB C 129 38.829 38.829 37.909 0.920 19108 21444 1 24 . 1 1 129 129 ILE H H 129 8.340 8.340 8.167 0.173 19108 21445 1 24 . 1 1 130 130 TYR N N 130 130.143 130.143 126.713 3.430 19108 21446 1 24 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.403 0.932 19108 21447 1 24 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.752 -0.827 19108 21448 1 24 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.328 -2.165 19108 21449 1 24 . 1 1 130 130 TYR H H 130 8.870 8.870 8.319 0.551 19108 21450 1 24 . 1 1 131 131 ASP N N 131 123.662 123.662 122.972 0.690 19108 21451 1 24 . 1 1 131 131 ASP HA H 131 3.667 3.667 5.029 -1.362 19108 21452 1 24 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.954 0.759 19108 21453 1 24 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.716 -3.815 19108 21454 1 24 . 1 1 131 131 ASP H H 131 8.123 8.123 8.239 -0.116 19108 21455 1 24 . 1 1 132 132 TYR N N 132 116.852 116.852 119.846 -2.994 19108 21456 1 24 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.836 -0.921 19108 21457 1 24 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.585 -0.117 19108 21458 1 24 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.504 -0.467 19108 21459 1 24 . 1 1 132 132 TYR H H 132 6.448 6.448 8.755 -2.307 19108 21460 1 24 . 1 1 133 133 ASP N N 133 116.930 116.930 118.506 -1.576 19108 21461 1 24 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.784 -1.619 19108 21462 1 24 . 1 1 133 133 ASP CB C 133 42.782 42.782 42.005 0.777 19108 21463 1 24 . 1 1 133 133 ASP H H 133 7.005 7.005 8.228 -1.223 19108 21464 1 24 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.525 -0.422 19108 21465 1 24 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.583 0.118 19108 21466 1 24 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.806 0.284 19108 21467 1 24 . 1 1 135 135 LEU N N 135 120.252 120.252 119.304 0.948 19108 21468 1 24 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.949 0.749 19108 21469 1 24 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.134 -1.753 19108 21470 1 24 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.236 -1.492 19108 21471 1 24 . 1 1 135 135 LEU H H 135 8.456 8.456 7.901 0.555 19108 21472 1 24 . 1 1 136 136 TYR N N 136 117.432 117.432 119.965 -2.533 19108 21473 1 24 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.043 0.018 19108 21474 1 24 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.749 0.309 19108 21475 1 24 . 1 1 136 136 TYR CB C 136 37.580 37.580 38.056 -0.476 19108 21476 1 24 . 1 1 136 136 TYR H H 136 8.028 8.028 7.771 0.257 19108 21477 1 24 . 1 1 137 137 LYS N N 137 122.000 122.000 119.474 2.526 19108 21478 1 24 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.371 0.928 19108 21479 1 24 . 1 1 137 137 LYS CB C 137 30.798 30.798 32.110 -1.312 19108 21480 1 24 . 1 1 137 137 LYS H H 137 7.503 7.503 8.220 -0.717 19108 21481 1 24 . 1 1 138 138 GLU N N 138 121.833 121.833 119.385 2.448 19108 21482 1 24 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.099 0.742 19108 21483 1 24 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.355 -1.886 19108 21484 1 24 . 1 1 138 138 GLU H H 138 8.752 8.752 8.369 0.383 19108 21485 1 24 . 1 1 139 139 ALA N N 139 119.592 119.592 121.858 -2.266 19108 21486 1 24 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.112 -0.266 19108 21487 1 24 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.820 0.320 19108 21488 1 24 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.348 1.907 19108 21489 1 24 . 1 1 139 139 ALA H H 139 7.682 7.682 7.563 0.119 19108 21490 1 24 . 1 1 140 140 LEU N N 140 116.268 116.268 119.346 -3.078 19108 21491 1 24 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.366 0.827 19108 21492 1 24 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.725 -0.630 19108 21493 1 24 . 1 1 140 140 LEU H H 140 7.175 7.175 7.624 -0.449 19108 21494 1 24 . 1 1 141 141 GLN N N 141 117.550 117.550 118.493 -0.943 19108 21495 1 24 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.079 -0.360 19108 21496 1 24 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.355 0.696 19108 21497 1 24 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.532 -0.938 19108 21498 1 24 . 1 1 141 141 GLN H H 141 8.322 8.322 7.531 0.791 19108 21499 1 24 . 1 1 142 142 MET N N 142 118.520 118.520 119.812 -1.292 19108 21500 1 24 . 1 1 142 142 MET HA H 142 4.135 4.135 4.076 0.059 19108 21501 1 24 . 1 1 142 142 MET CA C 142 59.051 59.051 58.215 0.836 19108 21502 1 24 . 1 1 142 142 MET CB C 142 33.170 33.170 32.577 0.593 19108 21503 1 24 . 1 1 142 142 MET H H 142 8.241 8.241 7.816 0.425 19108 21504 1 24 . 1 1 143 143 LEU N N 143 118.659 118.659 118.954 -0.295 19108 21505 1 24 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.195 0.097 19108 21506 1 24 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.045 1.070 19108 21507 1 24 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.990 -0.613 19108 21508 1 24 . 1 1 143 143 LEU H H 143 7.932 7.932 8.337 -0.405 19108 21509 1 24 . 1 1 144 144 ARG N N 144 121.294 121.294 121.465 -0.171 19108 21510 1 24 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.914 0.512 19108 21511 1 24 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.250 -0.261 19108 21512 1 24 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.494 -1.386 19108 21513 1 24 . 1 1 144 144 ARG H H 144 7.968 7.968 7.620 0.348 19108 21514 1 24 . 1 1 145 145 ASP N N 145 122.553 122.553 118.679 3.874 19108 21515 1 24 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.425 0.004 19108 21516 1 24 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.946 0.632 19108 21517 1 24 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.611 -1.021 19108 21518 1 24 . 1 1 145 145 ASP H H 145 8.868 8.868 7.944 0.924 19108 21519 1 24 . 1 1 146 146 ALA N N 146 120.102 120.102 120.858 -0.756 19108 21520 1 24 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.316 0.102 19108 21521 1 24 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.188 -0.154 19108 21522 1 24 . 1 1 146 146 ALA CB C 146 19.295 19.295 20.093 -0.798 19108 21523 1 24 . 1 1 146 146 ALA H H 146 7.737 7.737 7.864 -0.127 19108 21524 1 24 . 1 1 147 147 GLY N N 147 105.039 105.039 106.508 -1.469 19108 21525 1 24 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.967 -0.103 19108 21526 1 24 . 1 1 147 147 GLY H H 147 7.966 7.966 7.893 0.073 19108 21527 1 24 . 1 1 148 148 ALA N N 148 124.181 124.181 124.409 -0.228 19108 21528 1 24 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.085 0.604 19108 21529 1 24 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.788 -1.329 19108 21530 1 24 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.289 -0.810 19108 21531 1 24 . 1 1 148 148 ALA H H 148 8.051 8.051 7.865 0.186 19108 21532 1 24 . 1 1 149 149 GLN N N 149 122.185 122.185 123.365 -1.180 19108 21533 1 24 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.422 0.017 19108 21534 1 24 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.987 -0.032 19108 21535 1 24 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.675 -0.254 19108 21536 1 24 . 1 1 149 149 GLN H H 149 7.953 7.953 8.011 -0.058 19108 21537 1 24 . 1 1 150 150 VAL N N 150 127.399 127.399 127.128 0.271 19108 21538 1 24 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.580 0.172 19108 21539 1 24 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.683 0.756 19108 21540 1 24 . 1 1 150 150 VAL CB C 150 33.178 33.178 31.004 2.174 19108 21541 1 24 . 1 1 150 150 VAL H H 150 8.658 8.658 8.454 0.204 19108 21542 1 24 . 1 1 151 151 SER N N 151 120.616 120.616 122.718 -2.102 19108 21543 1 24 . 1 1 151 151 SER HA H 151 5.179 5.179 4.759 0.420 19108 21544 1 24 . 1 1 151 151 SER CA C 151 56.981 56.981 56.177 0.804 19108 21545 1 24 . 1 1 151 151 SER CB C 151 66.538 66.538 66.181 0.357 19108 21546 1 24 . 1 1 151 151 SER H H 151 8.737 8.737 8.414 0.323 19108 21547 1 24 . 1 1 152 152 ILE N N 152 123.180 123.180 122.578 0.602 19108 21548 1 24 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.602 0.545 19108 21549 1 24 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.317 -3.799 19108 21550 1 24 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.932 -1.852 19108 21551 1 24 . 1 1 152 152 ILE H H 152 8.672 8.672 8.565 0.107 19108 21552 1 24 . 1 1 153 153 MET N N 153 123.477 123.477 126.027 -2.550 19108 21553 1 24 . 1 1 153 153 MET HA H 153 3.886 3.886 4.262 -0.376 19108 21554 1 24 . 1 1 153 153 MET CA C 153 59.053 59.053 55.831 3.223 19108 21555 1 24 . 1 1 153 153 MET CB C 153 34.793 34.793 32.157 2.636 19108 21556 1 24 . 1 1 153 153 MET H H 153 8.314 8.314 8.381 -0.067 19108 21557 1 24 . 1 1 154 154 THR N N 154 117.621 117.621 111.885 5.736 19108 21558 1 24 . 1 1 154 154 THR HA H 154 4.951 4.951 4.728 0.223 19108 21559 1 24 . 1 1 154 154 THR CA C 154 60.436 60.436 59.629 0.807 19108 21560 1 24 . 1 1 154 154 THR CB C 154 72.370 72.370 72.103 0.267 19108 21561 1 24 . 1 1 154 154 THR H H 154 9.630 9.630 7.852 1.778 19108 21562 1 24 . 1 1 155 155 TYR N N 155 121.751 121.751 123.903 -2.152 19108 21563 1 24 . 1 1 155 155 TYR HA H 155 4.099 4.099 3.892 0.207 19108 21564 1 24 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.597 1.841 19108 21565 1 24 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.213 1.073 19108 21566 1 24 . 1 1 155 155 TYR H H 155 9.769 9.769 9.088 0.681 19108 21567 1 24 . 1 1 156 156 ASP N N 156 115.555 115.555 116.630 -1.075 19108 21568 1 24 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.114 -0.006 19108 21569 1 24 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.310 -0.050 19108 21570 1 24 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.341 0.277 19108 21571 1 24 . 1 1 156 156 ASP H H 156 8.230 8.230 8.524 -0.294 19108 21572 1 24 . 1 1 157 157 GLU N N 157 117.678 117.678 119.444 -1.766 19108 21573 1 24 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.030 -0.160 19108 21574 1 24 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.002 1.505 19108 21575 1 24 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.030 2.018 19108 21576 1 24 . 1 1 157 157 GLU H H 157 7.470 7.470 7.590 -0.120 19108 21577 1 24 . 1 1 158 158 PHE N N 158 119.869 119.869 121.250 -1.381 19108 21578 1 24 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.817 0.012 19108 21579 1 24 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.635 1.141 19108 21580 1 24 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.607 1.300 19108 21581 1 24 . 1 1 158 158 PHE H H 158 8.077 8.077 8.549 -0.472 19108 21582 1 24 . 1 1 159 159 LYS N N 159 118.859 118.859 118.666 0.193 19108 21583 1 24 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.538 0.379 19108 21584 1 24 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.227 0.004 19108 21585 1 24 . 1 1 159 159 LYS CB C 159 31.963 31.963 31.843 0.120 19108 21586 1 24 . 1 1 159 159 LYS H H 159 8.273 8.273 7.762 0.511 19108 21587 1 24 . 1 1 160 160 HIS N N 160 115.889 115.889 118.309 -2.420 19108 21588 1 24 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.286 -0.127 19108 21589 1 24 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.515 0.466 19108 21590 1 24 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.558 -1.628 19108 21591 1 24 . 1 1 160 160 HIS H H 160 7.695 7.695 7.694 0.001 19108 21592 1 24 . 1 1 161 161 CYS N N 161 118.188 118.188 118.565 -0.377 19108 21593 1 24 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.081 0.708 19108 21594 1 24 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.876 0.918 19108 21595 1 24 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.231 1.655 19108 21596 1 24 . 1 1 161 161 CYS H H 161 7.885 7.885 7.768 0.117 19108 21597 1 24 . 1 1 162 162 TRP N N 162 122.741 122.741 121.611 1.130 19108 21598 1 24 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.476 0.288 19108 21599 1 24 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.918 -0.201 19108 21600 1 24 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.864 -0.271 19108 21601 1 24 . 1 1 162 162 TRP H H 162 8.040 8.040 8.200 -0.160 19108 21602 1 24 . 1 1 163 163 ASP N N 163 113.796 113.796 120.460 -6.664 19108 21603 1 24 . 1 1 163 163 ASP HA H 163 4.126 4.126 4.093 0.033 19108 21604 1 24 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.773 0.156 19108 21605 1 24 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.418 0.117 19108 21606 1 24 . 1 1 163 163 ASP H H 163 8.319 8.319 7.942 0.377 19108 21607 1 24 . 1 1 164 164 THR N N 164 112.008 112.008 115.665 -3.657 19108 21608 1 24 . 1 1 164 164 THR HA H 164 3.803 3.803 3.888 -0.085 19108 21609 1 24 . 1 1 164 164 THR CA C 164 65.164 65.164 66.364 -1.200 19108 21610 1 24 . 1 1 164 164 THR CB C 164 70.171 70.171 68.889 1.282 19108 21611 1 24 . 1 1 164 164 THR H H 164 7.494 7.494 8.383 -0.889 19108 21612 1 24 . 1 1 165 165 PHE N N 165 115.079 115.079 116.462 -1.383 19108 21613 1 24 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.601 -0.066 19108 21614 1 24 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.307 0.662 19108 21615 1 24 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.597 -0.229 19108 21616 1 24 . 1 1 165 165 PHE H H 165 8.235 8.235 7.277 0.958 19108 21617 1 24 . 1 1 166 166 VAL N N 166 118.432 118.432 119.927 -1.495 19108 21618 1 24 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.502 -0.477 19108 21619 1 24 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.400 0.601 19108 21620 1 24 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.916 -3.561 19108 21621 1 24 . 1 1 166 166 VAL H H 166 6.838 6.838 7.210 -0.372 19108 21622 1 24 . 1 1 167 167 ASP N N 167 126.263 126.263 126.903 -0.640 19108 21623 1 24 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.326 -0.478 19108 21624 1 24 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.830 -2.200 19108 21625 1 24 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.389 -1.309 19108 21626 1 24 . 1 1 167 167 ASP H H 167 8.498 8.498 8.439 0.059 19108 21627 1 24 . 1 1 168 168 HIS N N 168 119.890 119.890 117.701 2.189 19108 21628 1 24 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.169 0.177 19108 21629 1 24 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.135 -1.560 19108 21630 1 24 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.308 3.154 19108 21631 1 24 . 1 1 168 168 HIS H H 168 6.977 6.977 7.509 -0.532 19108 21632 1 24 . 1 1 169 169 GLN N N 169 119.254 119.254 116.992 2.262 19108 21633 1 24 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.947 -0.224 19108 21634 1 24 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.129 0.641 19108 21635 1 24 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.038 -0.517 19108 21636 1 24 . 1 1 169 169 GLN H H 169 9.126 9.126 7.753 1.373 19108 21637 1 24 . 1 1 170 170 GLY N N 170 111.911 111.911 102.118 9.793 19108 21638 1 24 . 1 1 170 170 GLY CA C 170 44.824 44.824 45.106 -0.282 19108 21639 1 24 . 1 1 170 170 GLY H H 170 11.556 11.556 8.656 2.900 19108 21640 1 24 . 1 1 171 171 CYS N N 171 123.390 123.390 121.046 2.344 19108 21641 1 24 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.969 -0.253 19108 21642 1 24 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.730 2.055 19108 21643 1 24 . 1 1 171 171 CYS CB C 171 27.904 27.904 27.872 0.032 19108 21644 1 24 . 1 1 171 171 CYS H H 171 8.044 8.044 8.224 -0.180 19108 21645 1 24 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.561 0.057 19108 21646 1 24 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.886 -1.028 19108 21647 1 24 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.260 0.269 19108 21648 1 24 . 1 1 173 173 PHE N N 173 121.101 121.101 119.975 1.126 19108 21649 1 24 . 1 1 173 173 PHE HA H 173 2.656 2.656 2.480 0.176 19108 21650 1 24 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.657 -1.116 19108 21651 1 24 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.561 -0.815 19108 21652 1 24 . 1 1 173 173 PHE H H 173 8.842 8.842 8.163 0.679 19108 21653 1 24 . 1 1 174 174 GLN N N 174 129.493 129.493 123.184 6.309 19108 21654 1 24 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.214 0.103 19108 21655 1 24 . 1 1 174 174 GLN CA C 174 50.795 50.795 51.948 -1.153 19108 21656 1 24 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.986 0.111 19108 21657 1 24 . 1 1 174 174 GLN H H 174 7.250 7.250 6.717 0.533 19108 21658 1 24 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.819 -0.905 19108 21659 1 24 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.299 0.124 19108 21660 1 24 . 1 1 176 176 TRP N N 176 118.133 118.133 124.944 -6.811 19108 21661 1 24 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.818 -0.185 19108 21662 1 24 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.650 0.512 19108 21663 1 24 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.390 -0.501 19108 21664 1 24 . 1 1 176 176 TRP H H 176 5.591 5.591 6.824 -1.233 19108 21665 1 24 . 1 1 177 177 ASP N N 177 121.814 121.814 121.502 0.312 19108 21666 1 24 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.512 -0.115 19108 21667 1 24 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.482 1.690 19108 21668 1 24 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.883 0.792 19108 21669 1 24 . 1 1 177 177 ASP H H 177 8.848 8.848 8.559 0.289 19108 21670 1 24 . 1 1 178 178 GLY N N 178 111.875 111.875 113.501 -1.626 19108 21671 1 24 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.226 0.440 19108 21672 1 24 . 1 1 178 178 GLY H H 178 8.987 8.987 7.946 1.041 19108 21673 1 24 . 1 1 179 179 LEU N N 179 121.470 121.470 122.695 -1.225 19108 21674 1 24 . 1 1 179 179 LEU HA H 179 4.488 4.488 3.962 0.526 19108 21675 1 24 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.086 2.696 19108 21676 1 24 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.632 0.597 19108 21677 1 24 . 1 1 179 179 LEU H H 179 7.148 7.148 7.358 -0.210 19108 21678 1 24 . 1 1 180 180 ASP N N 180 119.476 119.476 118.515 0.961 19108 21679 1 24 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.309 0.183 19108 21680 1 24 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.378 0.561 19108 21681 1 24 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.626 1.087 19108 21682 1 24 . 1 1 180 180 ASP H H 180 8.874 8.874 8.584 0.290 19108 21683 1 24 . 1 1 181 181 GLU N N 181 122.379 122.379 121.641 0.738 19108 21684 1 24 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.844 0.168 19108 21685 1 24 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.765 0.204 19108 21686 1 24 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.202 -0.276 19108 21687 1 24 . 1 1 181 181 GLU H H 181 8.712 8.712 8.279 0.433 19108 21688 1 24 . 1 1 182 182 HIS N N 182 118.572 118.572 117.183 1.389 19108 21689 1 24 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.385 0.369 19108 21690 1 24 . 1 1 182 182 HIS CA C 182 59.029 59.029 58.880 0.149 19108 21691 1 24 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.417 -0.569 19108 21692 1 24 . 1 1 182 182 HIS H H 182 8.854 8.854 8.275 0.579 19108 21693 1 24 . 1 1 183 183 SER N N 183 116.329 116.329 114.426 1.903 19108 21694 1 24 . 1 1 183 183 SER HA H 183 4.554 4.554 4.276 0.278 19108 21695 1 24 . 1 1 183 183 SER CA C 183 63.604 63.604 61.913 1.691 19108 21696 1 24 . 1 1 183 183 SER CB C 183 65.216 65.216 62.505 2.711 19108 21697 1 24 . 1 1 183 183 SER H H 183 8.665 8.665 7.869 0.796 19108 21698 1 24 . 1 1 184 184 GLN N N 184 122.215 122.215 119.868 2.347 19108 21699 1 24 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.137 0.110 19108 21700 1 24 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.311 0.649 19108 21701 1 24 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.402 0.532 19108 21702 1 24 . 1 1 184 184 GLN H H 184 8.714 8.714 8.286 0.428 19108 21703 1 24 . 1 1 185 185 ALA N N 185 124.432 124.432 123.791 0.641 19108 21704 1 24 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.072 0.212 19108 21705 1 24 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.113 0.356 19108 21706 1 24 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.253 0.121 19108 21707 1 24 . 1 1 185 185 ALA H H 185 8.258 8.258 7.878 0.380 19108 21708 1 24 . 1 1 186 186 LEU N N 186 119.941 119.941 118.533 1.408 19108 21709 1 24 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.920 0.292 19108 21710 1 24 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.976 0.240 19108 21711 1 24 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.391 1.373 19108 21712 1 24 . 1 1 186 186 LEU H H 186 8.953 8.953 7.872 1.081 19108 21713 1 24 . 1 1 187 187 SER N N 187 116.987 116.987 114.904 2.083 19108 21714 1 24 . 1 1 187 187 SER HA H 187 4.039 4.039 4.107 -0.068 19108 21715 1 24 . 1 1 187 187 SER CA C 187 63.302 63.302 62.031 1.271 19108 21716 1 24 . 1 1 187 187 SER CB C 187 62.760 62.760 62.798 -0.038 19108 21717 1 24 . 1 1 187 187 SER H H 187 8.935 8.935 8.300 0.635 19108 21718 1 24 . 1 1 188 188 GLY N N 188 110.215 110.215 108.340 1.875 19108 21719 1 24 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.743 0.410 19108 21720 1 24 . 1 1 188 188 GLY H H 188 8.228 8.228 8.200 0.028 19108 21721 1 24 . 1 1 189 189 ARG N N 189 122.994 122.994 122.565 0.429 19108 21722 1 24 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.117 0.120 19108 21723 1 24 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.892 0.667 19108 21724 1 24 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.937 0.458 19108 21725 1 24 . 1 1 189 189 ARG H H 189 7.838 7.838 7.311 0.527 19108 21726 1 24 . 1 1 190 190 LEU N N 190 119.765 119.765 120.250 -0.485 19108 21727 1 24 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.119 0.119 19108 21728 1 24 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.198 0.021 19108 21729 1 24 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.940 -0.698 19108 21730 1 24 . 1 1 190 190 LEU H H 190 8.791 8.791 7.807 0.984 19108 21731 1 24 . 1 1 191 191 ARG N N 191 118.427 118.427 118.872 -0.445 19108 21732 1 24 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.826 0.217 19108 21733 1 24 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.731 0.051 19108 21734 1 24 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.934 0.257 19108 21735 1 24 . 1 1 191 191 ARG H H 191 8.305 8.305 7.977 0.328 19108 21736 1 24 . 1 1 192 192 ALA N N 192 119.414 119.414 122.036 -2.622 19108 21737 1 24 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.060 0.157 19108 21738 1 24 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.813 -0.097 19108 21739 1 24 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.189 -0.024 19108 21740 1 24 . 1 1 192 192 ALA H H 192 7.414 7.414 7.681 -0.267 19108 21741 1 24 . 1 1 193 193 ILE N N 193 118.949 118.949 118.484 0.465 19108 21742 1 24 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.763 0.007 19108 21743 1 24 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.248 0.590 19108 21744 1 24 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.800 1.647 19108 21745 1 24 . 1 1 193 193 ILE H H 193 7.896 7.896 7.584 0.312 19108 21746 1 24 . 1 1 194 194 LEU N N 194 116.435 116.435 121.349 -4.914 19108 21747 1 24 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.034 0.239 19108 21748 1 24 . 1 1 194 194 LEU CA C 194 55.713 55.713 57.690 -1.977 19108 21749 1 24 . 1 1 194 194 LEU CB C 194 40.471 40.471 41.857 -1.386 19108 21750 1 24 . 1 1 194 194 LEU H H 194 8.296 8.296 8.296 0.000 19108 21751 1 24 . 1 1 195 195 GLN N N 195 118.580 118.580 116.730 1.850 19108 21752 1 24 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.174 0.161 19108 21753 1 24 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.943 0.474 19108 21754 1 24 . 1 1 195 195 GLN CB C 195 28.598 28.598 29.060 -0.462 19108 21755 1 24 . 1 1 195 195 GLN H H 195 7.921 7.921 7.697 0.224 19108 21756 1 24 . 1 1 196 196 ASN N N 196 118.941 118.941 118.246 0.695 19108 21757 1 24 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.406 0.296 19108 21758 1 24 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.923 -0.473 19108 21759 1 24 . 1 1 196 196 ASN CB C 196 38.825 38.825 37.839 0.987 19108 21760 1 24 . 1 1 196 196 ASN H H 196 8.078 8.078 8.072 0.006 19108 21761 1 24 . 1 1 197 197 GLN N N 197 120.984 120.984 119.838 1.146 19108 21762 1 24 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.063 0.293 19108 21763 1 24 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.431 -0.265 19108 21764 1 24 . 1 1 197 197 GLN CB C 197 29.496 29.496 27.473 2.023 19108 21765 1 24 . 1 1 197 197 GLN H H 197 8.526 8.526 8.683 -0.157 19108 21766 1 24 . 1 1 198 198 GLY N N 198 109.565 109.565 111.834 -2.269 19108 21767 1 24 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.803 -0.419 19108 21768 1 24 . 1 1 198 198 GLY H H 198 8.467 8.467 8.743 -0.276 19108 21769 1 25 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.143 0.231 19108 21770 1 25 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.760 -0.412 19108 21771 1 25 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.426 1.027 19108 21772 1 25 . 1 1 3 3 ALA N N 3 125.932 125.932 125.426 0.506 19108 21773 1 25 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.468 -0.118 19108 21774 1 25 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.376 0.031 19108 21775 1 25 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.526 0.054 19108 21776 1 25 . 1 1 3 3 ALA H H 3 8.526 8.526 8.115 0.411 19108 21777 1 25 . 1 1 4 4 SER N N 4 116.729 116.729 116.290 0.439 19108 21778 1 25 . 1 1 4 4 SER HA H 4 4.766 4.766 4.451 0.315 19108 21779 1 25 . 1 1 4 4 SER CA C 4 56.283 56.283 58.892 -2.609 19108 21780 1 25 . 1 1 4 4 SER CB C 4 63.278 63.278 61.823 1.455 19108 21781 1 25 . 1 1 4 4 SER H H 4 8.397 8.397 8.306 0.091 19108 21782 1 25 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.401 0.045 19108 21783 1 25 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.145 0.161 19108 21784 1 25 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.902 0.195 19108 21785 1 25 . 1 1 6 6 ALA N N 6 124.236 124.236 120.250 3.986 19108 21786 1 25 . 1 1 6 6 ALA HA H 6 4.333 4.333 3.977 0.356 19108 21787 1 25 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.913 -0.350 19108 21788 1 25 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.663 0.671 19108 21789 1 25 . 1 1 6 6 ALA H H 6 8.411 8.411 8.413 -0.002 19108 21790 1 25 . 1 1 7 7 SER N N 7 114.497 114.497 118.117 -3.620 19108 21791 1 25 . 1 1 7 7 SER HA H 7 4.475 4.475 4.528 -0.053 19108 21792 1 25 . 1 1 7 7 SER CA C 7 58.258 58.258 58.481 -0.223 19108 21793 1 25 . 1 1 7 7 SER CB C 7 64.174 64.174 64.649 -0.475 19108 21794 1 25 . 1 1 7 7 SER H H 7 8.195 8.195 8.911 -0.716 19108 21795 1 25 . 1 1 8 8 GLY N N 8 110.497 110.497 112.051 -1.554 19108 21796 1 25 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.144 0.702 19108 21797 1 25 . 1 1 8 8 GLY H H 8 8.226 8.226 8.400 -0.174 19108 21798 1 25 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.509 -0.060 19108 21799 1 25 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.976 0.458 19108 21800 1 25 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.786 -0.593 19108 21801 1 25 . 1 1 10 10 ARG N N 10 120.534 120.534 120.092 0.442 19108 21802 1 25 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.509 -0.168 19108 21803 1 25 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.973 1.043 19108 21804 1 25 . 1 1 10 10 ARG CB C 10 30.809 30.809 32.044 -1.235 19108 21805 1 25 . 1 1 10 10 ARG H H 10 8.469 8.469 8.252 0.217 19108 21806 1 25 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.803 0.022 19108 21807 1 25 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.999 0.462 19108 21808 1 25 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.754 0.437 19108 21809 1 25 . 1 1 12 12 LEU N N 12 122.284 122.284 120.698 1.586 19108 21810 1 25 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.859 0.750 19108 21811 1 25 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.641 1.389 19108 21812 1 25 . 1 1 12 12 LEU H H 12 8.250 8.250 8.112 0.138 19108 21813 1 25 . 1 1 13 13 MET N N 13 121.493 121.493 118.827 2.666 19108 21814 1 25 . 1 1 13 13 MET HA H 13 4.038 4.038 4.398 -0.360 19108 21815 1 25 . 1 1 13 13 MET CA C 13 54.449 54.449 56.399 -1.950 19108 21816 1 25 . 1 1 13 13 MET CB C 13 35.015 35.015 32.917 2.098 19108 21817 1 25 . 1 1 13 13 MET H H 13 8.955 8.955 8.296 0.659 19108 21818 1 25 . 1 1 14 14 ASP N N 14 127.113 127.113 120.165 6.948 19108 21819 1 25 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.891 -0.791 19108 21820 1 25 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.332 -0.876 19108 21821 1 25 . 1 1 14 14 ASP CB C 14 42.510 42.510 42.018 0.492 19108 21822 1 25 . 1 1 14 14 ASP H H 14 8.514 8.514 8.491 0.023 19108 21823 1 25 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.209 -0.356 19108 21824 1 25 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.722 -0.068 19108 21825 1 25 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.139 -0.488 19108 21826 1 25 . 1 1 16 16 HIS N N 16 115.776 115.776 117.358 -1.582 19108 21827 1 25 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.406 -0.128 19108 21828 1 25 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.138 -1.220 19108 21829 1 25 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.580 -0.372 19108 21830 1 25 . 1 1 16 16 HIS H H 16 8.591 8.591 8.587 0.004 19108 21831 1 25 . 1 1 17 17 ILE N N 17 122.675 122.675 118.494 4.181 19108 21832 1 25 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.604 -0.120 19108 21833 1 25 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.351 -1.125 19108 21834 1 25 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.854 -0.757 19108 21835 1 25 . 1 1 17 17 ILE H H 17 7.558 7.558 8.300 -0.742 19108 21836 1 25 . 1 1 18 18 PHE N N 18 120.513 120.513 121.187 -0.674 19108 21837 1 25 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.297 -0.294 19108 21838 1 25 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.490 1.314 19108 21839 1 25 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.752 -0.112 19108 21840 1 25 . 1 1 18 18 PHE H H 18 7.831 7.831 8.247 -0.416 19108 21841 1 25 . 1 1 19 19 THR N N 19 114.555 114.555 116.166 -1.611 19108 21842 1 25 . 1 1 19 19 THR HA H 19 3.657 3.657 3.911 -0.254 19108 21843 1 25 . 1 1 19 19 THR CA C 19 66.485 66.485 66.475 0.010 19108 21844 1 25 . 1 1 19 19 THR CB C 19 68.345 68.345 68.696 -0.351 19108 21845 1 25 . 1 1 19 19 THR H H 19 9.036 9.036 8.673 0.363 19108 21846 1 25 . 1 1 20 20 SER N N 20 113.030 113.030 115.321 -2.291 19108 21847 1 25 . 1 1 20 20 SER HA H 20 4.062 4.062 4.056 0.006 19108 21848 1 25 . 1 1 20 20 SER CA C 20 60.610 60.610 61.508 -0.898 19108 21849 1 25 . 1 1 20 20 SER CB C 20 63.843 63.843 62.834 1.009 19108 21850 1 25 . 1 1 20 20 SER H H 20 7.809 7.809 8.236 -0.427 19108 21851 1 25 . 1 1 21 21 ASN N N 21 115.629 115.629 120.258 -4.629 19108 21852 1 25 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.144 0.267 19108 21853 1 25 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.880 2.109 19108 21854 1 25 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.712 3.868 19108 21855 1 25 . 1 1 21 21 ASN H H 21 7.362 7.362 7.602 -0.240 19108 21856 1 25 . 1 1 22 22 PHE N N 22 117.773 117.773 115.406 2.367 19108 21857 1 25 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.446 -0.173 19108 21858 1 25 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.959 -0.499 19108 21859 1 25 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.291 -1.461 19108 21860 1 25 . 1 1 22 22 PHE H H 22 8.296 8.296 7.791 0.505 19108 21861 1 25 . 1 1 23 23 ASN N N 23 115.026 115.026 120.676 -5.650 19108 21862 1 25 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.101 0.428 19108 21863 1 25 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.842 0.800 19108 21864 1 25 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.423 -1.800 19108 21865 1 25 . 1 1 23 23 ASN H H 23 6.097 6.097 7.354 -1.257 19108 21866 1 25 . 1 1 24 24 ASN N N 24 122.900 122.900 124.919 -2.019 19108 21867 1 25 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.218 0.215 19108 21868 1 25 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.509 -0.236 19108 21869 1 25 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.348 -0.456 19108 21870 1 25 . 1 1 24 24 ASN H H 24 7.083 7.083 7.575 -0.492 19108 21871 1 25 . 1 1 25 25 GLY N N 25 105.587 105.587 109.383 -3.796 19108 21872 1 25 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.787 0.078 19108 21873 1 25 . 1 1 25 25 GLY H H 25 8.520 8.520 8.183 0.337 19108 21874 1 25 . 1 1 26 26 ILE N N 26 120.182 120.182 120.749 -0.567 19108 21875 1 25 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.294 -0.120 19108 21876 1 25 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.071 1.372 19108 21877 1 25 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.122 0.393 19108 21878 1 25 . 1 1 26 26 ILE H H 26 6.944 6.944 7.521 -0.577 19108 21879 1 25 . 1 1 27 27 GLY N N 27 111.665 111.665 108.668 2.997 19108 21880 1 25 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.988 0.331 19108 21881 1 25 . 1 1 27 27 GLY H H 27 8.457 8.457 8.166 0.291 19108 21882 1 25 . 1 1 28 28 ARG N N 28 117.565 117.565 119.574 -2.009 19108 21883 1 25 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.791 -1.226 19108 21884 1 25 . 1 1 28 28 ARG H H 28 6.741 6.741 8.457 -1.716 19108 21885 1 25 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.603 1.400 19108 21886 1 25 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.936 0.108 19108 21887 1 25 . 1 1 29 29 HIS H H 29 8.636 8.636 9.052 -0.416 19108 21888 1 25 . 1 1 30 30 LYS N N 30 119.344 119.344 122.960 -3.616 19108 21889 1 25 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.519 -0.098 19108 21890 1 25 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.884 0.980 19108 21891 1 25 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.694 1.497 19108 21892 1 25 . 1 1 30 30 LYS H H 30 7.870 7.870 7.480 0.390 19108 21893 1 25 . 1 1 31 31 THR N N 31 118.233 118.233 115.188 3.045 19108 21894 1 25 . 1 1 31 31 THR HA H 31 4.125 4.125 3.706 0.419 19108 21895 1 25 . 1 1 31 31 THR CA C 31 63.175 63.175 64.195 -1.020 19108 21896 1 25 . 1 1 31 31 THR H H 31 8.436 8.436 7.085 1.351 19108 21897 1 25 . 1 1 32 32 TYR N N 32 124.026 124.026 124.905 -0.879 19108 21898 1 25 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.917 0.019 19108 21899 1 25 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.740 -0.239 19108 21900 1 25 . 1 1 32 32 TYR CB C 32 44.404 44.404 41.831 2.573 19108 21901 1 25 . 1 1 32 32 TYR H H 32 8.244 8.244 8.726 -0.482 19108 21902 1 25 . 1 1 33 33 LEU N N 33 125.428 125.428 123.490 1.938 19108 21903 1 25 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.271 -0.192 19108 21904 1 25 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.336 1.502 19108 21905 1 25 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.523 1.461 19108 21906 1 25 . 1 1 33 33 LEU H H 33 9.232 9.232 9.154 0.078 19108 21907 1 25 . 1 1 34 34 CYS N N 34 125.975 125.975 125.933 0.042 19108 21908 1 25 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.970 0.036 19108 21909 1 25 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.849 1.296 19108 21910 1 25 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.406 1.896 19108 21911 1 25 . 1 1 34 34 CYS H H 34 9.640 9.640 8.969 0.671 19108 21912 1 25 . 1 1 35 35 TYR N N 35 121.183 121.183 123.218 -2.035 19108 21913 1 25 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.396 1.092 19108 21914 1 25 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.265 -0.483 19108 21915 1 25 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.444 2.646 19108 21916 1 25 . 1 1 35 35 TYR H H 35 9.094 9.094 8.442 0.652 19108 21917 1 25 . 1 1 36 36 GLU N N 36 115.538 115.538 122.445 -6.907 19108 21918 1 25 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.856 0.579 19108 21919 1 25 . 1 1 36 36 GLU CA C 36 55.391 55.391 53.921 1.470 19108 21920 1 25 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.782 -0.239 19108 21921 1 25 . 1 1 36 36 GLU H H 36 8.977 8.977 8.922 0.055 19108 21922 1 25 . 1 1 37 37 VAL N N 37 121.600 121.600 123.350 -1.750 19108 21923 1 25 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.582 0.577 19108 21924 1 25 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.831 0.216 19108 21925 1 25 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.972 1.098 19108 21926 1 25 . 1 1 37 37 VAL H H 37 9.271 9.271 8.771 0.500 19108 21927 1 25 . 1 1 38 38 GLU N N 38 125.227 125.227 127.277 -2.050 19108 21928 1 25 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.091 0.127 19108 21929 1 25 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.271 -1.019 19108 21930 1 25 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.241 1.686 19108 21931 1 25 . 1 1 38 38 GLU H H 38 9.114 9.114 8.543 0.571 19108 21932 1 25 . 1 1 39 39 ARG N N 39 124.872 124.872 124.403 0.469 19108 21933 1 25 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.251 1.114 19108 21934 1 25 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.425 0.822 19108 21935 1 25 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.307 0.258 19108 21936 1 25 . 1 1 39 39 ARG H H 39 9.215 9.215 8.324 0.891 19108 21937 1 25 . 1 1 40 40 LEU N N 40 126.510 126.510 122.241 4.269 19108 21938 1 25 . 1 1 40 40 LEU HA H 40 4.753 4.753 5.008 -0.255 19108 21939 1 25 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.944 0.379 19108 21940 1 25 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.365 -2.522 19108 21941 1 25 . 1 1 40 40 LEU H H 40 8.659 8.659 7.752 0.907 19108 21942 1 25 . 1 1 41 41 ASP N N 41 124.410 124.410 120.687 3.723 19108 21943 1 25 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.687 0.106 19108 21944 1 25 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.846 -0.628 19108 21945 1 25 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.838 -1.105 19108 21946 1 25 . 1 1 41 41 ASP H H 41 8.575 8.575 8.354 0.221 19108 21947 1 25 . 1 1 42 42 ASN N N 42 123.319 123.319 122.050 1.269 19108 21948 1 25 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.437 -0.017 19108 21949 1 25 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.925 0.248 19108 21950 1 25 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.960 -0.113 19108 21951 1 25 . 1 1 42 42 ASN H H 42 9.048 9.048 8.986 0.062 19108 21952 1 25 . 1 1 43 43 GLY N N 43 106.044 106.044 102.709 3.335 19108 21953 1 25 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.006 0.388 19108 21954 1 25 . 1 1 43 43 GLY H H 43 8.548 8.548 8.245 0.303 19108 21955 1 25 . 1 1 44 44 THR N N 44 115.893 115.893 119.603 -3.710 19108 21956 1 25 . 1 1 44 44 THR HA H 44 4.524 4.524 4.459 0.065 19108 21957 1 25 . 1 1 44 44 THR CA C 44 61.285 61.285 61.797 -0.512 19108 21958 1 25 . 1 1 44 44 THR CB C 44 70.572 70.572 69.249 1.323 19108 21959 1 25 . 1 1 44 44 THR H H 44 7.833 7.833 7.706 0.127 19108 21960 1 25 . 1 1 45 45 SER N N 45 119.589 119.589 123.559 -3.970 19108 21961 1 25 . 1 1 45 45 SER HA H 45 4.804 4.804 4.501 0.303 19108 21962 1 25 . 1 1 45 45 SER CA C 45 58.080 58.080 57.851 0.229 19108 21963 1 25 . 1 1 45 45 SER CB C 45 64.265 64.265 63.216 1.049 19108 21964 1 25 . 1 1 45 45 SER H H 45 8.590 8.590 8.767 -0.177 19108 21965 1 25 . 1 1 46 46 VAL N N 46 125.827 125.827 127.838 -2.011 19108 21966 1 25 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.201 0.092 19108 21967 1 25 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.300 0.543 19108 21968 1 25 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.768 0.749 19108 21969 1 25 . 1 1 46 46 VAL H H 46 9.034 9.034 8.960 0.074 19108 21970 1 25 . 1 1 47 47 LYS N N 47 126.528 126.528 126.871 -0.343 19108 21971 1 25 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.556 -0.271 19108 21972 1 25 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.509 2.156 19108 21973 1 25 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.431 -0.639 19108 21974 1 25 . 1 1 47 47 LYS H H 47 8.738 8.738 8.341 0.397 19108 21975 1 25 . 1 1 48 48 MET N N 48 122.645 122.645 124.731 -2.086 19108 21976 1 25 . 1 1 48 48 MET HA H 48 5.195 5.195 4.661 0.534 19108 21977 1 25 . 1 1 48 48 MET CA C 48 54.747 54.747 55.326 -0.579 19108 21978 1 25 . 1 1 48 48 MET CB C 48 32.379 32.379 34.549 -2.170 19108 21979 1 25 . 1 1 48 48 MET H H 48 8.334 8.334 8.200 0.134 19108 21980 1 25 . 1 1 49 49 ASP N N 49 123.713 123.713 121.191 2.522 19108 21981 1 25 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.532 -0.108 19108 21982 1 25 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.164 0.446 19108 21983 1 25 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.344 -0.311 19108 21984 1 25 . 1 1 49 49 ASP H H 49 8.575 8.575 8.642 -0.067 19108 21985 1 25 . 1 1 50 50 GLN N N 50 117.540 117.540 120.707 -3.167 19108 21986 1 25 . 1 1 50 50 GLN H H 50 9.110 9.110 8.535 0.575 19108 21987 1 25 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.802 0.349 19108 21988 1 25 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.150 -1.316 19108 21989 1 25 . 1 1 51 51 HIS H H 51 8.031 8.031 8.431 -0.400 19108 21990 1 25 . 1 1 52 52 ARG N N 52 117.888 117.888 117.028 0.860 19108 21991 1 25 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.233 1.004 19108 21992 1 25 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.651 0.404 19108 21993 1 25 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.435 0.619 19108 21994 1 25 . 1 1 52 52 ARG H H 52 7.685 7.685 7.545 0.140 19108 21995 1 25 . 1 1 53 53 GLY N N 53 108.573 108.573 105.244 3.329 19108 21996 1 25 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.308 0.400 19108 21997 1 25 . 1 1 53 53 GLY H H 53 7.529 7.529 7.084 0.445 19108 21998 1 25 . 1 1 54 54 PHE N N 54 113.146 113.146 115.554 -2.408 19108 21999 1 25 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.612 0.383 19108 22000 1 25 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.703 -0.847 19108 22001 1 25 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.772 2.591 19108 22002 1 25 . 1 1 54 54 PHE H H 54 8.287 8.287 7.658 0.629 19108 22003 1 25 . 1 1 55 55 LEU N N 55 119.389 119.389 120.313 -0.924 19108 22004 1 25 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.692 0.003 19108 22005 1 25 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.497 0.215 19108 22006 1 25 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.343 0.285 19108 22007 1 25 . 1 1 55 55 LEU H H 55 9.452 9.452 8.935 0.517 19108 22008 1 25 . 1 1 56 56 HIS N N 56 114.176 114.176 113.707 0.469 19108 22009 1 25 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.164 0.275 19108 22010 1 25 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.263 0.202 19108 22011 1 25 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.491 -0.024 19108 22012 1 25 . 1 1 56 56 HIS H H 56 7.709 7.709 7.515 0.194 19108 22013 1 25 . 1 1 57 57 ASN N N 57 116.522 116.522 118.089 -1.567 19108 22014 1 25 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.417 -0.002 19108 22015 1 25 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.660 1.524 19108 22016 1 25 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.801 -1.139 19108 22017 1 25 . 1 1 57 57 ASN H H 57 8.684 8.684 8.115 0.569 19108 22018 1 25 . 1 1 58 58 GLN N N 58 122.850 122.850 118.097 4.753 19108 22019 1 25 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.800 0.589 19108 22020 1 25 . 1 1 58 58 GLN CA C 58 54.853 54.853 57.922 -3.069 19108 22021 1 25 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.534 1.848 19108 22022 1 25 . 1 1 58 58 GLN H H 58 9.099 9.099 8.209 0.890 19108 22023 1 25 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.039 0.261 19108 22024 1 25 . 1 1 59 59 ALA CA C 59 52.504 52.504 53.482 -0.978 19108 22025 1 25 . 1 1 59 59 ALA CB C 59 19.421 19.421 18.027 1.394 19108 22026 1 25 . 1 1 60 60 LYS N N 60 119.998 119.998 118.631 1.367 19108 22027 1 25 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.439 -0.663 19108 22028 1 25 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.618 -0.317 19108 22029 1 25 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.094 -0.278 19108 22030 1 25 . 1 1 60 60 LYS H H 60 8.344 8.344 8.364 -0.020 19108 22031 1 25 . 1 1 61 61 ASN N N 61 119.688 119.688 118.752 0.936 19108 22032 1 25 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.893 -0.438 19108 22033 1 25 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.242 -0.338 19108 22034 1 25 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.433 0.104 19108 22035 1 25 . 1 1 61 61 ASN H H 61 8.643 8.643 8.406 0.237 19108 22036 1 25 . 1 1 62 62 LEU N N 62 124.761 124.761 115.534 9.227 19108 22037 1 25 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.224 -0.290 19108 22038 1 25 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.075 0.170 19108 22039 1 25 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.715 -0.772 19108 22040 1 25 . 1 1 62 62 LEU H H 62 8.873 8.873 7.619 1.254 19108 22041 1 25 . 1 1 63 63 LEU N N 63 120.312 120.312 118.271 2.041 19108 22042 1 25 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.227 -0.028 19108 22043 1 25 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.320 -0.243 19108 22044 1 25 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.106 0.151 19108 22045 1 25 . 1 1 63 63 LEU H H 63 8.145 8.145 8.100 0.045 19108 22046 1 25 . 1 1 64 64 CYS N N 64 113.898 113.898 118.300 -4.402 19108 22047 1 25 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.537 -0.366 19108 22048 1 25 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.888 -1.104 19108 22049 1 25 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.314 0.404 19108 22050 1 25 . 1 1 64 64 CYS H H 64 7.376 7.376 7.633 -0.257 19108 22051 1 25 . 1 1 65 65 GLY N N 65 108.894 108.894 108.836 0.058 19108 22052 1 25 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.513 1.470 19108 22053 1 25 . 1 1 65 65 GLY H H 65 7.789 7.789 7.572 0.216 19108 22054 1 25 . 1 1 66 66 PHE N N 66 118.711 118.711 117.176 1.535 19108 22055 1 25 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.490 -0.573 19108 22056 1 25 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.168 -0.228 19108 22057 1 25 . 1 1 66 66 PHE CB C 66 40.268 40.268 40.440 -0.171 19108 22058 1 25 . 1 1 66 66 PHE H H 66 7.699 7.699 6.862 0.837 19108 22059 1 25 . 1 1 67 67 TYR N N 67 124.623 124.623 119.210 5.413 19108 22060 1 25 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.373 -0.073 19108 22061 1 25 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.825 0.939 19108 22062 1 25 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.029 0.124 19108 22063 1 25 . 1 1 67 67 TYR H H 67 8.568 8.568 6.318 2.250 19108 22064 1 25 . 1 1 69 69 ARG N N 69 121.427 121.427 119.939 1.488 19108 22065 1 25 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.943 2.114 19108 22066 1 25 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.105 0.191 19108 22067 1 25 . 1 1 69 69 ARG H H 69 8.313 8.313 8.316 -0.003 19108 22068 1 25 . 1 1 70 70 HIS N N 70 128.351 128.351 121.134 7.217 19108 22069 1 25 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.730 0.052 19108 22070 1 25 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.158 1.558 19108 22071 1 25 . 1 1 70 70 HIS CB C 70 31.776 31.776 32.334 -0.558 19108 22072 1 25 . 1 1 70 70 HIS H H 70 9.182 9.182 8.793 0.389 19108 22073 1 25 . 1 1 71 71 ALA N N 71 125.649 125.649 124.387 1.262 19108 22074 1 25 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.179 -0.822 19108 22075 1 25 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.581 1.201 19108 22076 1 25 . 1 1 71 71 ALA CB C 71 18.010 18.010 19.321 -1.311 19108 22077 1 25 . 1 1 71 71 ALA H H 71 8.968 8.968 8.916 0.052 19108 22078 1 25 . 1 1 72 72 GLU N N 72 119.941 119.941 118.617 1.324 19108 22079 1 25 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.808 -0.831 19108 22080 1 25 . 1 1 72 72 GLU CA C 72 60.956 60.956 58.782 2.174 19108 22081 1 25 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.310 -0.304 19108 22082 1 25 . 1 1 72 72 GLU H H 72 12.692 12.692 8.350 4.342 19108 22083 1 25 . 1 1 73 73 LEU N N 73 114.882 114.882 121.725 -6.843 19108 22084 1 25 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.003 -0.418 19108 22085 1 25 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.658 -1.997 19108 22086 1 25 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.386 -2.141 19108 22087 1 25 . 1 1 73 73 LEU H H 73 6.637 6.637 8.068 -1.431 19108 22088 1 25 . 1 1 74 74 ARG N N 74 117.799 117.799 118.106 -0.307 19108 22089 1 25 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.639 0.404 19108 22090 1 25 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.752 -0.577 19108 22091 1 25 . 1 1 74 74 ARG H H 74 7.556 7.556 7.440 0.116 19108 22092 1 25 . 1 1 75 75 PHE N N 75 119.783 119.783 119.720 0.063 19108 22093 1 25 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.248 -0.687 19108 22094 1 25 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.170 2.503 19108 22095 1 25 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.972 -0.934 19108 22096 1 25 . 1 1 75 75 PHE H H 75 8.233 8.233 7.575 0.658 19108 22097 1 25 . 1 1 76 76 LEU N N 76 119.526 119.526 121.625 -2.099 19108 22098 1 25 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.471 0.087 19108 22099 1 25 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.596 0.443 19108 22100 1 25 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.682 -2.666 19108 22101 1 25 . 1 1 76 76 LEU H H 76 7.629 7.629 8.303 -0.674 19108 22102 1 25 . 1 1 77 77 ASP N N 77 118.215 118.215 119.572 -1.357 19108 22103 1 25 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.287 -0.129 19108 22104 1 25 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.676 -0.276 19108 22105 1 25 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.014 -0.646 19108 22106 1 25 . 1 1 77 77 ASP H H 77 8.190 8.190 7.611 0.579 19108 22107 1 25 . 1 1 78 78 LEU N N 78 117.496 117.496 118.922 -1.426 19108 22108 1 25 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.371 -0.081 19108 22109 1 25 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.237 -0.252 19108 22110 1 25 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.564 -0.163 19108 22111 1 25 . 1 1 78 78 LEU H H 78 7.252 7.252 7.686 -0.434 19108 22112 1 25 . 1 1 79 79 VAL N N 79 120.915 120.915 121.904 -0.989 19108 22113 1 25 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.672 -0.449 19108 22114 1 25 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.016 0.512 19108 22115 1 25 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.765 0.356 19108 22116 1 25 . 1 1 79 79 VAL H H 79 7.179 7.179 7.143 0.036 19108 22117 1 25 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.345 -0.370 19108 22118 1 25 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.405 1.382 19108 22119 1 25 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.135 -1.327 19108 22120 1 25 . 1 1 81 81 SER N N 81 112.727 112.727 112.580 0.147 19108 22121 1 25 . 1 1 81 81 SER HA H 81 4.314 4.314 4.274 0.040 19108 22122 1 25 . 1 1 81 81 SER CA C 81 60.618 60.618 60.498 0.120 19108 22123 1 25 . 1 1 81 81 SER CB C 81 63.450 63.450 63.424 0.026 19108 22124 1 25 . 1 1 81 81 SER H H 81 7.828 7.828 7.760 0.068 19108 22125 1 25 . 1 1 82 82 LEU N N 82 120.918 120.918 119.700 1.218 19108 22126 1 25 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.597 -0.723 19108 22127 1 25 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.111 0.381 19108 22128 1 25 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.189 -2.978 19108 22129 1 25 . 1 1 82 82 LEU H H 82 7.912 7.912 7.615 0.297 19108 22130 1 25 . 1 1 83 83 GLN N N 83 111.397 111.397 117.863 -6.466 19108 22131 1 25 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.037 -0.229 19108 22132 1 25 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.427 -0.261 19108 22133 1 25 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.853 -0.185 19108 22134 1 25 . 1 1 83 83 GLN H H 83 7.458 7.458 7.579 -0.121 19108 22135 1 25 . 1 1 84 84 LEU N N 84 118.520 118.520 119.764 -1.244 19108 22136 1 25 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.052 -0.333 19108 22137 1 25 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.738 -0.996 19108 22138 1 25 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.973 -2.728 19108 22139 1 25 . 1 1 84 84 LEU H H 84 8.736 8.736 8.136 0.600 19108 22140 1 25 . 1 1 85 85 ASP N N 85 126.187 126.187 123.073 3.114 19108 22141 1 25 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.909 -0.026 19108 22142 1 25 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.095 -0.749 19108 22143 1 25 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.654 0.294 19108 22144 1 25 . 1 1 85 85 ASP H H 85 8.415 8.415 8.227 0.188 19108 22145 1 25 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.951 -0.023 19108 22146 1 25 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.672 -0.034 19108 22147 1 25 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.081 -0.795 19108 22148 1 25 . 1 1 87 87 ALA N N 87 121.030 121.030 121.505 -0.475 19108 22149 1 25 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.153 0.265 19108 22150 1 25 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.847 -1.675 19108 22151 1 25 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.916 0.432 19108 22152 1 25 . 1 1 87 87 ALA H H 87 8.504 8.504 8.094 0.410 19108 22153 1 25 . 1 1 88 88 GLN N N 88 119.601 119.601 112.478 7.123 19108 22154 1 25 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.582 -0.060 19108 22155 1 25 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.342 -0.908 19108 22156 1 25 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.789 -0.740 19108 22157 1 25 . 1 1 88 88 GLN H H 88 8.125 8.125 7.469 0.656 19108 22158 1 25 . 1 1 89 89 ILE N N 89 118.195 118.195 118.199 -0.004 19108 22159 1 25 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.986 -0.017 19108 22160 1 25 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.110 -0.569 19108 22161 1 25 . 1 1 89 89 ILE CB C 89 39.252 39.252 39.935 -0.683 19108 22162 1 25 . 1 1 89 89 ILE H H 89 8.099 8.099 8.423 -0.324 19108 22163 1 25 . 1 1 90 90 TYR N N 90 122.421 122.421 122.930 -0.509 19108 22164 1 25 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.908 0.453 19108 22165 1 25 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.398 -1.358 19108 22166 1 25 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.744 -0.918 19108 22167 1 25 . 1 1 90 90 TYR H H 90 8.892 8.892 8.277 0.615 19108 22168 1 25 . 1 1 91 91 ARG N N 91 121.043 121.043 121.214 -0.171 19108 22169 1 25 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.034 0.209 19108 22170 1 25 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.511 -0.976 19108 22171 1 25 . 1 1 91 91 ARG CB C 91 33.132 33.132 32.798 0.334 19108 22172 1 25 . 1 1 91 91 ARG H H 91 9.327 9.327 9.018 0.309 19108 22173 1 25 . 1 1 92 92 VAL N N 92 132.287 132.287 127.550 4.737 19108 22174 1 25 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.884 0.040 19108 22175 1 25 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.386 -1.481 19108 22176 1 25 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.270 -0.417 19108 22177 1 25 . 1 1 92 92 VAL H H 92 9.668 9.668 8.760 0.908 19108 22178 1 25 . 1 1 93 93 THR N N 93 124.468 124.468 124.188 0.280 19108 22179 1 25 . 1 1 93 93 THR HA H 93 5.264 5.264 4.673 0.591 19108 22180 1 25 . 1 1 93 93 THR CA C 93 61.616 61.616 61.939 -0.323 19108 22181 1 25 . 1 1 93 93 THR CB C 93 70.082 70.082 69.405 0.677 19108 22182 1 25 . 1 1 93 93 THR H H 93 9.381 9.381 8.742 0.639 19108 22183 1 25 . 1 1 94 94 TRP N N 94 124.491 124.491 128.047 -3.556 19108 22184 1 25 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.955 0.711 19108 22185 1 25 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.055 -2.850 19108 22186 1 25 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.739 2.929 19108 22187 1 25 . 1 1 94 94 TRP H H 94 9.071 9.071 9.178 -0.107 19108 22188 1 25 . 1 1 95 95 PHE N N 95 122.179 122.179 122.782 -0.603 19108 22189 1 25 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.983 0.687 19108 22190 1 25 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.212 -0.438 19108 22191 1 25 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.183 -0.734 19108 22192 1 25 . 1 1 95 95 PHE H H 95 9.578 9.578 8.611 0.967 19108 22193 1 25 . 1 1 96 96 ILE N N 96 125.072 125.072 122.120 2.952 19108 22194 1 25 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.190 0.783 19108 22195 1 25 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.728 -1.302 19108 22196 1 25 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.475 4.598 19108 22197 1 25 . 1 1 96 96 ILE H H 96 9.816 9.816 9.276 0.540 19108 22198 1 25 . 1 1 97 97 SER N N 97 124.020 124.020 118.077 5.943 19108 22199 1 25 . 1 1 97 97 SER HA H 97 3.623 3.623 4.800 -1.177 19108 22200 1 25 . 1 1 97 97 SER CA C 97 61.750 61.750 60.483 1.267 19108 22201 1 25 . 1 1 97 97 SER CB C 97 63.711 63.711 63.823 -0.112 19108 22202 1 25 . 1 1 97 97 SER H H 97 9.156 9.156 8.452 0.704 19108 22203 1 25 . 1 1 98 98 TRP N N 98 114.829 114.829 120.780 -5.951 19108 22204 1 25 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.123 0.216 19108 22205 1 25 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.773 -2.102 19108 22206 1 25 . 1 1 98 98 TRP CB C 98 34.751 34.751 32.111 2.640 19108 22207 1 25 . 1 1 98 98 TRP H H 98 6.619 6.619 7.640 -1.021 19108 22208 1 25 . 1 1 99 99 SER N N 99 115.444 115.444 115.563 -0.119 19108 22209 1 25 . 1 1 99 99 SER CA C 99 58.045 58.045 55.564 2.481 19108 22210 1 25 . 1 1 99 99 SER CB C 99 61.927 61.927 64.427 -2.501 19108 22211 1 25 . 1 1 99 99 SER H H 99 8.590 8.590 8.442 0.148 19108 22212 1 25 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.446 -1.521 19108 22213 1 25 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.307 2.489 19108 22214 1 25 . 1 1 101 101 CYS N N 101 121.768 121.768 115.579 6.189 19108 22215 1 25 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.800 -0.141 19108 22216 1 25 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.750 0.439 19108 22217 1 25 . 1 1 101 101 CYS H H 101 8.686 8.686 8.151 0.535 19108 22218 1 25 . 1 1 102 102 PHE N N 102 115.031 115.031 122.707 -7.676 19108 22219 1 25 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.171 1.789 19108 22220 1 25 . 1 1 102 102 PHE CB C 102 40.157 40.157 41.906 -1.749 19108 22221 1 25 . 1 1 102 102 PHE H H 102 9.318 9.318 8.154 1.164 19108 22222 1 25 . 1 1 103 103 SER N N 103 119.552 119.552 122.524 -2.972 19108 22223 1 25 . 1 1 103 103 SER HA H 103 3.713 3.713 4.101 -0.388 19108 22224 1 25 . 1 1 103 103 SER CA C 103 63.368 63.368 61.875 1.493 19108 22225 1 25 . 1 1 103 103 SER CB C 103 60.539 60.539 63.236 -2.697 19108 22226 1 25 . 1 1 103 103 SER H H 103 10.858 10.858 8.692 2.166 19108 22227 1 25 . 1 1 104 104 TRP N N 104 117.909 117.909 120.101 -2.192 19108 22228 1 25 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.835 -1.059 19108 22229 1 25 . 1 1 104 104 TRP CA C 104 59.214 59.214 57.790 1.424 19108 22230 1 25 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.678 -1.792 19108 22231 1 25 . 1 1 104 104 TRP H H 104 7.880 7.880 8.361 -0.481 19108 22232 1 25 . 1 1 105 105 GLY N N 105 106.359 106.359 108.237 -1.878 19108 22233 1 25 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.147 -1.066 19108 22234 1 25 . 1 1 105 105 GLY H H 105 7.468 7.468 8.997 -1.529 19108 22235 1 25 . 1 1 106 106 CYS N N 106 120.359 120.359 121.569 -1.210 19108 22236 1 25 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.497 -0.638 19108 22237 1 25 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.813 5.289 19108 22238 1 25 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.073 2.645 19108 22239 1 25 . 1 1 106 106 CYS H H 106 7.366 7.366 8.524 -1.158 19108 22240 1 25 . 1 1 107 107 ALA N N 107 119.725 119.725 123.503 -3.778 19108 22241 1 25 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.041 -0.176 19108 22242 1 25 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.185 1.749 19108 22243 1 25 . 1 1 107 107 ALA CB C 107 18.443 18.443 17.979 0.465 19108 22244 1 25 . 1 1 107 107 ALA H H 107 8.719 8.719 8.605 0.114 19108 22245 1 25 . 1 1 108 108 GLY N N 108 103.829 103.829 107.684 -3.855 19108 22246 1 25 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.395 -0.500 19108 22247 1 25 . 1 1 108 108 GLY H H 108 8.555 8.555 8.107 0.449 19108 22248 1 25 . 1 1 109 109 GLU N N 109 123.162 123.162 122.505 0.657 19108 22249 1 25 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.081 0.185 19108 22250 1 25 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.465 -0.173 19108 22251 1 25 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.397 0.985 19108 22252 1 25 . 1 1 109 109 GLU H H 109 8.023 8.023 7.765 0.258 19108 22253 1 25 . 1 1 110 110 VAL N N 110 121.866 121.866 119.834 2.032 19108 22254 1 25 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.533 0.166 19108 22255 1 25 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.659 0.384 19108 22256 1 25 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.639 -0.633 19108 22257 1 25 . 1 1 110 110 VAL H H 110 8.942 8.942 7.730 1.212 19108 22258 1 25 . 1 1 111 111 ARG N N 111 120.587 120.587 119.836 0.751 19108 22259 1 25 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.790 -0.004 19108 22260 1 25 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.683 0.398 19108 22261 1 25 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.938 -0.763 19108 22262 1 25 . 1 1 111 111 ARG H H 111 8.653 8.653 8.341 0.312 19108 22263 1 25 . 1 1 112 112 ALA N N 112 120.687 120.687 120.807 -0.120 19108 22264 1 25 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.029 0.105 19108 22265 1 25 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.082 0.336 19108 22266 1 25 . 1 1 112 112 ALA CB C 112 17.991 17.991 17.990 0.001 19108 22267 1 25 . 1 1 112 112 ALA H H 112 7.875 7.875 8.158 -0.283 19108 22268 1 25 . 1 1 113 113 PHE N N 113 118.950 118.950 119.678 -0.728 19108 22269 1 25 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.292 0.045 19108 22270 1 25 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.447 -0.070 19108 22271 1 25 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.069 0.318 19108 22272 1 25 . 1 1 113 113 PHE H H 113 8.139 8.139 7.558 0.581 19108 22273 1 25 . 1 1 114 114 LEU N N 114 120.595 120.595 119.237 1.358 19108 22274 1 25 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.817 -0.017 19108 22275 1 25 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.951 -0.818 19108 22276 1 25 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.241 -0.332 19108 22277 1 25 . 1 1 114 114 LEU H H 114 8.639 8.639 8.183 0.456 19108 22278 1 25 . 1 1 115 115 GLN N N 115 117.666 117.666 117.596 0.070 19108 22279 1 25 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.008 0.015 19108 22280 1 25 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.822 -0.436 19108 22281 1 25 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.503 0.035 19108 22282 1 25 . 1 1 115 115 GLN H H 115 8.167 8.167 8.530 -0.363 19108 22283 1 25 . 1 1 116 116 GLU N N 116 115.380 115.380 116.100 -0.720 19108 22284 1 25 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.456 -0.134 19108 22285 1 25 . 1 1 116 116 GLU CA C 116 57.062 57.062 55.942 1.120 19108 22286 1 25 . 1 1 116 116 GLU CB C 116 30.715 30.715 29.387 1.328 19108 22287 1 25 . 1 1 116 116 GLU H H 116 7.448 7.448 7.837 -0.389 19108 22288 1 25 . 1 1 117 117 ASN N N 117 119.831 119.831 117.831 2.000 19108 22289 1 25 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.889 0.176 19108 22290 1 25 . 1 1 117 117 ASN CA C 117 52.185 52.185 53.009 -0.824 19108 22291 1 25 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.891 -1.645 19108 22292 1 25 . 1 1 117 117 ASN H H 117 7.632 7.632 8.101 -0.469 19108 22293 1 25 . 1 1 118 118 THR N N 118 111.041 111.041 117.008 -5.967 19108 22294 1 25 . 1 1 118 118 THR HA H 118 4.317 4.317 3.925 0.392 19108 22295 1 25 . 1 1 118 118 THR CA C 118 64.081 64.081 65.557 -1.476 19108 22296 1 25 . 1 1 118 118 THR CB C 118 68.767 68.767 68.787 -0.020 19108 22297 1 25 . 1 1 118 118 THR H H 118 8.054 8.054 7.840 0.214 19108 22298 1 25 . 1 1 119 119 HIS N N 119 120.403 120.403 115.993 4.410 19108 22299 1 25 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.613 -0.324 19108 22300 1 25 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.904 0.697 19108 22301 1 25 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.119 1.201 19108 22302 1 25 . 1 1 119 119 HIS H H 119 9.248 9.248 8.187 1.061 19108 22303 1 25 . 1 1 120 120 VAL N N 120 120.001 120.001 119.628 0.373 19108 22304 1 25 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.558 -0.032 19108 22305 1 25 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.763 1.127 19108 22306 1 25 . 1 1 120 120 VAL CB C 120 32.995 32.995 33.221 -0.227 19108 22307 1 25 . 1 1 120 120 VAL H H 120 7.379 7.379 7.935 -0.556 19108 22308 1 25 . 1 1 121 121 ARG N N 121 125.312 125.312 127.981 -2.669 19108 22309 1 25 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.508 0.302 19108 22310 1 25 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.278 -1.211 19108 22311 1 25 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.484 -1.904 19108 22312 1 25 . 1 1 121 121 ARG H H 121 8.775 8.775 8.466 0.309 19108 22313 1 25 . 1 1 122 122 LEU N N 122 125.483 125.483 123.693 1.790 19108 22314 1 25 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.060 0.100 19108 22315 1 25 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.374 -0.073 19108 22316 1 25 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.971 1.702 19108 22317 1 25 . 1 1 122 122 LEU H H 122 9.345 9.345 8.522 0.823 19108 22318 1 25 . 1 1 123 123 ARG N N 123 127.748 127.748 124.376 3.372 19108 22319 1 25 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.330 0.406 19108 22320 1 25 . 1 1 123 123 ARG CA C 123 54.167 54.167 52.787 1.380 19108 22321 1 25 . 1 1 123 123 ARG CB C 123 32.812 32.812 30.122 2.690 19108 22322 1 25 . 1 1 123 123 ARG H H 123 9.053 9.053 8.190 0.863 19108 22323 1 25 . 1 1 124 124 ILE N N 124 123.665 123.665 124.523 -0.858 19108 22324 1 25 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.133 0.309 19108 22325 1 25 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.070 0.689 19108 22326 1 25 . 1 1 124 124 ILE CB C 124 41.893 41.893 39.648 2.245 19108 22327 1 25 . 1 1 124 124 ILE H H 124 9.019 9.019 8.345 0.674 19108 22328 1 25 . 1 1 125 125 PHE N N 125 126.320 126.320 127.324 -1.004 19108 22329 1 25 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.442 -0.277 19108 22330 1 25 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.688 0.226 19108 22331 1 25 . 1 1 125 125 PHE CB C 125 40.819 40.819 41.218 -0.398 19108 22332 1 25 . 1 1 125 125 PHE H H 125 9.359 9.359 8.109 1.250 19108 22333 1 25 . 1 1 126 126 ALA N N 126 124.526 124.526 127.988 -3.462 19108 22334 1 25 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.070 0.746 19108 22335 1 25 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.453 -1.583 19108 22336 1 25 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.486 0.848 19108 22337 1 25 . 1 1 126 126 ALA H H 126 9.091 9.091 8.522 0.569 19108 22338 1 25 . 1 1 127 127 ALA N N 127 126.272 126.272 130.724 -4.452 19108 22339 1 25 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.447 0.304 19108 22340 1 25 . 1 1 127 127 ALA CA C 127 55.468 55.468 54.140 1.328 19108 22341 1 25 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.939 -0.334 19108 22342 1 25 . 1 1 127 127 ALA H H 127 9.049 9.049 9.084 -0.035 19108 22343 1 25 . 1 1 128 128 ARG N N 128 108.570 108.570 117.269 -8.699 19108 22344 1 25 . 1 1 128 128 ARG CA C 128 54.414 54.414 53.913 0.501 19108 22345 1 25 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.380 3.826 19108 22346 1 25 . 1 1 128 128 ARG H H 128 6.741 6.741 8.008 -1.267 19108 22347 1 25 . 1 1 129 129 ILE N N 129 121.285 121.285 121.317 -0.032 19108 22348 1 25 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.164 0.127 19108 22349 1 25 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.986 -0.119 19108 22350 1 25 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.160 -0.331 19108 22351 1 25 . 1 1 129 129 ILE H H 129 8.340 8.340 8.141 0.199 19108 22352 1 25 . 1 1 130 130 TYR N N 130 130.143 130.143 126.693 3.450 19108 22353 1 25 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.621 0.714 19108 22354 1 25 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.777 -0.851 19108 22355 1 25 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.751 -2.588 19108 22356 1 25 . 1 1 130 130 TYR H H 130 8.870 8.870 8.386 0.484 19108 22357 1 25 . 1 1 131 131 ASP N N 131 123.662 123.662 124.379 -0.717 19108 22358 1 25 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.829 -1.162 19108 22359 1 25 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.568 1.145 19108 22360 1 25 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.478 -3.577 19108 22361 1 25 . 1 1 131 131 ASP H H 131 8.123 8.123 8.072 0.051 19108 22362 1 25 . 1 1 132 132 TYR N N 132 116.852 116.852 115.303 1.549 19108 22363 1 25 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.706 -0.791 19108 22364 1 25 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.253 1.215 19108 22365 1 25 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.554 0.483 19108 22366 1 25 . 1 1 132 132 TYR H H 132 6.448 6.448 8.664 -2.216 19108 22367 1 25 . 1 1 133 133 ASP N N 133 116.930 116.930 122.128 -5.198 19108 22368 1 25 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.037 -0.872 19108 22369 1 25 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.877 1.905 19108 22370 1 25 . 1 1 133 133 ASP H H 133 7.005 7.005 7.646 -0.641 19108 22371 1 25 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.337 -0.234 19108 22372 1 25 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.232 -0.531 19108 22373 1 25 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.781 0.309 19108 22374 1 25 . 1 1 135 135 LEU N N 135 120.252 120.252 117.752 2.500 19108 22375 1 25 . 1 1 135 135 LEU HA H 135 4.698 4.698 3.788 0.910 19108 22376 1 25 . 1 1 135 135 LEU CA C 135 54.381 54.381 57.140 -2.759 19108 22377 1 25 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.533 -1.789 19108 22378 1 25 . 1 1 135 135 LEU H H 135 8.456 8.456 7.668 0.788 19108 22379 1 25 . 1 1 136 136 TYR N N 136 117.432 117.432 119.045 -1.613 19108 22380 1 25 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.861 0.200 19108 22381 1 25 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.692 0.366 19108 22382 1 25 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.510 0.070 19108 22383 1 25 . 1 1 136 136 TYR H H 136 8.028 8.028 7.571 0.457 19108 22384 1 25 . 1 1 137 137 LYS N N 137 122.000 122.000 119.091 2.909 19108 22385 1 25 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.617 0.682 19108 22386 1 25 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.744 -0.946 19108 22387 1 25 . 1 1 137 137 LYS H H 137 7.503 7.503 8.150 -0.647 19108 22388 1 25 . 1 1 138 138 GLU N N 138 121.833 121.833 119.100 2.733 19108 22389 1 25 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.911 0.930 19108 22390 1 25 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.190 -1.721 19108 22391 1 25 . 1 1 138 138 GLU H H 138 8.752 8.752 7.749 1.003 19108 22392 1 25 . 1 1 139 139 ALA N N 139 119.592 119.592 122.990 -3.398 19108 22393 1 25 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.083 -0.237 19108 22394 1 25 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.771 0.369 19108 22395 1 25 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.518 1.737 19108 22396 1 25 . 1 1 139 139 ALA H H 139 7.682 7.682 7.453 0.229 19108 22397 1 25 . 1 1 140 140 LEU N N 140 116.268 116.268 119.730 -3.462 19108 22398 1 25 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.914 0.279 19108 22399 1 25 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.795 -0.700 19108 22400 1 25 . 1 1 140 140 LEU H H 140 7.175 7.175 7.781 -0.606 19108 22401 1 25 . 1 1 141 141 GLN N N 141 117.550 117.550 118.170 -0.620 19108 22402 1 25 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.998 -0.279 19108 22403 1 25 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.411 0.640 19108 22404 1 25 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.489 -0.895 19108 22405 1 25 . 1 1 141 141 GLN H H 141 8.322 8.322 7.558 0.764 19108 22406 1 25 . 1 1 142 142 MET N N 142 118.520 118.520 120.355 -1.835 19108 22407 1 25 . 1 1 142 142 MET HA H 142 4.135 4.135 4.051 0.084 19108 22408 1 25 . 1 1 142 142 MET CA C 142 59.051 59.051 58.477 0.574 19108 22409 1 25 . 1 1 142 142 MET CB C 142 33.170 33.170 32.371 0.799 19108 22410 1 25 . 1 1 142 142 MET H H 142 8.241 8.241 8.228 0.013 19108 22411 1 25 . 1 1 143 143 LEU N N 143 118.659 118.659 119.821 -1.162 19108 22412 1 25 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.848 0.444 19108 22413 1 25 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.873 0.242 19108 22414 1 25 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.620 -0.243 19108 22415 1 25 . 1 1 143 143 LEU H H 143 7.932 7.932 8.278 -0.346 19108 22416 1 25 . 1 1 144 144 ARG N N 144 121.294 121.294 119.764 1.530 19108 22417 1 25 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.873 0.553 19108 22418 1 25 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.503 -0.514 19108 22419 1 25 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.789 -1.681 19108 22420 1 25 . 1 1 144 144 ARG H H 144 7.968 7.968 7.676 0.292 19108 22421 1 25 . 1 1 145 145 ASP N N 145 122.553 122.553 119.429 3.124 19108 22422 1 25 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.391 0.038 19108 22423 1 25 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.740 -0.162 19108 22424 1 25 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.646 -1.056 19108 22425 1 25 . 1 1 145 145 ASP H H 145 8.868 8.868 7.801 1.067 19108 22426 1 25 . 1 1 146 146 ALA N N 146 120.102 120.102 118.907 1.195 19108 22427 1 25 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.187 0.231 19108 22428 1 25 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.734 -0.700 19108 22429 1 25 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.697 -0.402 19108 22430 1 25 . 1 1 146 146 ALA H H 146 7.737 7.737 7.873 -0.136 19108 22431 1 25 . 1 1 147 147 GLY N N 147 105.039 105.039 105.215 -0.176 19108 22432 1 25 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.867 -0.003 19108 22433 1 25 . 1 1 147 147 GLY H H 147 7.966 7.966 8.018 -0.052 19108 22434 1 25 . 1 1 148 148 ALA N N 148 124.181 124.181 124.345 -0.164 19108 22435 1 25 . 1 1 148 148 ALA HA H 148 4.689 4.689 3.993 0.696 19108 22436 1 25 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.694 -1.235 19108 22437 1 25 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.666 -1.188 19108 22438 1 25 . 1 1 148 148 ALA H H 148 8.051 8.051 7.726 0.325 19108 22439 1 25 . 1 1 149 149 GLN N N 149 122.185 122.185 119.222 2.963 19108 22440 1 25 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.634 -0.195 19108 22441 1 25 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.619 0.336 19108 22442 1 25 . 1 1 149 149 GLN CB C 149 29.421 29.421 31.062 -1.641 19108 22443 1 25 . 1 1 149 149 GLN H H 149 7.953 7.953 7.815 0.138 19108 22444 1 25 . 1 1 150 150 VAL N N 150 127.399 127.399 124.171 3.228 19108 22445 1 25 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.485 0.267 19108 22446 1 25 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.073 0.366 19108 22447 1 25 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.397 -0.219 19108 22448 1 25 . 1 1 150 150 VAL H H 150 8.658 8.658 8.366 0.292 19108 22449 1 25 . 1 1 151 151 SER N N 151 120.616 120.616 119.705 0.911 19108 22450 1 25 . 1 1 151 151 SER HA H 151 5.179 5.179 4.853 0.326 19108 22451 1 25 . 1 1 151 151 SER CA C 151 56.981 56.981 56.764 0.217 19108 22452 1 25 . 1 1 151 151 SER CB C 151 66.538 66.538 66.611 -0.073 19108 22453 1 25 . 1 1 151 151 SER H H 151 8.737 8.737 8.326 0.411 19108 22454 1 25 . 1 1 152 152 ILE N N 152 123.180 123.180 123.495 -0.315 19108 22455 1 25 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.601 0.546 19108 22456 1 25 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.328 -3.809 19108 22457 1 25 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.281 -1.201 19108 22458 1 25 . 1 1 152 152 ILE H H 152 8.672 8.672 8.912 -0.240 19108 22459 1 25 . 1 1 153 153 MET N N 153 123.477 123.477 129.108 -5.631 19108 22460 1 25 . 1 1 153 153 MET HA H 153 3.886 3.886 4.346 -0.460 19108 22461 1 25 . 1 1 153 153 MET CA C 153 59.053 59.053 56.669 2.384 19108 22462 1 25 . 1 1 153 153 MET CB C 153 34.793 34.793 33.017 1.776 19108 22463 1 25 . 1 1 153 153 MET H H 153 8.314 8.314 8.165 0.149 19108 22464 1 25 . 1 1 154 154 THR N N 154 117.621 117.621 115.422 2.199 19108 22465 1 25 . 1 1 154 154 THR HA H 154 4.951 4.951 4.766 0.185 19108 22466 1 25 . 1 1 154 154 THR CA C 154 60.436 60.436 59.298 1.138 19108 22467 1 25 . 1 1 154 154 THR CB C 154 72.370 72.370 72.075 0.295 19108 22468 1 25 . 1 1 154 154 THR H H 154 9.630 9.630 7.920 1.710 19108 22469 1 25 . 1 1 155 155 TYR N N 155 121.751 121.751 123.217 -1.466 19108 22470 1 25 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.073 0.026 19108 22471 1 25 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.101 2.338 19108 22472 1 25 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.267 1.019 19108 22473 1 25 . 1 1 155 155 TYR H H 155 9.769 9.769 9.131 0.638 19108 22474 1 25 . 1 1 156 156 ASP N N 156 115.555 115.555 117.232 -1.677 19108 22475 1 25 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.104 0.004 19108 22476 1 25 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.099 0.161 19108 22477 1 25 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.453 0.165 19108 22478 1 25 . 1 1 156 156 ASP H H 156 8.230 8.230 8.590 -0.360 19108 22479 1 25 . 1 1 157 157 GLU N N 157 117.678 117.678 119.520 -1.842 19108 22480 1 25 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.945 -0.075 19108 22481 1 25 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.268 1.239 19108 22482 1 25 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.471 1.577 19108 22483 1 25 . 1 1 157 157 GLU H H 157 7.470 7.470 7.529 -0.059 19108 22484 1 25 . 1 1 158 158 PHE N N 158 119.869 119.869 119.680 0.189 19108 22485 1 25 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.109 -0.280 19108 22486 1 25 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.853 0.923 19108 22487 1 25 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.968 0.939 19108 22488 1 25 . 1 1 158 158 PHE H H 158 8.077 8.077 8.474 -0.397 19108 22489 1 25 . 1 1 159 159 LYS N N 159 118.859 118.859 119.822 -0.963 19108 22490 1 25 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.878 0.039 19108 22491 1 25 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.901 -0.670 19108 22492 1 25 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.187 -0.224 19108 22493 1 25 . 1 1 159 159 LYS H H 159 8.273 8.273 7.890 0.383 19108 22494 1 25 . 1 1 160 160 HIS N N 160 115.889 115.889 118.916 -3.027 19108 22495 1 25 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.493 -0.334 19108 22496 1 25 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.841 1.140 19108 22497 1 25 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.692 -1.762 19108 22498 1 25 . 1 1 160 160 HIS H H 160 7.695 7.695 7.728 -0.033 19108 22499 1 25 . 1 1 161 161 CYS N N 161 118.188 118.188 117.922 0.266 19108 22500 1 25 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.098 0.691 19108 22501 1 25 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.161 0.633 19108 22502 1 25 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.553 1.333 19108 22503 1 25 . 1 1 161 161 CYS H H 161 7.885 7.885 8.083 -0.198 19108 22504 1 25 . 1 1 162 162 TRP N N 162 122.741 122.741 122.143 0.598 19108 22505 1 25 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.413 0.351 19108 22506 1 25 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.623 0.094 19108 22507 1 25 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.143 -0.550 19108 22508 1 25 . 1 1 162 162 TRP H H 162 8.040 8.040 7.751 0.289 19108 22509 1 25 . 1 1 163 163 ASP N N 163 113.796 113.796 117.174 -3.378 19108 22510 1 25 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.181 0.945 19108 22511 1 25 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.153 1.776 19108 22512 1 25 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.187 1.348 19108 22513 1 25 . 1 1 163 163 ASP H H 163 8.319 8.319 7.795 0.524 19108 22514 1 25 . 1 1 164 164 THR N N 164 112.008 112.008 113.727 -1.719 19108 22515 1 25 . 1 1 164 164 THR HA H 164 3.803 3.803 3.930 -0.127 19108 22516 1 25 . 1 1 164 164 THR CA C 164 65.164 65.164 64.159 1.005 19108 22517 1 25 . 1 1 164 164 THR CB C 164 70.171 70.171 69.187 0.984 19108 22518 1 25 . 1 1 164 164 THR H H 164 7.494 7.494 7.474 0.020 19108 22519 1 25 . 1 1 165 165 PHE N N 165 115.079 115.079 118.154 -3.075 19108 22520 1 25 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.549 -0.014 19108 22521 1 25 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.194 0.775 19108 22522 1 25 . 1 1 165 165 PHE CB C 165 40.368 40.368 41.100 -0.732 19108 22523 1 25 . 1 1 165 165 PHE H H 165 8.235 8.235 7.141 1.094 19108 22524 1 25 . 1 1 166 166 VAL N N 166 118.432 118.432 118.552 -0.120 19108 22525 1 25 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.311 -0.286 19108 22526 1 25 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.246 0.755 19108 22527 1 25 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.215 -2.860 19108 22528 1 25 . 1 1 166 166 VAL H H 166 6.838 6.838 7.067 -0.229 19108 22529 1 25 . 1 1 167 167 ASP N N 167 126.263 126.263 128.148 -1.885 19108 22530 1 25 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.527 -0.679 19108 22531 1 25 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.864 -2.234 19108 22532 1 25 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.554 -1.474 19108 22533 1 25 . 1 1 167 167 ASP H H 167 8.498 8.498 8.379 0.119 19108 22534 1 25 . 1 1 168 168 HIS N N 168 119.890 119.890 115.108 4.782 19108 22535 1 25 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.381 -0.035 19108 22536 1 25 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.292 -0.717 19108 22537 1 25 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.730 2.732 19108 22538 1 25 . 1 1 168 168 HIS H H 168 6.977 6.977 8.249 -1.272 19108 22539 1 25 . 1 1 169 169 GLN N N 169 119.254 119.254 113.129 6.125 19108 22540 1 25 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.993 -0.270 19108 22541 1 25 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.884 -0.114 19108 22542 1 25 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.475 -0.954 19108 22543 1 25 . 1 1 169 169 GLN H H 169 9.126 9.126 8.783 0.343 19108 22544 1 25 . 1 1 170 170 GLY N N 170 111.911 111.911 103.698 8.213 19108 22545 1 25 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.040 0.784 19108 22546 1 25 . 1 1 170 170 GLY H H 170 11.556 11.556 6.465 5.090 19108 22547 1 25 . 1 1 171 171 CYS N N 171 123.390 123.390 120.120 3.270 19108 22548 1 25 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.114 -0.398 19108 22549 1 25 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.237 2.547 19108 22550 1 25 . 1 1 171 171 CYS CB C 171 27.904 27.904 30.043 -2.139 19108 22551 1 25 . 1 1 171 171 CYS H H 171 8.044 8.044 7.078 0.966 19108 22552 1 25 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.754 -0.136 19108 22553 1 25 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.619 -0.761 19108 22554 1 25 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.481 0.048 19108 22555 1 25 . 1 1 173 173 PHE N N 173 121.101 121.101 119.395 1.706 19108 22556 1 25 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.229 -1.573 19108 22557 1 25 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.275 1.266 19108 22558 1 25 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.811 -1.065 19108 22559 1 25 . 1 1 173 173 PHE H H 173 8.842 8.842 8.110 0.732 19108 22560 1 25 . 1 1 174 174 GLN N N 174 129.493 129.493 126.148 3.345 19108 22561 1 25 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.217 0.100 19108 22562 1 25 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.948 -2.153 19108 22563 1 25 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.653 0.444 19108 22564 1 25 . 1 1 174 174 GLN H H 174 7.250 7.250 8.039 -0.789 19108 22565 1 25 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.917 -1.003 19108 22566 1 25 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.302 0.121 19108 22567 1 25 . 1 1 176 176 TRP N N 176 118.133 118.133 120.388 -2.255 19108 22568 1 25 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.849 -0.216 19108 22569 1 25 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.046 0.116 19108 22570 1 25 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.686 -0.798 19108 22571 1 25 . 1 1 176 176 TRP H H 176 5.591 5.591 7.399 -1.808 19108 22572 1 25 . 1 1 177 177 ASP N N 177 121.814 121.814 125.153 -3.339 19108 22573 1 25 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.363 0.034 19108 22574 1 25 . 1 1 177 177 ASP CA C 177 56.172 56.172 56.175 -0.003 19108 22575 1 25 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.522 1.153 19108 22576 1 25 . 1 1 177 177 ASP H H 177 8.848 8.848 8.850 -0.002 19108 22577 1 25 . 1 1 178 178 GLY N N 178 111.875 111.875 109.677 2.198 19108 22578 1 25 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.364 0.302 19108 22579 1 25 . 1 1 178 178 GLY H H 178 8.987 8.987 8.181 0.806 19108 22580 1 25 . 1 1 179 179 LEU N N 179 121.470 121.470 123.031 -1.561 19108 22581 1 25 . 1 1 179 179 LEU HA H 179 4.488 4.488 3.845 0.643 19108 22582 1 25 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.429 2.353 19108 22583 1 25 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.469 0.760 19108 22584 1 25 . 1 1 179 179 LEU H H 179 7.148 7.148 8.218 -1.070 19108 22585 1 25 . 1 1 180 180 ASP N N 180 119.476 119.476 118.524 0.952 19108 22586 1 25 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.183 0.309 19108 22587 1 25 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.987 -0.048 19108 22588 1 25 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.272 0.441 19108 22589 1 25 . 1 1 180 180 ASP H H 180 8.874 8.874 8.561 0.313 19108 22590 1 25 . 1 1 181 181 GLU N N 181 122.379 122.379 119.657 2.722 19108 22591 1 25 . 1 1 181 181 GLU HA H 181 4.012 4.012 4.013 -0.001 19108 22592 1 25 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.537 0.432 19108 22593 1 25 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.557 -0.631 19108 22594 1 25 . 1 1 181 181 GLU H H 181 8.712 8.712 7.799 0.913 19108 22595 1 25 . 1 1 182 182 HIS N N 182 118.572 118.572 118.486 0.086 19108 22596 1 25 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.288 0.466 19108 22597 1 25 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.397 -0.368 19108 22598 1 25 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.646 -0.798 19108 22599 1 25 . 1 1 182 182 HIS H H 182 8.854 8.854 8.542 0.312 19108 22600 1 25 . 1 1 183 183 SER N N 183 116.329 116.329 114.638 1.691 19108 22601 1 25 . 1 1 183 183 SER HA H 183 4.554 4.554 4.144 0.410 19108 22602 1 25 . 1 1 183 183 SER CA C 183 63.604 63.604 62.432 1.172 19108 22603 1 25 . 1 1 183 183 SER CB C 183 65.216 65.216 62.559 2.657 19108 22604 1 25 . 1 1 183 183 SER H H 183 8.665 8.665 8.619 0.046 19108 22605 1 25 . 1 1 184 184 GLN N N 184 122.215 122.215 120.173 2.042 19108 22606 1 25 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.052 0.195 19108 22607 1 25 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.705 0.255 19108 22608 1 25 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.536 0.399 19108 22609 1 25 . 1 1 184 184 GLN H H 184 8.714 8.714 7.650 1.064 19108 22610 1 25 . 1 1 185 185 ALA N N 185 124.432 124.432 122.352 2.080 19108 22611 1 25 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.120 0.164 19108 22612 1 25 . 1 1 185 185 ALA CA C 185 55.469 55.469 54.781 0.688 19108 22613 1 25 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.423 -0.049 19108 22614 1 25 . 1 1 185 185 ALA H H 185 8.258 8.258 7.760 0.498 19108 22615 1 25 . 1 1 186 186 LEU N N 186 119.941 119.941 119.165 0.776 19108 22616 1 25 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.846 0.366 19108 22617 1 25 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.353 -0.137 19108 22618 1 25 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.617 1.147 19108 22619 1 25 . 1 1 186 186 LEU H H 186 8.953 8.953 8.705 0.248 19108 22620 1 25 . 1 1 187 187 SER N N 187 116.987 116.987 113.395 3.592 19108 22621 1 25 . 1 1 187 187 SER HA H 187 4.039 4.039 4.089 -0.050 19108 22622 1 25 . 1 1 187 187 SER CA C 187 63.302 63.302 62.135 1.167 19108 22623 1 25 . 1 1 187 187 SER CB C 187 62.760 62.760 62.789 -0.029 19108 22624 1 25 . 1 1 187 187 SER H H 187 8.935 8.935 8.502 0.433 19108 22625 1 25 . 1 1 188 188 GLY N N 188 110.215 110.215 107.817 2.398 19108 22626 1 25 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.754 0.400 19108 22627 1 25 . 1 1 188 188 GLY H H 188 8.228 8.228 7.812 0.416 19108 22628 1 25 . 1 1 189 189 ARG N N 189 122.994 122.994 122.456 0.538 19108 22629 1 25 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.152 0.085 19108 22630 1 25 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.928 0.631 19108 22631 1 25 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.168 0.227 19108 22632 1 25 . 1 1 189 189 ARG H H 189 7.838 7.838 7.628 0.210 19108 22633 1 25 . 1 1 190 190 LEU N N 190 119.765 119.765 119.909 -0.144 19108 22634 1 25 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.209 0.029 19108 22635 1 25 . 1 1 190 190 LEU CA C 190 58.219 58.219 57.792 0.427 19108 22636 1 25 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.978 -0.737 19108 22637 1 25 . 1 1 190 190 LEU H H 190 8.791 8.791 7.811 0.980 19108 22638 1 25 . 1 1 191 191 ARG N N 191 118.427 118.427 118.874 -0.447 19108 22639 1 25 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.132 -0.089 19108 22640 1 25 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.866 0.916 19108 22641 1 25 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.274 -0.083 19108 22642 1 25 . 1 1 191 191 ARG H H 191 8.305 8.305 7.957 0.348 19108 22643 1 25 . 1 1 192 192 ALA N N 192 119.414 119.414 122.649 -3.235 19108 22644 1 25 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.092 0.125 19108 22645 1 25 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.766 -0.050 19108 22646 1 25 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.814 -0.649 19108 22647 1 25 . 1 1 192 192 ALA H H 192 7.414 7.414 7.724 -0.310 19108 22648 1 25 . 1 1 193 193 ILE N N 193 118.949 118.949 118.851 0.098 19108 22649 1 25 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.823 -0.053 19108 22650 1 25 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.291 0.547 19108 22651 1 25 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.444 1.002 19108 22652 1 25 . 1 1 193 193 ILE H H 193 7.896 7.896 7.819 0.077 19108 22653 1 25 . 1 1 194 194 LEU N N 194 116.435 116.435 118.083 -1.648 19108 22654 1 25 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.412 -0.139 19108 22655 1 25 . 1 1 194 194 LEU CA C 194 55.713 55.713 54.100 1.613 19108 22656 1 25 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.630 -2.159 19108 22657 1 25 . 1 1 194 194 LEU H H 194 8.296 8.296 7.799 0.497 19108 22658 1 25 . 1 1 195 195 GLN N N 195 118.580 118.580 115.728 2.852 19108 22659 1 25 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.884 0.451 19108 22660 1 25 . 1 1 195 195 GLN CA C 195 56.417 56.417 58.688 -2.271 19108 22661 1 25 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.846 1.752 19108 22662 1 25 . 1 1 195 195 GLN H H 195 7.921 7.921 8.361 -0.440 19108 22663 1 25 . 1 1 196 196 ASN N N 196 118.941 118.941 117.747 1.194 19108 22664 1 25 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.908 -0.206 19108 22665 1 25 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.916 0.534 19108 22666 1 25 . 1 1 196 196 ASN CB C 196 38.825 38.825 40.317 -1.492 19108 22667 1 25 . 1 1 196 196 ASN H H 196 8.078 8.078 8.517 -0.439 19108 22668 1 25 . 1 1 197 197 GLN N N 197 120.984 120.984 120.609 0.375 19108 22669 1 25 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.413 -0.057 19108 22670 1 25 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.894 0.272 19108 22671 1 25 . 1 1 197 197 GLN CB C 197 29.496 29.496 28.866 0.631 19108 22672 1 25 . 1 1 197 197 GLN H H 197 8.526 8.526 8.594 -0.068 19108 22673 1 25 . 1 1 198 198 GLY N N 198 109.565 109.565 107.279 2.286 19108 22674 1 25 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.732 0.652 19108 22675 1 25 . 1 1 198 198 GLY H H 198 8.467 8.467 8.123 0.344 19108 22676 1 26 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.549 -0.175 19108 22677 1 26 . 1 1 2 2 GLU CA C 2 56.348 56.348 55.648 0.700 19108 22678 1 26 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.410 0.043 19108 22679 1 26 . 1 1 3 3 ALA N N 3 125.932 125.932 123.004 2.928 19108 22680 1 26 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.216 0.134 19108 22681 1 26 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.170 0.237 19108 22682 1 26 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.030 0.550 19108 22683 1 26 . 1 1 3 3 ALA H H 3 8.526 8.526 8.245 0.281 19108 22684 1 26 . 1 1 4 4 SER N N 4 116.729 116.729 118.614 -1.885 19108 22685 1 26 . 1 1 4 4 SER HA H 4 4.766 4.766 4.554 0.212 19108 22686 1 26 . 1 1 4 4 SER CA C 4 56.283 56.283 58.289 -2.006 19108 22687 1 26 . 1 1 4 4 SER CB C 4 63.278 63.278 63.211 0.067 19108 22688 1 26 . 1 1 4 4 SER H H 4 8.397 8.397 8.385 0.012 19108 22689 1 26 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.436 0.010 19108 22690 1 26 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.386 -0.080 19108 22691 1 26 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.013 0.084 19108 22692 1 26 . 1 1 6 6 ALA N N 6 124.236 124.236 124.278 -0.042 19108 22693 1 26 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.327 0.006 19108 22694 1 26 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.191 0.372 19108 22695 1 26 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.954 0.380 19108 22696 1 26 . 1 1 6 6 ALA H H 6 8.411 8.411 8.519 -0.108 19108 22697 1 26 . 1 1 7 7 SER N N 7 114.497 114.497 115.316 -0.819 19108 22698 1 26 . 1 1 7 7 SER HA H 7 4.475 4.475 4.127 0.348 19108 22699 1 26 . 1 1 7 7 SER CA C 7 58.258 58.258 58.716 -0.458 19108 22700 1 26 . 1 1 7 7 SER CB C 7 64.174 64.174 62.621 1.553 19108 22701 1 26 . 1 1 7 7 SER H H 7 8.195 8.195 8.285 -0.090 19108 22702 1 26 . 1 1 8 8 GLY N N 8 110.497 110.497 108.742 1.755 19108 22703 1 26 . 1 1 8 8 GLY CA C 8 44.846 44.846 43.886 0.960 19108 22704 1 26 . 1 1 8 8 GLY H H 8 8.226 8.226 8.332 -0.106 19108 22705 1 26 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.503 -0.054 19108 22706 1 26 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.271 0.163 19108 22707 1 26 . 1 1 9 9 PRO CB C 9 32.193 32.193 32.005 0.188 19108 22708 1 26 . 1 1 10 10 ARG N N 10 120.534 120.534 122.970 -2.436 19108 22709 1 26 . 1 1 10 10 ARG HA H 10 4.341 4.341 3.874 0.467 19108 22710 1 26 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.349 0.667 19108 22711 1 26 . 1 1 10 10 ARG CB C 10 30.809 30.809 30.831 -0.022 19108 22712 1 26 . 1 1 10 10 ARG H H 10 8.469 8.469 9.435 -0.966 19108 22713 1 26 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.807 0.018 19108 22714 1 26 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.512 -0.051 19108 22715 1 26 . 1 1 11 11 HIS CB C 11 30.191 30.191 30.287 -0.096 19108 22716 1 26 . 1 1 12 12 LEU N N 12 122.284 122.284 121.535 0.749 19108 22717 1 26 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.749 -0.140 19108 22718 1 26 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.057 1.973 19108 22719 1 26 . 1 1 12 12 LEU H H 12 8.250 8.250 7.628 0.622 19108 22720 1 26 . 1 1 13 13 MET N N 13 121.493 121.493 121.389 0.104 19108 22721 1 26 . 1 1 13 13 MET HA H 13 4.038 4.038 4.401 -0.363 19108 22722 1 26 . 1 1 13 13 MET CA C 13 54.449 54.449 56.126 -1.677 19108 22723 1 26 . 1 1 13 13 MET CB C 13 35.015 35.015 33.222 1.793 19108 22724 1 26 . 1 1 13 13 MET H H 13 8.955 8.955 8.163 0.792 19108 22725 1 26 . 1 1 14 14 ASP N N 14 127.113 127.113 125.000 2.113 19108 22726 1 26 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.622 -0.522 19108 22727 1 26 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.336 -1.880 19108 22728 1 26 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.845 1.665 19108 22729 1 26 . 1 1 14 14 ASP H H 14 8.514 8.514 8.566 -0.052 19108 22730 1 26 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.209 -0.356 19108 22731 1 26 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.938 -0.284 19108 22732 1 26 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.073 -0.422 19108 22733 1 26 . 1 1 16 16 HIS N N 16 115.776 115.776 116.952 -1.176 19108 22734 1 26 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.356 -0.078 19108 22735 1 26 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.270 -1.352 19108 22736 1 26 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.641 -0.433 19108 22737 1 26 . 1 1 16 16 HIS H H 16 8.591 8.591 8.581 0.010 19108 22738 1 26 . 1 1 17 17 ILE N N 17 122.675 122.675 119.091 3.584 19108 22739 1 26 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.646 -0.162 19108 22740 1 26 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.890 -1.664 19108 22741 1 26 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.132 -1.035 19108 22742 1 26 . 1 1 17 17 ILE H H 17 7.558 7.558 8.155 -0.597 19108 22743 1 26 . 1 1 18 18 PHE N N 18 120.513 120.513 119.399 1.114 19108 22744 1 26 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.036 -0.033 19108 22745 1 26 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.800 1.004 19108 22746 1 26 . 1 1 18 18 PHE CB C 18 39.640 39.640 38.897 0.743 19108 22747 1 26 . 1 1 18 18 PHE H H 18 7.831 7.831 8.460 -0.629 19108 22748 1 26 . 1 1 19 19 THR N N 19 114.555 114.555 115.282 -0.727 19108 22749 1 26 . 1 1 19 19 THR HA H 19 3.657 3.657 3.845 -0.188 19108 22750 1 26 . 1 1 19 19 THR CA C 19 66.485 66.485 66.493 -0.008 19108 22751 1 26 . 1 1 19 19 THR CB C 19 68.345 68.345 68.665 -0.319 19108 22752 1 26 . 1 1 19 19 THR H H 19 9.036 9.036 8.309 0.727 19108 22753 1 26 . 1 1 20 20 SER N N 20 113.030 113.030 116.504 -3.474 19108 22754 1 26 . 1 1 20 20 SER HA H 20 4.062 4.062 3.917 0.145 19108 22755 1 26 . 1 1 20 20 SER CA C 20 60.610 60.610 61.310 -0.700 19108 22756 1 26 . 1 1 20 20 SER CB C 20 63.843 63.843 62.875 0.968 19108 22757 1 26 . 1 1 20 20 SER H H 20 7.809 7.809 8.407 -0.598 19108 22758 1 26 . 1 1 21 21 ASN N N 21 115.629 115.629 118.801 -3.172 19108 22759 1 26 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.389 0.022 19108 22760 1 26 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.971 2.018 19108 22761 1 26 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.678 2.902 19108 22762 1 26 . 1 1 21 21 ASN H H 21 7.362 7.362 7.721 -0.359 19108 22763 1 26 . 1 1 22 22 PHE N N 22 117.773 117.773 117.402 0.371 19108 22764 1 26 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.435 -0.162 19108 22765 1 26 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.332 -0.872 19108 22766 1 26 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.827 -0.997 19108 22767 1 26 . 1 1 22 22 PHE H H 22 8.296 8.296 7.798 0.498 19108 22768 1 26 . 1 1 23 23 ASN N N 23 115.026 115.026 118.787 -3.761 19108 22769 1 26 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.244 0.285 19108 22770 1 26 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.558 1.084 19108 22771 1 26 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.005 -1.382 19108 22772 1 26 . 1 1 23 23 ASN H H 23 6.097 6.097 7.705 -1.608 19108 22773 1 26 . 1 1 24 24 ASN N N 24 122.900 122.900 123.574 -0.674 19108 22774 1 26 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.312 0.121 19108 22775 1 26 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.810 -0.537 19108 22776 1 26 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.157 -0.265 19108 22777 1 26 . 1 1 24 24 ASN H H 24 7.083 7.083 7.912 -0.829 19108 22778 1 26 . 1 1 25 25 GLY N N 25 105.587 105.587 109.693 -4.106 19108 22779 1 26 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.717 0.149 19108 22780 1 26 . 1 1 25 25 GLY H H 25 8.520 8.520 8.365 0.155 19108 22781 1 26 . 1 1 26 26 ILE N N 26 120.182 120.182 117.158 3.024 19108 22782 1 26 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.114 0.060 19108 22783 1 26 . 1 1 26 26 ILE CA C 26 60.443 60.443 60.985 -0.542 19108 22784 1 26 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.373 2.142 19108 22785 1 26 . 1 1 26 26 ILE H H 26 6.944 6.944 7.366 -0.422 19108 22786 1 26 . 1 1 27 27 GLY N N 27 111.665 111.665 108.032 3.633 19108 22787 1 26 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.765 0.554 19108 22788 1 26 . 1 1 27 27 GLY H H 27 8.457 8.457 8.661 -0.204 19108 22789 1 26 . 1 1 28 28 ARG N N 28 117.565 117.565 118.943 -1.378 19108 22790 1 26 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.188 -0.623 19108 22791 1 26 . 1 1 28 28 ARG H H 28 6.741 6.741 8.469 -1.728 19108 22792 1 26 . 1 1 29 29 HIS CA C 29 58.003 58.003 57.500 0.503 19108 22793 1 26 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.865 1.179 19108 22794 1 26 . 1 1 29 29 HIS H H 29 8.636 8.636 8.984 -0.348 19108 22795 1 26 . 1 1 30 30 LYS N N 30 119.344 119.344 122.068 -2.724 19108 22796 1 26 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.234 0.187 19108 22797 1 26 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.517 1.347 19108 22798 1 26 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.483 1.708 19108 22799 1 26 . 1 1 30 30 LYS H H 30 7.870 7.870 7.616 0.254 19108 22800 1 26 . 1 1 31 31 THR N N 31 118.233 118.233 112.152 6.081 19108 22801 1 26 . 1 1 31 31 THR HA H 31 4.125 4.125 3.486 0.639 19108 22802 1 26 . 1 1 31 31 THR CA C 31 63.175 63.175 62.761 0.414 19108 22803 1 26 . 1 1 31 31 THR H H 31 8.436 8.436 6.881 1.555 19108 22804 1 26 . 1 1 32 32 TYR N N 32 124.026 124.026 125.133 -1.107 19108 22805 1 26 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.922 0.014 19108 22806 1 26 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.667 -0.166 19108 22807 1 26 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.143 2.261 19108 22808 1 26 . 1 1 32 32 TYR H H 32 8.244 8.244 8.678 -0.434 19108 22809 1 26 . 1 1 33 33 LEU N N 33 125.428 125.428 124.607 0.821 19108 22810 1 26 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.352 -0.273 19108 22811 1 26 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.427 1.411 19108 22812 1 26 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.434 1.550 19108 22813 1 26 . 1 1 33 33 LEU H H 33 9.232 9.232 9.001 0.231 19108 22814 1 26 . 1 1 34 34 CYS N N 34 125.975 125.975 126.638 -0.663 19108 22815 1 26 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.947 0.059 19108 22816 1 26 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.199 1.946 19108 22817 1 26 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.188 1.114 19108 22818 1 26 . 1 1 34 34 CYS H H 34 9.640 9.640 9.104 0.536 19108 22819 1 26 . 1 1 35 35 TYR N N 35 121.183 121.183 122.234 -1.051 19108 22820 1 26 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.729 0.759 19108 22821 1 26 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.914 -0.132 19108 22822 1 26 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.564 2.526 19108 22823 1 26 . 1 1 35 35 TYR H H 35 9.094 9.094 8.791 0.303 19108 22824 1 26 . 1 1 36 36 GLU N N 36 115.538 115.538 122.437 -6.899 19108 22825 1 26 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.956 0.479 19108 22826 1 26 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.186 0.205 19108 22827 1 26 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.151 0.393 19108 22828 1 26 . 1 1 36 36 GLU H H 36 8.977 8.977 8.724 0.253 19108 22829 1 26 . 1 1 37 37 VAL N N 37 121.600 121.600 122.327 -0.727 19108 22830 1 26 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.841 0.318 19108 22831 1 26 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.692 0.356 19108 22832 1 26 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.005 1.065 19108 22833 1 26 . 1 1 37 37 VAL H H 37 9.271 9.271 8.762 0.509 19108 22834 1 26 . 1 1 38 38 GLU N N 38 125.227 125.227 128.099 -2.872 19108 22835 1 26 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.076 0.142 19108 22836 1 26 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.320 -0.068 19108 22837 1 26 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.966 0.961 19108 22838 1 26 . 1 1 38 38 GLU H H 38 9.114 9.114 8.466 0.648 19108 22839 1 26 . 1 1 39 39 ARG N N 39 124.872 124.872 126.627 -1.755 19108 22840 1 26 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.193 1.172 19108 22841 1 26 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.490 -0.243 19108 22842 1 26 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.421 1.144 19108 22843 1 26 . 1 1 39 39 ARG H H 39 9.215 9.215 8.185 1.030 19108 22844 1 26 . 1 1 40 40 LEU N N 40 126.510 126.510 127.522 -1.012 19108 22845 1 26 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.598 0.154 19108 22846 1 26 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.935 -0.612 19108 22847 1 26 . 1 1 40 40 LEU CB C 40 40.843 40.843 42.931 -2.088 19108 22848 1 26 . 1 1 40 40 LEU H H 40 8.659 8.659 7.718 0.941 19108 22849 1 26 . 1 1 41 41 ASP N N 41 124.410 124.410 125.984 -1.574 19108 22850 1 26 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.805 -0.012 19108 22851 1 26 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.480 -0.262 19108 22852 1 26 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.816 -1.083 19108 22853 1 26 . 1 1 41 41 ASP H H 41 8.575 8.575 8.634 -0.059 19108 22854 1 26 . 1 1 42 42 ASN N N 42 123.319 123.319 122.677 0.642 19108 22855 1 26 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.377 0.043 19108 22856 1 26 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.682 0.491 19108 22857 1 26 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.558 0.289 19108 22858 1 26 . 1 1 42 42 ASN H H 42 9.048 9.048 8.890 0.158 19108 22859 1 26 . 1 1 43 43 GLY N N 43 106.044 106.044 103.430 2.614 19108 22860 1 26 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.577 -0.183 19108 22861 1 26 . 1 1 43 43 GLY H H 43 8.548 8.548 8.337 0.211 19108 22862 1 26 . 1 1 44 44 THR N N 44 115.893 115.893 121.218 -5.325 19108 22863 1 26 . 1 1 44 44 THR HA H 44 4.524 4.524 4.180 0.344 19108 22864 1 26 . 1 1 44 44 THR CA C 44 61.285 61.285 62.870 -1.585 19108 22865 1 26 . 1 1 44 44 THR CB C 44 70.572 70.572 68.898 1.674 19108 22866 1 26 . 1 1 44 44 THR H H 44 7.833 7.833 7.820 0.013 19108 22867 1 26 . 1 1 45 45 SER N N 45 119.589 119.589 122.604 -3.015 19108 22868 1 26 . 1 1 45 45 SER HA H 45 4.804 4.804 5.126 -0.322 19108 22869 1 26 . 1 1 45 45 SER CA C 45 58.080 58.080 57.401 0.679 19108 22870 1 26 . 1 1 45 45 SER CB C 45 64.265 64.265 63.472 0.793 19108 22871 1 26 . 1 1 45 45 SER H H 45 8.590 8.590 8.716 -0.126 19108 22872 1 26 . 1 1 46 46 VAL N N 46 125.827 125.827 120.749 5.078 19108 22873 1 26 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.458 -0.165 19108 22874 1 26 . 1 1 46 46 VAL CA C 46 61.843 61.843 60.795 1.048 19108 22875 1 26 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.264 1.253 19108 22876 1 26 . 1 1 46 46 VAL H H 46 9.034 9.034 8.256 0.778 19108 22877 1 26 . 1 1 47 47 LYS N N 47 126.528 126.528 128.122 -1.594 19108 22878 1 26 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.306 -0.021 19108 22879 1 26 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.420 1.245 19108 22880 1 26 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.140 -0.348 19108 22881 1 26 . 1 1 47 47 LYS H H 47 8.738 8.738 8.381 0.357 19108 22882 1 26 . 1 1 48 48 MET N N 48 122.645 122.645 122.987 -0.342 19108 22883 1 26 . 1 1 48 48 MET HA H 48 5.195 5.195 4.607 0.588 19108 22884 1 26 . 1 1 48 48 MET CA C 48 54.747 54.747 55.548 -0.801 19108 22885 1 26 . 1 1 48 48 MET CB C 48 32.379 32.379 33.639 -1.260 19108 22886 1 26 . 1 1 48 48 MET H H 48 8.334 8.334 8.179 0.155 19108 22887 1 26 . 1 1 49 49 ASP N N 49 123.713 123.713 122.172 1.541 19108 22888 1 26 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.503 -0.079 19108 22889 1 26 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.778 0.833 19108 22890 1 26 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.520 -0.486 19108 22891 1 26 . 1 1 49 49 ASP H H 49 8.575 8.575 8.738 -0.163 19108 22892 1 26 . 1 1 50 50 GLN N N 50 117.540 117.540 119.026 -1.486 19108 22893 1 26 . 1 1 50 50 GLN H H 50 9.110 9.110 8.453 0.657 19108 22894 1 26 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.698 0.453 19108 22895 1 26 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.362 -1.528 19108 22896 1 26 . 1 1 51 51 HIS H H 51 8.031 8.031 8.337 -0.306 19108 22897 1 26 . 1 1 52 52 ARG N N 52 117.888 117.888 120.278 -2.390 19108 22898 1 26 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.445 0.792 19108 22899 1 26 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.014 0.041 19108 22900 1 26 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.553 0.500 19108 22901 1 26 . 1 1 52 52 ARG H H 52 7.685 7.685 7.557 0.128 19108 22902 1 26 . 1 1 53 53 GLY N N 53 108.573 108.573 105.437 3.136 19108 22903 1 26 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.334 0.374 19108 22904 1 26 . 1 1 53 53 GLY H H 53 7.529 7.529 7.246 0.283 19108 22905 1 26 . 1 1 54 54 PHE N N 54 113.146 113.146 115.438 -2.292 19108 22906 1 26 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.629 0.366 19108 22907 1 26 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.696 0.160 19108 22908 1 26 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.664 2.699 19108 22909 1 26 . 1 1 54 54 PHE H H 54 8.287 8.287 7.964 0.323 19108 22910 1 26 . 1 1 55 55 LEU N N 55 119.389 119.389 119.959 -0.570 19108 22911 1 26 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.477 0.218 19108 22912 1 26 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.309 0.403 19108 22913 1 26 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.859 0.769 19108 22914 1 26 . 1 1 55 55 LEU H H 55 9.452 9.452 8.996 0.456 19108 22915 1 26 . 1 1 56 56 HIS N N 56 114.176 114.176 114.269 -0.093 19108 22916 1 26 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.910 0.529 19108 22917 1 26 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.925 0.540 19108 22918 1 26 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.441 0.026 19108 22919 1 26 . 1 1 56 56 HIS H H 56 7.709 7.709 7.672 0.037 19108 22920 1 26 . 1 1 57 57 ASN N N 57 116.522 116.522 119.699 -3.177 19108 22921 1 26 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.394 0.021 19108 22922 1 26 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.769 -0.585 19108 22923 1 26 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.025 -0.363 19108 22924 1 26 . 1 1 57 57 ASN H H 57 8.684 8.684 8.129 0.555 19108 22925 1 26 . 1 1 58 58 GLN N N 58 122.850 122.850 122.942 -0.092 19108 22926 1 26 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.485 -0.096 19108 22927 1 26 . 1 1 58 58 GLN CA C 58 54.853 54.853 54.723 0.130 19108 22928 1 26 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.717 0.665 19108 22929 1 26 . 1 1 58 58 GLN H H 58 9.099 9.099 8.366 0.733 19108 22930 1 26 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.197 0.103 19108 22931 1 26 . 1 1 59 59 ALA CA C 59 52.504 52.504 50.750 1.754 19108 22932 1 26 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.899 -0.478 19108 22933 1 26 . 1 1 60 60 LYS N N 60 119.998 119.998 123.680 -3.682 19108 22934 1 26 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.306 -0.530 19108 22935 1 26 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.796 0.505 19108 22936 1 26 . 1 1 60 60 LYS CB C 60 32.816 32.816 33.661 -0.845 19108 22937 1 26 . 1 1 60 60 LYS H H 60 8.344 8.344 8.150 0.194 19108 22938 1 26 . 1 1 61 61 ASN N N 61 119.688 119.688 115.364 4.324 19108 22939 1 26 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.459 -0.004 19108 22940 1 26 . 1 1 61 61 ASN CA C 61 52.904 52.904 54.410 -1.506 19108 22941 1 26 . 1 1 61 61 ASN CB C 61 38.537 38.537 36.530 2.007 19108 22942 1 26 . 1 1 61 61 ASN H H 61 8.643 8.643 8.023 0.620 19108 22943 1 26 . 1 1 62 62 LEU N N 62 124.761 124.761 118.851 5.910 19108 22944 1 26 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.233 -0.299 19108 22945 1 26 . 1 1 62 62 LEU CA C 62 57.245 57.245 57.277 -0.032 19108 22946 1 26 . 1 1 62 62 LEU CB C 62 40.943 40.943 42.078 -1.135 19108 22947 1 26 . 1 1 62 62 LEU H H 62 8.873 8.873 8.274 0.599 19108 22948 1 26 . 1 1 63 63 LEU N N 63 120.312 120.312 116.507 3.805 19108 22949 1 26 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.427 -0.228 19108 22950 1 26 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.787 0.290 19108 22951 1 26 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.576 -0.319 19108 22952 1 26 . 1 1 63 63 LEU H H 63 8.145 8.145 7.787 0.358 19108 22953 1 26 . 1 1 64 64 CYS N N 64 113.898 113.898 119.083 -5.185 19108 22954 1 26 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.554 -0.383 19108 22955 1 26 . 1 1 64 64 CYS CA C 64 57.784 57.784 60.988 -3.204 19108 22956 1 26 . 1 1 64 64 CYS CB C 64 28.718 28.718 27.621 1.097 19108 22957 1 26 . 1 1 64 64 CYS H H 64 7.376 7.376 8.606 -1.230 19108 22958 1 26 . 1 1 65 65 GLY N N 65 108.894 108.894 108.093 0.801 19108 22959 1 26 . 1 1 65 65 GLY CA C 65 45.983 45.983 46.268 -0.285 19108 22960 1 26 . 1 1 65 65 GLY H H 65 7.789 7.789 8.328 -0.539 19108 22961 1 26 . 1 1 66 66 PHE N N 66 118.711 118.711 117.289 1.422 19108 22962 1 26 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.728 -0.811 19108 22963 1 26 . 1 1 66 66 PHE CA C 66 55.940 55.940 56.737 -0.797 19108 22964 1 26 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.979 0.289 19108 22965 1 26 . 1 1 66 66 PHE H H 66 7.699 7.699 7.608 0.091 19108 22966 1 26 . 1 1 67 67 TYR N N 67 124.623 124.623 122.793 1.830 19108 22967 1 26 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.739 -0.439 19108 22968 1 26 . 1 1 67 67 TYR CA C 67 58.764 58.764 56.391 2.373 19108 22969 1 26 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.339 -0.186 19108 22970 1 26 . 1 1 67 67 TYR H H 67 8.568 8.568 7.978 0.590 19108 22971 1 26 . 1 1 69 69 ARG N N 69 121.427 121.427 120.686 0.741 19108 22972 1 26 . 1 1 69 69 ARG CA C 69 57.057 57.057 53.232 3.825 19108 22973 1 26 . 1 1 69 69 ARG CB C 69 32.296 32.296 34.739 -2.443 19108 22974 1 26 . 1 1 69 69 ARG H H 69 8.313 8.313 8.264 0.049 19108 22975 1 26 . 1 1 70 70 HIS N N 70 128.351 128.351 121.142 7.209 19108 22976 1 26 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.708 0.074 19108 22977 1 26 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.106 1.610 19108 22978 1 26 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.754 1.022 19108 22979 1 26 . 1 1 70 70 HIS H H 70 9.182 9.182 9.040 0.142 19108 22980 1 26 . 1 1 71 71 ALA N N 71 125.649 125.649 127.733 -2.084 19108 22981 1 26 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.856 -0.499 19108 22982 1 26 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.629 1.153 19108 22983 1 26 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.639 -0.629 19108 22984 1 26 . 1 1 71 71 ALA H H 71 8.968 8.968 8.642 0.326 19108 22985 1 26 . 1 1 72 72 GLU N N 72 119.941 119.941 118.893 1.048 19108 22986 1 26 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.615 -0.638 19108 22987 1 26 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.081 1.875 19108 22988 1 26 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.017 -1.011 19108 22989 1 26 . 1 1 72 72 GLU H H 72 12.692 12.692 8.417 4.275 19108 22990 1 26 . 1 1 73 73 LEU N N 73 114.882 114.882 119.018 -4.136 19108 22991 1 26 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.894 -0.309 19108 22992 1 26 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.509 -0.848 19108 22993 1 26 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.747 -2.502 19108 22994 1 26 . 1 1 73 73 LEU H H 73 6.637 6.637 6.763 -0.126 19108 22995 1 26 . 1 1 74 74 ARG N N 74 117.799 117.799 118.864 -1.065 19108 22996 1 26 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.925 0.117 19108 22997 1 26 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.527 -0.352 19108 22998 1 26 . 1 1 74 74 ARG H H 74 7.556 7.556 7.629 -0.073 19108 22999 1 26 . 1 1 75 75 PHE N N 75 119.783 119.783 120.135 -0.352 19108 23000 1 26 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.004 -0.443 19108 23001 1 26 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.864 0.810 19108 23002 1 26 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.721 -0.683 19108 23003 1 26 . 1 1 75 75 PHE H H 75 8.233 8.233 7.730 0.503 19108 23004 1 26 . 1 1 76 76 LEU N N 76 119.526 119.526 118.089 1.437 19108 23005 1 26 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.527 0.031 19108 23006 1 26 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.445 0.594 19108 23007 1 26 . 1 1 76 76 LEU CB C 76 39.016 39.016 40.508 -1.492 19108 23008 1 26 . 1 1 76 76 LEU H H 76 7.629 7.629 7.684 -0.055 19108 23009 1 26 . 1 1 77 77 ASP N N 77 118.215 118.215 118.844 -0.629 19108 23010 1 26 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.417 -0.259 19108 23011 1 26 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.853 -0.453 19108 23012 1 26 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.239 -0.871 19108 23013 1 26 . 1 1 77 77 ASP H H 77 8.190 8.190 7.295 0.895 19108 23014 1 26 . 1 1 78 78 LEU N N 78 117.496 117.496 116.357 1.139 19108 23015 1 26 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.388 -0.098 19108 23016 1 26 . 1 1 78 78 LEU CA C 78 54.985 54.985 56.645 -1.659 19108 23017 1 26 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.766 0.635 19108 23018 1 26 . 1 1 78 78 LEU H H 78 7.252 7.252 7.407 -0.155 19108 23019 1 26 . 1 1 79 79 VAL N N 79 120.915 120.915 121.924 -1.009 19108 23020 1 26 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.410 -0.187 19108 23021 1 26 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.450 1.078 19108 23022 1 26 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.800 0.320 19108 23023 1 26 . 1 1 79 79 VAL H H 79 7.179 7.179 7.672 -0.493 19108 23024 1 26 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.396 -0.421 19108 23025 1 26 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.753 1.034 19108 23026 1 26 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.696 -0.888 19108 23027 1 26 . 1 1 81 81 SER N N 81 112.727 112.727 114.662 -1.935 19108 23028 1 26 . 1 1 81 81 SER HA H 81 4.314 4.314 4.272 0.042 19108 23029 1 26 . 1 1 81 81 SER CA C 81 60.618 60.618 60.783 -0.166 19108 23030 1 26 . 1 1 81 81 SER CB C 81 63.450 63.450 62.665 0.785 19108 23031 1 26 . 1 1 81 81 SER H H 81 7.828 7.828 7.555 0.273 19108 23032 1 26 . 1 1 82 82 LEU N N 82 120.918 120.918 120.413 0.505 19108 23033 1 26 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.359 -0.485 19108 23034 1 26 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.433 0.059 19108 23035 1 26 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.609 -2.398 19108 23036 1 26 . 1 1 82 82 LEU H H 82 7.912 7.912 7.447 0.465 19108 23037 1 26 . 1 1 83 83 GLN N N 83 111.397 111.397 116.227 -4.830 19108 23038 1 26 . 1 1 83 83 GLN HA H 83 3.808 3.808 4.001 -0.193 19108 23039 1 26 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.237 -0.071 19108 23040 1 26 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.335 0.333 19108 23041 1 26 . 1 1 83 83 GLN H H 83 7.458 7.458 7.666 -0.208 19108 23042 1 26 . 1 1 84 84 LEU N N 84 118.520 118.520 119.908 -1.388 19108 23043 1 26 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.120 -0.401 19108 23044 1 26 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.167 -1.425 19108 23045 1 26 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.770 -3.525 19108 23046 1 26 . 1 1 84 84 LEU H H 84 8.736 8.736 8.166 0.570 19108 23047 1 26 . 1 1 85 85 ASP N N 85 126.187 126.187 121.494 4.693 19108 23048 1 26 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.790 0.093 19108 23049 1 26 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.453 -0.107 19108 23050 1 26 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.665 1.283 19108 23051 1 26 . 1 1 85 85 ASP H H 85 8.415 8.415 7.966 0.449 19108 23052 1 26 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.384 0.544 19108 23053 1 26 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.148 0.490 19108 23054 1 26 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.947 -0.661 19108 23055 1 26 . 1 1 87 87 ALA N N 87 121.030 121.030 122.063 -1.033 19108 23056 1 26 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.068 0.350 19108 23057 1 26 . 1 1 87 87 ALA CA C 87 52.172 52.172 54.027 -1.855 19108 23058 1 26 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.665 0.683 19108 23059 1 26 . 1 1 87 87 ALA H H 87 8.504 8.504 7.781 0.723 19108 23060 1 26 . 1 1 88 88 GLN N N 88 119.601 119.601 115.890 3.711 19108 23061 1 26 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.492 0.030 19108 23062 1 26 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.590 -1.156 19108 23063 1 26 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.280 -1.231 19108 23064 1 26 . 1 1 88 88 GLN H H 88 8.125 8.125 8.157 -0.032 19108 23065 1 26 . 1 1 89 89 ILE N N 89 118.195 118.195 118.727 -0.532 19108 23066 1 26 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.944 0.025 19108 23067 1 26 . 1 1 89 89 ILE CA C 89 59.541 59.541 58.859 0.682 19108 23068 1 26 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.306 0.946 19108 23069 1 26 . 1 1 89 89 ILE H H 89 8.099 8.099 8.510 -0.411 19108 23070 1 26 . 1 1 90 90 TYR N N 90 122.421 122.421 122.378 0.043 19108 23071 1 26 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.177 0.184 19108 23072 1 26 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.105 -1.065 19108 23073 1 26 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.641 -0.814 19108 23074 1 26 . 1 1 90 90 TYR H H 90 8.892 8.892 8.448 0.444 19108 23075 1 26 . 1 1 91 91 ARG N N 91 121.043 121.043 121.055 -0.012 19108 23076 1 26 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.726 0.517 19108 23077 1 26 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.508 -0.973 19108 23078 1 26 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.207 -0.075 19108 23079 1 26 . 1 1 91 91 ARG H H 91 9.327 9.327 8.946 0.381 19108 23080 1 26 . 1 1 92 92 VAL N N 92 132.287 132.287 129.178 3.109 19108 23081 1 26 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.082 -0.158 19108 23082 1 26 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.189 -0.284 19108 23083 1 26 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.397 0.456 19108 23084 1 26 . 1 1 92 92 VAL H H 92 9.668 9.668 8.989 0.679 19108 23085 1 26 . 1 1 93 93 THR N N 93 124.468 124.468 125.426 -0.958 19108 23086 1 26 . 1 1 93 93 THR HA H 93 5.264 5.264 4.742 0.522 19108 23087 1 26 . 1 1 93 93 THR CA C 93 61.616 61.616 62.745 -1.129 19108 23088 1 26 . 1 1 93 93 THR CB C 93 70.082 70.082 69.988 0.094 19108 23089 1 26 . 1 1 93 93 THR H H 93 9.381 9.381 8.550 0.831 19108 23090 1 26 . 1 1 94 94 TRP N N 94 124.491 124.491 127.857 -3.366 19108 23091 1 26 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.140 0.526 19108 23092 1 26 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.047 -2.842 19108 23093 1 26 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.929 2.739 19108 23094 1 26 . 1 1 94 94 TRP H H 94 9.071 9.071 9.093 -0.022 19108 23095 1 26 . 1 1 95 95 PHE N N 95 122.179 122.179 123.155 -0.976 19108 23096 1 26 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.979 0.691 19108 23097 1 26 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.410 -0.636 19108 23098 1 26 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.390 -0.941 19108 23099 1 26 . 1 1 95 95 PHE H H 95 9.578 9.578 9.210 0.368 19108 23100 1 26 . 1 1 96 96 ILE N N 96 125.072 125.072 122.317 2.755 19108 23101 1 26 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.250 0.723 19108 23102 1 26 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.788 -1.361 19108 23103 1 26 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.495 4.578 19108 23104 1 26 . 1 1 96 96 ILE H H 96 9.816 9.816 9.167 0.649 19108 23105 1 26 . 1 1 97 97 SER N N 97 124.020 124.020 118.293 5.727 19108 23106 1 26 . 1 1 97 97 SER HA H 97 3.623 3.623 4.903 -1.280 19108 23107 1 26 . 1 1 97 97 SER CA C 97 61.750 61.750 59.840 1.910 19108 23108 1 26 . 1 1 97 97 SER CB C 97 63.711 63.711 64.092 -0.381 19108 23109 1 26 . 1 1 97 97 SER H H 97 9.156 9.156 8.491 0.665 19108 23110 1 26 . 1 1 98 98 TRP N N 98 114.829 114.829 121.050 -6.221 19108 23111 1 26 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.150 0.189 19108 23112 1 26 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.389 -2.718 19108 23113 1 26 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.588 3.163 19108 23114 1 26 . 1 1 98 98 TRP H H 98 6.619 6.619 7.961 -1.342 19108 23115 1 26 . 1 1 99 99 SER N N 99 115.444 115.444 117.490 -2.046 19108 23116 1 26 . 1 1 99 99 SER CA C 99 58.045 58.045 57.168 0.877 19108 23117 1 26 . 1 1 99 99 SER CB C 99 61.927 61.927 63.268 -1.341 19108 23118 1 26 . 1 1 99 99 SER H H 99 8.590 8.590 8.353 0.237 19108 23119 1 26 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.963 -1.038 19108 23120 1 26 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.286 2.510 19108 23121 1 26 . 1 1 101 101 CYS N N 101 121.768 121.768 121.325 0.443 19108 23122 1 26 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.119 1.540 19108 23123 1 26 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.420 1.769 19108 23124 1 26 . 1 1 101 101 CYS H H 101 8.686 8.686 8.347 0.339 19108 23125 1 26 . 1 1 102 102 PHE N N 102 115.031 115.031 122.823 -7.792 19108 23126 1 26 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.275 1.685 19108 23127 1 26 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.160 1.997 19108 23128 1 26 . 1 1 102 102 PHE H H 102 9.318 9.318 8.602 0.716 19108 23129 1 26 . 1 1 103 103 SER N N 103 119.552 119.552 123.040 -3.488 19108 23130 1 26 . 1 1 103 103 SER HA H 103 3.713 3.713 4.203 -0.490 19108 23131 1 26 . 1 1 103 103 SER CA C 103 63.368 63.368 61.910 1.458 19108 23132 1 26 . 1 1 103 103 SER CB C 103 60.539 60.539 63.034 -2.495 19108 23133 1 26 . 1 1 103 103 SER H H 103 10.858 10.858 8.275 2.583 19108 23134 1 26 . 1 1 104 104 TRP N N 104 117.909 117.909 123.514 -5.605 19108 23135 1 26 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.624 -0.848 19108 23136 1 26 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.810 -0.596 19108 23137 1 26 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.697 -0.811 19108 23138 1 26 . 1 1 104 104 TRP H H 104 7.880 7.880 8.559 -0.679 19108 23139 1 26 . 1 1 105 105 GLY N N 105 106.359 106.359 106.656 -0.297 19108 23140 1 26 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.387 -1.306 19108 23141 1 26 . 1 1 105 105 GLY H H 105 7.468 7.468 8.992 -1.524 19108 23142 1 26 . 1 1 106 106 CYS N N 106 120.359 120.359 119.521 0.838 19108 23143 1 26 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.760 -0.901 19108 23144 1 26 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.129 5.973 19108 23145 1 26 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.326 2.392 19108 23146 1 26 . 1 1 106 106 CYS H H 106 7.366 7.366 7.842 -0.476 19108 23147 1 26 . 1 1 107 107 ALA N N 107 119.725 119.725 125.139 -5.414 19108 23148 1 26 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.043 -0.178 19108 23149 1 26 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.292 1.642 19108 23150 1 26 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.298 0.145 19108 23151 1 26 . 1 1 107 107 ALA H H 107 8.719 8.719 8.637 0.082 19108 23152 1 26 . 1 1 108 108 GLY N N 108 103.829 103.829 107.210 -3.381 19108 23153 1 26 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.163 -0.269 19108 23154 1 26 . 1 1 108 108 GLY H H 108 8.555 8.555 8.345 0.210 19108 23155 1 26 . 1 1 109 109 GLU N N 109 123.162 123.162 122.343 0.819 19108 23156 1 26 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.078 0.188 19108 23157 1 26 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.473 -0.181 19108 23158 1 26 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.559 0.823 19108 23159 1 26 . 1 1 109 109 GLU H H 109 8.023 8.023 7.811 0.212 19108 23160 1 26 . 1 1 110 110 VAL N N 110 121.866 121.866 120.104 1.762 19108 23161 1 26 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.738 -0.039 19108 23162 1 26 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.382 0.661 19108 23163 1 26 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.660 -0.654 19108 23164 1 26 . 1 1 110 110 VAL H H 110 8.942 8.942 8.738 0.204 19108 23165 1 26 . 1 1 111 111 ARG N N 111 120.587 120.587 120.885 -0.298 19108 23166 1 26 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.821 -0.035 19108 23167 1 26 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.969 0.112 19108 23168 1 26 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.950 -0.775 19108 23169 1 26 . 1 1 111 111 ARG H H 111 8.653 8.653 8.487 0.166 19108 23170 1 26 . 1 1 112 112 ALA N N 112 120.687 120.687 120.977 -0.290 19108 23171 1 26 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.061 0.073 19108 23172 1 26 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.995 0.423 19108 23173 1 26 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.054 -0.063 19108 23174 1 26 . 1 1 112 112 ALA H H 112 7.875 7.875 7.936 -0.061 19108 23175 1 26 . 1 1 113 113 PHE N N 113 118.950 118.950 119.929 -0.979 19108 23176 1 26 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.228 0.109 19108 23177 1 26 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.535 -0.159 19108 23178 1 26 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.100 0.287 19108 23179 1 26 . 1 1 113 113 PHE H H 113 8.139 8.139 7.674 0.465 19108 23180 1 26 . 1 1 114 114 LEU N N 114 120.595 120.595 119.810 0.785 19108 23181 1 26 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.869 -0.069 19108 23182 1 26 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.190 -1.057 19108 23183 1 26 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.787 -0.878 19108 23184 1 26 . 1 1 114 114 LEU H H 114 8.639 8.639 8.355 0.284 19108 23185 1 26 . 1 1 115 115 GLN N N 115 117.666 117.666 115.651 2.015 19108 23186 1 26 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.965 0.058 19108 23187 1 26 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.631 -0.245 19108 23188 1 26 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.604 -0.066 19108 23189 1 26 . 1 1 115 115 GLN H H 115 8.167 8.167 8.333 -0.166 19108 23190 1 26 . 1 1 116 116 GLU N N 116 115.380 115.380 116.900 -1.520 19108 23191 1 26 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.371 -0.049 19108 23192 1 26 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.389 0.673 19108 23193 1 26 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.727 -0.012 19108 23194 1 26 . 1 1 116 116 GLU H H 116 7.448 7.448 7.586 -0.138 19108 23195 1 26 . 1 1 117 117 ASN N N 117 119.831 119.831 117.553 2.278 19108 23196 1 26 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.949 0.116 19108 23197 1 26 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.431 -0.246 19108 23198 1 26 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.801 -1.555 19108 23199 1 26 . 1 1 117 117 ASN H H 117 7.632 7.632 7.737 -0.105 19108 23200 1 26 . 1 1 118 118 THR N N 118 111.041 111.041 114.048 -3.007 19108 23201 1 26 . 1 1 118 118 THR HA H 118 4.317 4.317 4.092 0.225 19108 23202 1 26 . 1 1 118 118 THR CA C 118 64.081 64.081 64.064 0.017 19108 23203 1 26 . 1 1 118 118 THR CB C 118 68.767 68.767 68.253 0.514 19108 23204 1 26 . 1 1 118 118 THR H H 118 8.054 8.054 7.792 0.262 19108 23205 1 26 . 1 1 119 119 HIS N N 119 120.403 120.403 116.798 3.605 19108 23206 1 26 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.572 -0.283 19108 23207 1 26 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.553 1.048 19108 23208 1 26 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.828 1.492 19108 23209 1 26 . 1 1 119 119 HIS H H 119 9.248 9.248 8.104 1.144 19108 23210 1 26 . 1 1 120 120 VAL N N 120 120.001 120.001 114.272 5.729 19108 23211 1 26 . 1 1 120 120 VAL HA H 120 4.526 4.526 5.001 -0.475 19108 23212 1 26 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.008 2.882 19108 23213 1 26 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.625 -1.630 19108 23214 1 26 . 1 1 120 120 VAL H H 120 7.379 7.379 7.152 0.227 19108 23215 1 26 . 1 1 121 121 ARG N N 121 125.312 125.312 122.260 3.052 19108 23216 1 26 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.550 0.260 19108 23217 1 26 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.646 -1.579 19108 23218 1 26 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.268 -1.688 19108 23219 1 26 . 1 1 121 121 ARG H H 121 8.775 8.775 8.298 0.477 19108 23220 1 26 . 1 1 122 122 LEU N N 122 125.483 125.483 124.604 0.879 19108 23221 1 26 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.876 0.284 19108 23222 1 26 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.928 -0.627 19108 23223 1 26 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.156 2.516 19108 23224 1 26 . 1 1 122 122 LEU H H 122 9.345 9.345 8.597 0.748 19108 23225 1 26 . 1 1 123 123 ARG N N 123 127.748 127.748 125.830 1.918 19108 23226 1 26 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.722 0.014 19108 23227 1 26 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.484 -0.317 19108 23228 1 26 . 1 1 123 123 ARG CB C 123 32.812 32.812 33.130 -0.318 19108 23229 1 26 . 1 1 123 123 ARG H H 123 9.053 9.053 8.367 0.686 19108 23230 1 26 . 1 1 124 124 ILE N N 124 123.665 123.665 124.018 -0.353 19108 23231 1 26 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.290 0.152 19108 23232 1 26 . 1 1 124 124 ILE CA C 124 60.759 60.759 58.656 2.103 19108 23233 1 26 . 1 1 124 124 ILE CB C 124 41.893 41.893 38.543 3.350 19108 23234 1 26 . 1 1 124 124 ILE H H 124 9.019 9.019 8.705 0.314 19108 23235 1 26 . 1 1 125 125 PHE N N 125 126.320 126.320 126.965 -0.645 19108 23236 1 26 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.350 -0.185 19108 23237 1 26 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.691 0.223 19108 23238 1 26 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.564 0.255 19108 23239 1 26 . 1 1 125 125 PHE H H 125 9.359 9.359 8.169 1.190 19108 23240 1 26 . 1 1 126 126 ALA N N 126 124.526 124.526 128.030 -3.504 19108 23241 1 26 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.066 0.750 19108 23242 1 26 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.438 -1.568 19108 23243 1 26 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.515 0.819 19108 23244 1 26 . 1 1 126 126 ALA H H 126 9.091 9.091 8.429 0.662 19108 23245 1 26 . 1 1 127 127 ALA N N 127 126.272 126.272 129.547 -3.275 19108 23246 1 26 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.408 0.343 19108 23247 1 26 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.807 1.661 19108 23248 1 26 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.635 -0.030 19108 23249 1 26 . 1 1 127 127 ALA H H 127 9.049 9.049 8.993 0.056 19108 23250 1 26 . 1 1 128 128 ARG N N 128 108.570 108.570 118.248 -9.678 19108 23251 1 26 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.734 -0.320 19108 23252 1 26 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.061 4.145 19108 23253 1 26 . 1 1 128 128 ARG H H 128 6.741 6.741 8.007 -1.266 19108 23254 1 26 . 1 1 129 129 ILE N N 129 121.285 121.285 123.408 -2.123 19108 23255 1 26 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.278 0.013 19108 23256 1 26 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.743 0.124 19108 23257 1 26 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.580 0.249 19108 23258 1 26 . 1 1 129 129 ILE H H 129 8.340 8.340 8.337 0.003 19108 23259 1 26 . 1 1 130 130 TYR N N 130 130.143 130.143 127.299 2.844 19108 23260 1 26 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.454 0.881 19108 23261 1 26 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.603 -0.677 19108 23262 1 26 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.175 -2.011 19108 23263 1 26 . 1 1 130 130 TYR H H 130 8.870 8.870 8.488 0.382 19108 23264 1 26 . 1 1 131 131 ASP N N 131 123.662 123.662 122.237 1.425 19108 23265 1 26 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.865 -1.198 19108 23266 1 26 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.981 0.732 19108 23267 1 26 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.229 -3.328 19108 23268 1 26 . 1 1 131 131 ASP H H 131 8.123 8.123 7.839 0.284 19108 23269 1 26 . 1 1 132 132 TYR N N 132 116.852 116.852 120.029 -3.177 19108 23270 1 26 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.610 -0.695 19108 23271 1 26 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.376 0.092 19108 23272 1 26 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.319 -0.282 19108 23273 1 26 . 1 1 132 132 TYR H H 132 6.448 6.448 8.790 -2.342 19108 23274 1 26 . 1 1 133 133 ASP N N 133 116.930 116.930 118.866 -1.936 19108 23275 1 26 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.203 -2.038 19108 23276 1 26 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.537 1.245 19108 23277 1 26 . 1 1 133 133 ASP H H 133 7.005 7.005 8.060 -1.055 19108 23278 1 26 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.532 -0.429 19108 23279 1 26 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.577 0.124 19108 23280 1 26 . 1 1 134 134 PRO CB C 134 32.090 32.090 30.893 1.197 19108 23281 1 26 . 1 1 135 135 LEU N N 135 120.252 120.252 119.252 1.000 19108 23282 1 26 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.254 0.444 19108 23283 1 26 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.062 -1.681 19108 23284 1 26 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.250 -1.506 19108 23285 1 26 . 1 1 135 135 LEU H H 135 8.456 8.456 8.263 0.193 19108 23286 1 26 . 1 1 136 136 TYR N N 136 117.432 117.432 118.759 -1.327 19108 23287 1 26 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.074 -0.013 19108 23288 1 26 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.970 1.088 19108 23289 1 26 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.369 1.211 19108 23290 1 26 . 1 1 136 136 TYR H H 136 8.028 8.028 8.331 -0.303 19108 23291 1 26 . 1 1 137 137 LYS N N 137 122.000 122.000 118.032 3.968 19108 23292 1 26 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.961 1.338 19108 23293 1 26 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.034 -0.236 19108 23294 1 26 . 1 1 137 137 LYS H H 137 7.503 7.503 6.752 0.751 19108 23295 1 26 . 1 1 138 138 GLU N N 138 121.833 121.833 119.783 2.050 19108 23296 1 26 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.238 0.603 19108 23297 1 26 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.521 -2.052 19108 23298 1 26 . 1 1 138 138 GLU H H 138 8.752 8.752 8.129 0.623 19108 23299 1 26 . 1 1 139 139 ALA N N 139 119.592 119.592 122.754 -3.162 19108 23300 1 26 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.065 -0.219 19108 23301 1 26 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.998 0.142 19108 23302 1 26 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.241 2.014 19108 23303 1 26 . 1 1 139 139 ALA H H 139 7.682 7.682 7.257 0.425 19108 23304 1 26 . 1 1 140 140 LEU N N 140 116.268 116.268 119.451 -3.183 19108 23305 1 26 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.443 -0.250 19108 23306 1 26 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.516 -0.421 19108 23307 1 26 . 1 1 140 140 LEU H H 140 7.175 7.175 8.637 -1.462 19108 23308 1 26 . 1 1 141 141 GLN N N 141 117.550 117.550 117.352 0.198 19108 23309 1 26 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.863 -0.144 19108 23310 1 26 . 1 1 141 141 GLN CA C 141 59.051 59.051 59.172 -0.121 19108 23311 1 26 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.557 -0.963 19108 23312 1 26 . 1 1 141 141 GLN H H 141 8.322 8.322 7.636 0.686 19108 23313 1 26 . 1 1 142 142 MET N N 142 118.520 118.520 119.892 -1.372 19108 23314 1 26 . 1 1 142 142 MET HA H 142 4.135 4.135 4.092 0.043 19108 23315 1 26 . 1 1 142 142 MET CA C 142 59.051 59.051 58.450 0.601 19108 23316 1 26 . 1 1 142 142 MET CB C 142 33.170 33.170 32.489 0.681 19108 23317 1 26 . 1 1 142 142 MET H H 142 8.241 8.241 8.258 -0.017 19108 23318 1 26 . 1 1 143 143 LEU N N 143 118.659 118.659 119.255 -0.596 19108 23319 1 26 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.162 0.130 19108 23320 1 26 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.013 1.102 19108 23321 1 26 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.979 -0.602 19108 23322 1 26 . 1 1 143 143 LEU H H 143 7.932 7.932 8.120 -0.188 19108 23323 1 26 . 1 1 144 144 ARG N N 144 121.294 121.294 121.378 -0.084 19108 23324 1 26 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.928 0.498 19108 23325 1 26 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.491 -0.502 19108 23326 1 26 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.882 -1.774 19108 23327 1 26 . 1 1 144 144 ARG H H 144 7.968 7.968 8.233 -0.265 19108 23328 1 26 . 1 1 145 145 ASP N N 145 122.553 122.553 118.058 4.495 19108 23329 1 26 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.533 -0.104 19108 23330 1 26 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.153 0.425 19108 23331 1 26 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.079 -0.489 19108 23332 1 26 . 1 1 145 145 ASP H H 145 8.868 8.868 7.891 0.977 19108 23333 1 26 . 1 1 146 146 ALA N N 146 120.102 120.102 120.091 0.011 19108 23334 1 26 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.450 -0.032 19108 23335 1 26 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.564 -0.530 19108 23336 1 26 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.817 -0.522 19108 23337 1 26 . 1 1 146 146 ALA H H 146 7.737 7.737 8.118 -0.381 19108 23338 1 26 . 1 1 147 147 GLY N N 147 105.039 105.039 106.922 -1.883 19108 23339 1 26 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.683 0.181 19108 23340 1 26 . 1 1 147 147 GLY H H 147 7.966 7.966 7.663 0.303 19108 23341 1 26 . 1 1 148 148 ALA N N 148 124.181 124.181 121.533 2.648 19108 23342 1 26 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.641 0.048 19108 23343 1 26 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.028 0.431 19108 23344 1 26 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.089 -2.610 19108 23345 1 26 . 1 1 148 148 ALA H H 148 8.051 8.051 7.255 0.796 19108 23346 1 26 . 1 1 149 149 GLN N N 149 122.185 122.185 117.873 4.312 19108 23347 1 26 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.805 -0.366 19108 23348 1 26 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.760 0.195 19108 23349 1 26 . 1 1 149 149 GLN CB C 149 29.421 29.421 32.328 -2.907 19108 23350 1 26 . 1 1 149 149 GLN H H 149 7.953 7.953 8.052 -0.099 19108 23351 1 26 . 1 1 150 150 VAL N N 150 127.399 127.399 120.194 7.205 19108 23352 1 26 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.958 -0.206 19108 23353 1 26 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.413 1.026 19108 23354 1 26 . 1 1 150 150 VAL CB C 150 33.178 33.178 34.122 -0.944 19108 23355 1 26 . 1 1 150 150 VAL H H 150 8.658 8.658 8.373 0.285 19108 23356 1 26 . 1 1 151 151 SER N N 151 120.616 120.616 120.072 0.544 19108 23357 1 26 . 1 1 151 151 SER HA H 151 5.179 5.179 4.815 0.364 19108 23358 1 26 . 1 1 151 151 SER CA C 151 56.981 56.981 56.857 0.124 19108 23359 1 26 . 1 1 151 151 SER CB C 151 66.538 66.538 66.479 0.059 19108 23360 1 26 . 1 1 151 151 SER H H 151 8.737 8.737 8.491 0.246 19108 23361 1 26 . 1 1 152 152 ILE N N 152 123.180 123.180 123.713 -0.533 19108 23362 1 26 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.561 0.586 19108 23363 1 26 . 1 1 152 152 ILE CA C 152 56.518 56.518 59.806 -3.288 19108 23364 1 26 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.574 -2.494 19108 23365 1 26 . 1 1 152 152 ILE H H 152 8.672 8.672 8.546 0.126 19108 23366 1 26 . 1 1 153 153 MET N N 153 123.477 123.477 130.708 -7.231 19108 23367 1 26 . 1 1 153 153 MET HA H 153 3.886 3.886 4.597 -0.711 19108 23368 1 26 . 1 1 153 153 MET CA C 153 59.053 59.053 57.562 1.491 19108 23369 1 26 . 1 1 153 153 MET CB C 153 34.793 34.793 33.663 1.130 19108 23370 1 26 . 1 1 153 153 MET H H 153 8.314 8.314 8.359 -0.045 19108 23371 1 26 . 1 1 154 154 THR N N 154 117.621 117.621 115.002 2.619 19108 23372 1 26 . 1 1 154 154 THR HA H 154 4.951 4.951 4.770 0.181 19108 23373 1 26 . 1 1 154 154 THR CA C 154 60.436 60.436 60.221 0.215 19108 23374 1 26 . 1 1 154 154 THR CB C 154 72.370 72.370 71.596 0.774 19108 23375 1 26 . 1 1 154 154 THR H H 154 9.630 9.630 8.097 1.533 19108 23376 1 26 . 1 1 155 155 TYR N N 155 121.751 121.751 122.709 -0.958 19108 23377 1 26 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.267 -0.168 19108 23378 1 26 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.444 1.995 19108 23379 1 26 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.251 1.035 19108 23380 1 26 . 1 1 155 155 TYR H H 155 9.769 9.769 8.997 0.772 19108 23381 1 26 . 1 1 156 156 ASP N N 156 115.555 115.555 116.650 -1.095 19108 23382 1 26 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.055 0.053 19108 23383 1 26 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.113 0.147 19108 23384 1 26 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.960 0.658 19108 23385 1 26 . 1 1 156 156 ASP H H 156 8.230 8.230 8.856 -0.626 19108 23386 1 26 . 1 1 157 157 GLU N N 157 117.678 117.678 120.099 -2.421 19108 23387 1 26 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.072 -0.202 19108 23388 1 26 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.075 1.432 19108 23389 1 26 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.448 1.600 19108 23390 1 26 . 1 1 157 157 GLU H H 157 7.470 7.470 7.640 -0.170 19108 23391 1 26 . 1 1 158 158 PHE N N 158 119.869 119.869 120.032 -0.163 19108 23392 1 26 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.044 -0.215 19108 23393 1 26 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.514 1.262 19108 23394 1 26 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.862 1.045 19108 23395 1 26 . 1 1 158 158 PHE H H 158 8.077 8.077 8.008 0.069 19108 23396 1 26 . 1 1 159 159 LYS N N 159 118.859 118.859 118.290 0.569 19108 23397 1 26 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.965 -0.048 19108 23398 1 26 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.613 -0.382 19108 23399 1 26 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.075 -0.112 19108 23400 1 26 . 1 1 159 159 LYS H H 159 8.273 8.273 7.558 0.715 19108 23401 1 26 . 1 1 160 160 HIS N N 160 115.889 115.889 120.607 -4.718 19108 23402 1 26 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.248 -0.089 19108 23403 1 26 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.495 0.486 19108 23404 1 26 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.640 -1.710 19108 23405 1 26 . 1 1 160 160 HIS H H 160 7.695 7.695 7.656 0.039 19108 23406 1 26 . 1 1 161 161 CYS N N 161 118.188 118.188 117.707 0.481 19108 23407 1 26 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.217 0.572 19108 23408 1 26 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.447 0.347 19108 23409 1 26 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.411 1.475 19108 23410 1 26 . 1 1 161 161 CYS H H 161 7.885 7.885 8.113 -0.228 19108 23411 1 26 . 1 1 162 162 TRP N N 162 122.741 122.741 121.719 1.022 19108 23412 1 26 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.538 0.226 19108 23413 1 26 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.476 0.241 19108 23414 1 26 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.829 -0.236 19108 23415 1 26 . 1 1 162 162 TRP H H 162 8.040 8.040 7.388 0.652 19108 23416 1 26 . 1 1 163 163 ASP N N 163 113.796 113.796 118.334 -4.538 19108 23417 1 26 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.843 0.283 19108 23418 1 26 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.861 1.068 19108 23419 1 26 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.297 0.237 19108 23420 1 26 . 1 1 163 163 ASP H H 163 8.319 8.319 7.945 0.374 19108 23421 1 26 . 1 1 164 164 THR N N 164 112.008 112.008 113.829 -1.821 19108 23422 1 26 . 1 1 164 164 THR HA H 164 3.803 3.803 3.966 -0.163 19108 23423 1 26 . 1 1 164 164 THR CA C 164 65.164 65.164 64.948 0.216 19108 23424 1 26 . 1 1 164 164 THR CB C 164 70.171 70.171 68.784 1.387 19108 23425 1 26 . 1 1 164 164 THR H H 164 7.494 7.494 7.496 -0.002 19108 23426 1 26 . 1 1 165 165 PHE N N 165 115.079 115.079 117.671 -2.592 19108 23427 1 26 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.528 0.007 19108 23428 1 26 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.344 0.625 19108 23429 1 26 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.622 -0.254 19108 23430 1 26 . 1 1 165 165 PHE H H 165 8.235 8.235 7.282 0.953 19108 23431 1 26 . 1 1 166 166 VAL N N 166 118.432 118.432 118.432 0.000 19108 23432 1 26 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.401 -0.376 19108 23433 1 26 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.972 1.029 19108 23434 1 26 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.560 -3.205 19108 23435 1 26 . 1 1 166 166 VAL H H 166 6.838 6.838 7.192 -0.354 19108 23436 1 26 . 1 1 167 167 ASP N N 167 126.263 126.263 126.670 -0.407 19108 23437 1 26 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.387 -0.539 19108 23438 1 26 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.897 -2.267 19108 23439 1 26 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.533 -1.453 19108 23440 1 26 . 1 1 167 167 ASP H H 167 8.498 8.498 8.478 0.020 19108 23441 1 26 . 1 1 168 168 HIS N N 168 119.890 119.890 118.508 1.382 19108 23442 1 26 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.228 0.118 19108 23443 1 26 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.643 -2.068 19108 23444 1 26 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.325 2.138 19108 23445 1 26 . 1 1 168 168 HIS H H 168 6.977 6.977 7.731 -0.754 19108 23446 1 26 . 1 1 169 169 GLN N N 169 119.254 119.254 115.930 3.324 19108 23447 1 26 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.979 -0.256 19108 23448 1 26 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.597 0.173 19108 23449 1 26 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.228 -0.707 19108 23450 1 26 . 1 1 169 169 GLN H H 169 9.126 9.126 8.950 0.176 19108 23451 1 26 . 1 1 170 170 GLY N N 170 111.911 111.911 101.169 10.742 19108 23452 1 26 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.288 0.536 19108 23453 1 26 . 1 1 170 170 GLY H H 170 11.556 11.556 5.201 6.355 19108 23454 1 26 . 1 1 171 171 CYS N N 171 123.390 123.390 121.717 1.673 19108 23455 1 26 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.941 -0.225 19108 23456 1 26 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.648 2.137 19108 23457 1 26 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.038 -1.134 19108 23458 1 26 . 1 1 171 171 CYS H H 171 8.044 8.044 6.879 1.165 19108 23459 1 26 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.767 -0.149 19108 23460 1 26 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.669 -0.811 19108 23461 1 26 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.288 0.241 19108 23462 1 26 . 1 1 173 173 PHE N N 173 121.101 121.101 121.860 -0.759 19108 23463 1 26 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.009 -1.353 19108 23464 1 26 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.680 0.861 19108 23465 1 26 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.544 0.202 19108 23466 1 26 . 1 1 173 173 PHE H H 173 8.842 8.842 7.426 1.416 19108 23467 1 26 . 1 1 174 174 GLN N N 174 129.493 129.493 125.913 3.580 19108 23468 1 26 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.154 0.163 19108 23469 1 26 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.518 -1.723 19108 23470 1 26 . 1 1 174 174 GLN CB C 174 29.097 29.097 29.256 -0.159 19108 23471 1 26 . 1 1 174 174 GLN H H 174 7.250 7.250 7.910 -0.660 19108 23472 1 26 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.994 -1.080 19108 23473 1 26 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.502 -0.079 19108 23474 1 26 . 1 1 176 176 TRP N N 176 118.133 118.133 118.933 -0.800 19108 23475 1 26 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.891 -0.258 19108 23476 1 26 . 1 1 176 176 TRP CA C 176 55.162 55.162 55.284 -0.122 19108 23477 1 26 . 1 1 176 176 TRP CB C 176 28.889 28.889 30.441 -1.552 19108 23478 1 26 . 1 1 176 176 TRP H H 176 5.591 5.591 7.510 -1.919 19108 23479 1 26 . 1 1 177 177 ASP N N 177 121.814 121.814 124.230 -2.416 19108 23480 1 26 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.427 -0.030 19108 23481 1 26 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.810 0.361 19108 23482 1 26 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.280 1.395 19108 23483 1 26 . 1 1 177 177 ASP H H 177 8.848 8.848 8.860 -0.012 19108 23484 1 26 . 1 1 178 178 GLY N N 178 111.875 111.875 110.367 1.508 19108 23485 1 26 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.190 0.476 19108 23486 1 26 . 1 1 178 178 GLY H H 178 8.987 8.987 8.186 0.801 19108 23487 1 26 . 1 1 179 179 LEU N N 179 121.470 121.470 122.293 -0.823 19108 23488 1 26 . 1 1 179 179 LEU HA H 179 4.488 4.488 3.681 0.807 19108 23489 1 26 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.136 2.646 19108 23490 1 26 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.216 1.013 19108 23491 1 26 . 1 1 179 179 LEU H H 179 7.148 7.148 7.951 -0.803 19108 23492 1 26 . 1 1 180 180 ASP N N 180 119.476 119.476 119.015 0.461 19108 23493 1 26 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.324 0.168 19108 23494 1 26 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.701 0.238 19108 23495 1 26 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.992 0.721 19108 23496 1 26 . 1 1 180 180 ASP H H 180 8.874 8.874 8.521 0.353 19108 23497 1 26 . 1 1 181 181 GLU N N 181 122.379 122.379 119.779 2.600 19108 23498 1 26 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.874 0.138 19108 23499 1 26 . 1 1 181 181 GLU CA C 181 59.969 59.969 60.212 -0.243 19108 23500 1 26 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.430 -0.504 19108 23501 1 26 . 1 1 181 181 GLU H H 181 8.712 8.712 8.469 0.243 19108 23502 1 26 . 1 1 182 182 HIS N N 182 118.572 118.572 118.029 0.543 19108 23503 1 26 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.368 0.386 19108 23504 1 26 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.696 -0.667 19108 23505 1 26 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.807 -0.959 19108 23506 1 26 . 1 1 182 182 HIS H H 182 8.854 8.854 8.564 0.290 19108 23507 1 26 . 1 1 183 183 SER N N 183 116.329 116.329 114.721 1.608 19108 23508 1 26 . 1 1 183 183 SER HA H 183 4.554 4.554 4.210 0.344 19108 23509 1 26 . 1 1 183 183 SER CA C 183 63.604 63.604 62.480 1.124 19108 23510 1 26 . 1 1 183 183 SER CB C 183 65.216 65.216 62.737 2.479 19108 23511 1 26 . 1 1 183 183 SER H H 183 8.665 8.665 7.983 0.682 19108 23512 1 26 . 1 1 184 184 GLN N N 184 122.215 122.215 119.769 2.446 19108 23513 1 26 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.157 0.090 19108 23514 1 26 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.537 0.423 19108 23515 1 26 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.441 0.494 19108 23516 1 26 . 1 1 184 184 GLN H H 184 8.714 8.714 8.493 0.221 19108 23517 1 26 . 1 1 185 185 ALA N N 185 124.432 124.432 123.810 0.622 19108 23518 1 26 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.053 0.231 19108 23519 1 26 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.192 0.277 19108 23520 1 26 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.424 -0.050 19108 23521 1 26 . 1 1 185 185 ALA H H 185 8.258 8.258 8.158 0.100 19108 23522 1 26 . 1 1 186 186 LEU N N 186 119.941 119.941 118.953 0.988 19108 23523 1 26 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.800 0.412 19108 23524 1 26 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.313 -0.097 19108 23525 1 26 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.615 1.149 19108 23526 1 26 . 1 1 186 186 LEU H H 186 8.953 8.953 8.186 0.767 19108 23527 1 26 . 1 1 187 187 SER N N 187 116.987 116.987 114.478 2.509 19108 23528 1 26 . 1 1 187 187 SER HA H 187 4.039 4.039 4.033 0.006 19108 23529 1 26 . 1 1 187 187 SER CA C 187 63.302 63.302 61.768 1.534 19108 23530 1 26 . 1 1 187 187 SER CB C 187 62.760 62.760 62.744 0.016 19108 23531 1 26 . 1 1 187 187 SER H H 187 8.935 8.935 8.330 0.605 19108 23532 1 26 . 1 1 188 188 GLY N N 188 110.215 110.215 110.198 0.017 19108 23533 1 26 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.896 0.258 19108 23534 1 26 . 1 1 188 188 GLY H H 188 8.228 8.228 7.930 0.298 19108 23535 1 26 . 1 1 189 189 ARG N N 189 122.994 122.994 122.315 0.679 19108 23536 1 26 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.047 0.190 19108 23537 1 26 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.080 0.479 19108 23538 1 26 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.196 0.199 19108 23539 1 26 . 1 1 189 189 ARG H H 189 7.838 7.838 7.553 0.285 19108 23540 1 26 . 1 1 190 190 LEU N N 190 119.765 119.765 120.694 -0.929 19108 23541 1 26 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.029 0.209 19108 23542 1 26 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.312 -0.093 19108 23543 1 26 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.749 -0.507 19108 23544 1 26 . 1 1 190 190 LEU H H 190 8.791 8.791 7.988 0.803 19108 23545 1 26 . 1 1 191 191 ARG N N 191 118.427 118.427 117.126 1.301 19108 23546 1 26 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.938 0.105 19108 23547 1 26 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.176 0.606 19108 23548 1 26 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.527 0.664 19108 23549 1 26 . 1 1 191 191 ARG H H 191 8.305 8.305 8.679 -0.374 19108 23550 1 26 . 1 1 192 192 ALA N N 192 119.414 119.414 122.110 -2.696 19108 23551 1 26 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.118 0.099 19108 23552 1 26 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.699 0.017 19108 23553 1 26 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.483 -0.318 19108 23554 1 26 . 1 1 192 192 ALA H H 192 7.414 7.414 7.748 -0.334 19108 23555 1 26 . 1 1 193 193 ILE N N 193 118.949 118.949 119.098 -0.149 19108 23556 1 26 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.796 -0.026 19108 23557 1 26 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.105 0.733 19108 23558 1 26 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.038 1.408 19108 23559 1 26 . 1 1 193 193 ILE H H 193 7.896 7.896 7.644 0.252 19108 23560 1 26 . 1 1 194 194 LEU N N 194 116.435 116.435 116.882 -0.447 19108 23561 1 26 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.019 0.254 19108 23562 1 26 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.125 -0.412 19108 23563 1 26 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.358 -1.887 19108 23564 1 26 . 1 1 194 194 LEU H H 194 8.296 8.296 7.726 0.570 19108 23565 1 26 . 1 1 195 195 GLN N N 195 118.580 118.580 114.717 3.863 19108 23566 1 26 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.995 0.340 19108 23567 1 26 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.628 -0.211 19108 23568 1 26 . 1 1 195 195 GLN CB C 195 28.598 28.598 25.923 2.675 19108 23569 1 26 . 1 1 195 195 GLN H H 195 7.921 7.921 7.668 0.253 19108 23570 1 26 . 1 1 196 196 ASN N N 196 118.941 118.941 115.686 3.255 19108 23571 1 26 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.401 0.301 19108 23572 1 26 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.835 -0.385 19108 23573 1 26 . 1 1 196 196 ASN CB C 196 38.825 38.825 38.009 0.816 19108 23574 1 26 . 1 1 196 196 ASN H H 196 8.078 8.078 7.983 0.095 19108 23575 1 26 . 1 1 197 197 GLN N N 197 120.984 120.984 119.483 1.501 19108 23576 1 26 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.184 0.172 19108 23577 1 26 . 1 1 197 197 GLN CA C 197 56.166 56.166 57.301 -1.135 19108 23578 1 26 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.222 0.274 19108 23579 1 26 . 1 1 197 197 GLN H H 197 8.526 8.526 8.604 -0.078 19108 23580 1 26 . 1 1 198 198 GLY N N 198 109.565 109.565 109.794 -0.229 19108 23581 1 26 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.026 0.358 19108 23582 1 26 . 1 1 198 198 GLY H H 198 8.467 8.467 8.278 0.189 19108 23583 1 27 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.379 -0.005 19108 23584 1 27 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.063 0.285 19108 23585 1 27 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.307 0.146 19108 23586 1 27 . 1 1 3 3 ALA N N 3 125.932 125.932 127.155 -1.223 19108 23587 1 27 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.487 -0.137 19108 23588 1 27 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.284 0.123 19108 23589 1 27 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.430 0.150 19108 23590 1 27 . 1 1 3 3 ALA H H 3 8.526 8.526 8.477 0.049 19108 23591 1 27 . 1 1 4 4 SER N N 4 116.729 116.729 113.012 3.717 19108 23592 1 27 . 1 1 4 4 SER HA H 4 4.766 4.766 4.280 0.486 19108 23593 1 27 . 1 1 4 4 SER CA C 4 56.283 56.283 57.864 -1.581 19108 23594 1 27 . 1 1 4 4 SER CB C 4 63.278 63.278 63.501 -0.223 19108 23595 1 27 . 1 1 4 4 SER H H 4 8.397 8.397 8.037 0.360 19108 23596 1 27 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.470 -0.024 19108 23597 1 27 . 1 1 5 5 PRO CA C 5 63.306 63.306 62.963 0.343 19108 23598 1 27 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.361 -0.264 19108 23599 1 27 . 1 1 6 6 ALA N N 6 124.236 124.236 121.073 3.163 19108 23600 1 27 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.618 -0.285 19108 23601 1 27 . 1 1 6 6 ALA CA C 6 52.563 52.563 51.525 1.038 19108 23602 1 27 . 1 1 6 6 ALA CB C 6 19.334 19.334 20.974 -1.640 19108 23603 1 27 . 1 1 6 6 ALA H H 6 8.411 8.411 8.010 0.401 19108 23604 1 27 . 1 1 7 7 SER N N 7 114.497 114.497 118.588 -4.091 19108 23605 1 27 . 1 1 7 7 SER HA H 7 4.475 4.475 4.420 0.055 19108 23606 1 27 . 1 1 7 7 SER CA C 7 58.258 58.258 57.723 0.535 19108 23607 1 27 . 1 1 7 7 SER CB C 7 64.174 64.174 64.038 0.136 19108 23608 1 27 . 1 1 7 7 SER H H 7 8.195 8.195 8.544 -0.349 19108 23609 1 27 . 1 1 8 8 GLY N N 8 110.497 110.497 107.707 2.790 19108 23610 1 27 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.389 -0.543 19108 23611 1 27 . 1 1 8 8 GLY H H 8 8.226 8.226 8.413 -0.187 19108 23612 1 27 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.476 -0.027 19108 23613 1 27 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.066 0.368 19108 23614 1 27 . 1 1 9 9 PRO CB C 9 32.193 32.193 29.938 2.255 19108 23615 1 27 . 1 1 10 10 ARG N N 10 120.534 120.534 121.269 -0.735 19108 23616 1 27 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.399 -0.058 19108 23617 1 27 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.749 1.267 19108 23618 1 27 . 1 1 10 10 ARG CB C 10 30.809 30.809 33.907 -3.098 19108 23619 1 27 . 1 1 10 10 ARG H H 10 8.469 8.469 8.075 0.394 19108 23620 1 27 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.962 -0.137 19108 23621 1 27 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.928 0.533 19108 23622 1 27 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.722 0.469 19108 23623 1 27 . 1 1 12 12 LEU N N 12 122.284 122.284 121.616 0.668 19108 23624 1 27 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.897 0.712 19108 23625 1 27 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.640 1.390 19108 23626 1 27 . 1 1 12 12 LEU H H 12 8.250 8.250 7.907 0.343 19108 23627 1 27 . 1 1 13 13 MET N N 13 121.493 121.493 117.000 4.493 19108 23628 1 27 . 1 1 13 13 MET HA H 13 4.038 4.038 4.486 -0.448 19108 23629 1 27 . 1 1 13 13 MET CA C 13 54.449 54.449 56.070 -1.621 19108 23630 1 27 . 1 1 13 13 MET CB C 13 35.015 35.015 33.020 1.995 19108 23631 1 27 . 1 1 13 13 MET H H 13 8.955 8.955 8.385 0.570 19108 23632 1 27 . 1 1 14 14 ASP N N 14 127.113 127.113 120.141 6.972 19108 23633 1 27 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.732 -0.632 19108 23634 1 27 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.346 0.111 19108 23635 1 27 . 1 1 14 14 ASP CB C 14 42.510 42.510 42.260 0.250 19108 23636 1 27 . 1 1 14 14 ASP H H 14 8.514 8.514 8.382 0.132 19108 23637 1 27 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.037 -0.184 19108 23638 1 27 . 1 1 15 15 PRO CA C 15 66.654 66.654 65.990 0.664 19108 23639 1 27 . 1 1 15 15 PRO CB C 15 31.651 31.651 31.877 -0.226 19108 23640 1 27 . 1 1 16 16 HIS N N 16 115.776 115.776 115.385 0.391 19108 23641 1 27 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.325 -0.047 19108 23642 1 27 . 1 1 16 16 HIS CA C 16 58.918 58.918 58.800 0.118 19108 23643 1 27 . 1 1 16 16 HIS CB C 16 29.208 29.208 28.042 1.166 19108 23644 1 27 . 1 1 16 16 HIS H H 16 8.591 8.591 7.627 0.964 19108 23645 1 27 . 1 1 17 17 ILE N N 17 122.675 122.675 120.276 2.399 19108 23646 1 27 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.682 -0.198 19108 23647 1 27 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.501 -1.275 19108 23648 1 27 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.766 -0.669 19108 23649 1 27 . 1 1 17 17 ILE H H 17 7.558 7.558 7.946 -0.388 19108 23650 1 27 . 1 1 18 18 PHE N N 18 120.513 120.513 120.472 0.041 19108 23651 1 27 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.183 -0.180 19108 23652 1 27 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.678 1.126 19108 23653 1 27 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.492 0.147 19108 23654 1 27 . 1 1 18 18 PHE H H 18 7.831 7.831 7.937 -0.106 19108 23655 1 27 . 1 1 19 19 THR N N 19 114.555 114.555 115.436 -0.881 19108 23656 1 27 . 1 1 19 19 THR HA H 19 3.657 3.657 4.139 -0.482 19108 23657 1 27 . 1 1 19 19 THR CA C 19 66.485 66.485 66.570 -0.085 19108 23658 1 27 . 1 1 19 19 THR CB C 19 68.345 68.345 68.764 -0.419 19108 23659 1 27 . 1 1 19 19 THR H H 19 9.036 9.036 8.920 0.116 19108 23660 1 27 . 1 1 20 20 SER N N 20 113.030 113.030 117.019 -3.989 19108 23661 1 27 . 1 1 20 20 SER HA H 20 4.062 4.062 4.109 -0.047 19108 23662 1 27 . 1 1 20 20 SER CA C 20 60.610 60.610 61.397 -0.787 19108 23663 1 27 . 1 1 20 20 SER CB C 20 63.843 63.843 62.808 1.035 19108 23664 1 27 . 1 1 20 20 SER H H 20 7.809 7.809 8.781 -0.972 19108 23665 1 27 . 1 1 21 21 ASN N N 21 115.629 115.629 118.215 -2.586 19108 23666 1 27 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.268 0.143 19108 23667 1 27 . 1 1 21 21 ASN CA C 21 56.989 56.989 53.916 3.072 19108 23668 1 27 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.901 3.679 19108 23669 1 27 . 1 1 21 21 ASN H H 21 7.362 7.362 7.457 -0.095 19108 23670 1 27 . 1 1 22 22 PHE N N 22 117.773 117.773 115.903 1.870 19108 23671 1 27 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.577 -0.304 19108 23672 1 27 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.771 -0.311 19108 23673 1 27 . 1 1 22 22 PHE CB C 22 37.830 37.830 40.435 -2.605 19108 23674 1 27 . 1 1 22 22 PHE H H 22 8.296 8.296 7.859 0.437 19108 23675 1 27 . 1 1 23 23 ASN N N 23 115.026 115.026 120.053 -5.027 19108 23676 1 27 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.387 0.142 19108 23677 1 27 . 1 1 23 23 ASN CA C 23 53.642 53.642 52.815 0.827 19108 23678 1 27 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.084 -1.461 19108 23679 1 27 . 1 1 23 23 ASN H H 23 6.097 6.097 7.544 -1.447 19108 23680 1 27 . 1 1 24 24 ASN N N 24 122.900 122.900 121.805 1.095 19108 23681 1 27 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.258 0.175 19108 23682 1 27 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.684 -0.411 19108 23683 1 27 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.050 -0.158 19108 23684 1 27 . 1 1 24 24 ASN H H 24 7.083 7.083 8.009 -0.926 19108 23685 1 27 . 1 1 25 25 GLY N N 25 105.587 105.587 112.189 -6.602 19108 23686 1 27 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.953 -0.088 19108 23687 1 27 . 1 1 25 25 GLY H H 25 8.520 8.520 8.616 -0.096 19108 23688 1 27 . 1 1 26 26 ILE N N 26 120.182 120.182 118.182 2.000 19108 23689 1 27 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.567 -0.393 19108 23690 1 27 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.145 1.298 19108 23691 1 27 . 1 1 26 26 ILE CB C 26 40.515 40.515 40.416 0.099 19108 23692 1 27 . 1 1 26 26 ILE H H 26 6.944 6.944 7.786 -0.842 19108 23693 1 27 . 1 1 27 27 GLY N N 27 111.665 111.665 105.459 6.206 19108 23694 1 27 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.149 0.170 19108 23695 1 27 . 1 1 27 27 GLY H H 27 8.457 8.457 8.195 0.262 19108 23696 1 27 . 1 1 28 28 ARG N N 28 117.565 117.565 120.051 -2.486 19108 23697 1 27 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.920 -2.355 19108 23698 1 27 . 1 1 28 28 ARG H H 28 6.741 6.741 7.839 -1.098 19108 23699 1 27 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.056 1.947 19108 23700 1 27 . 1 1 29 29 HIS CB C 29 29.044 29.044 31.137 -2.093 19108 23701 1 27 . 1 1 29 29 HIS H H 29 8.636 8.636 8.367 0.269 19108 23702 1 27 . 1 1 30 30 LYS N N 30 119.344 119.344 120.883 -1.539 19108 23703 1 27 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.265 0.156 19108 23704 1 27 . 1 1 30 30 LYS CA C 30 56.864 56.864 56.001 0.863 19108 23705 1 27 . 1 1 30 30 LYS CB C 30 35.191 35.191 34.436 0.755 19108 23706 1 27 . 1 1 30 30 LYS H H 30 7.870 7.870 8.146 -0.276 19108 23707 1 27 . 1 1 31 31 THR N N 31 118.233 118.233 115.417 2.816 19108 23708 1 27 . 1 1 31 31 THR HA H 31 4.125 4.125 3.505 0.620 19108 23709 1 27 . 1 1 31 31 THR CA C 31 63.175 63.175 62.613 0.562 19108 23710 1 27 . 1 1 31 31 THR H H 31 8.436 8.436 7.576 0.860 19108 23711 1 27 . 1 1 32 32 TYR N N 32 124.026 124.026 124.181 -0.155 19108 23712 1 27 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.059 -0.123 19108 23713 1 27 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.417 0.084 19108 23714 1 27 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.842 1.562 19108 23715 1 27 . 1 1 32 32 TYR H H 32 8.244 8.244 8.821 -0.577 19108 23716 1 27 . 1 1 33 33 LEU N N 33 125.428 125.428 124.069 1.359 19108 23717 1 27 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.305 -0.226 19108 23718 1 27 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.616 1.222 19108 23719 1 27 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.518 1.466 19108 23720 1 27 . 1 1 33 33 LEU H H 33 9.232 9.232 8.754 0.478 19108 23721 1 27 . 1 1 34 34 CYS N N 34 125.975 125.975 126.866 -0.891 19108 23722 1 27 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.018 -0.012 19108 23723 1 27 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.062 1.083 19108 23724 1 27 . 1 1 34 34 CYS CB C 34 28.302 28.302 26.460 1.841 19108 23725 1 27 . 1 1 34 34 CYS H H 34 9.640 9.640 9.077 0.563 19108 23726 1 27 . 1 1 35 35 TYR N N 35 121.183 121.183 122.228 -1.045 19108 23727 1 27 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.699 0.789 19108 23728 1 27 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.809 -0.027 19108 23729 1 27 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.791 2.299 19108 23730 1 27 . 1 1 35 35 TYR H H 35 9.094 9.094 8.584 0.510 19108 23731 1 27 . 1 1 36 36 GLU N N 36 115.538 115.538 120.028 -4.490 19108 23732 1 27 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.799 0.636 19108 23733 1 27 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.001 0.390 19108 23734 1 27 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.892 -0.347 19108 23735 1 27 . 1 1 36 36 GLU H H 36 8.977 8.977 8.456 0.521 19108 23736 1 27 . 1 1 37 37 VAL N N 37 121.600 121.600 121.313 0.287 19108 23737 1 27 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.639 0.520 19108 23738 1 27 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.945 0.103 19108 23739 1 27 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.795 1.275 19108 23740 1 27 . 1 1 37 37 VAL H H 37 9.271 9.271 9.019 0.252 19108 23741 1 27 . 1 1 38 38 GLU N N 38 125.227 125.227 125.624 -0.397 19108 23742 1 27 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.238 -0.020 19108 23743 1 27 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.731 -0.479 19108 23744 1 27 . 1 1 38 38 GLU CB C 38 34.927 34.927 34.031 0.896 19108 23745 1 27 . 1 1 38 38 GLU H H 38 9.114 9.114 8.516 0.598 19108 23746 1 27 . 1 1 39 39 ARG N N 39 124.872 124.872 123.372 1.500 19108 23747 1 27 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.618 0.747 19108 23748 1 27 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.770 0.477 19108 23749 1 27 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.944 -0.379 19108 23750 1 27 . 1 1 39 39 ARG H H 39 9.215 9.215 8.275 0.940 19108 23751 1 27 . 1 1 40 40 LEU N N 40 126.510 126.510 124.227 2.283 19108 23752 1 27 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.695 0.058 19108 23753 1 27 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.195 0.128 19108 23754 1 27 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.829 -2.986 19108 23755 1 27 . 1 1 40 40 LEU H H 40 8.659 8.659 7.860 0.799 19108 23756 1 27 . 1 1 41 41 ASP N N 41 124.410 124.410 122.900 1.510 19108 23757 1 27 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.743 0.050 19108 23758 1 27 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.874 -0.656 19108 23759 1 27 . 1 1 41 41 ASP CB C 41 41.733 41.733 41.972 -0.239 19108 23760 1 27 . 1 1 41 41 ASP H H 41 8.575 8.575 8.193 0.382 19108 23761 1 27 . 1 1 42 42 ASN N N 42 123.319 123.319 123.892 -0.573 19108 23762 1 27 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.397 0.023 19108 23763 1 27 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.795 0.378 19108 23764 1 27 . 1 1 42 42 ASN CB C 42 37.847 37.847 37.620 0.227 19108 23765 1 27 . 1 1 42 42 ASN H H 42 9.048 9.048 8.953 0.095 19108 23766 1 27 . 1 1 43 43 GLY N N 43 106.044 106.044 102.858 3.186 19108 23767 1 27 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.150 0.244 19108 23768 1 27 . 1 1 43 43 GLY H H 43 8.548 8.548 8.306 0.242 19108 23769 1 27 . 1 1 44 44 THR N N 44 115.893 115.893 120.083 -4.190 19108 23770 1 27 . 1 1 44 44 THR HA H 44 4.524 4.524 4.334 0.190 19108 23771 1 27 . 1 1 44 44 THR CA C 44 61.285 61.285 61.892 -0.608 19108 23772 1 27 . 1 1 44 44 THR CB C 44 70.572 70.572 69.088 1.484 19108 23773 1 27 . 1 1 44 44 THR H H 44 7.833 7.833 7.923 -0.090 19108 23774 1 27 . 1 1 45 45 SER N N 45 119.589 119.589 124.495 -4.906 19108 23775 1 27 . 1 1 45 45 SER HA H 45 4.804 4.804 4.917 -0.113 19108 23776 1 27 . 1 1 45 45 SER CA C 45 58.080 58.080 58.725 -0.645 19108 23777 1 27 . 1 1 45 45 SER CB C 45 64.265 64.265 63.403 0.862 19108 23778 1 27 . 1 1 45 45 SER H H 45 8.590 8.590 8.762 -0.172 19108 23779 1 27 . 1 1 46 46 VAL N N 46 125.827 125.827 126.603 -0.776 19108 23780 1 27 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.191 0.102 19108 23781 1 27 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.754 0.089 19108 23782 1 27 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.158 0.359 19108 23783 1 27 . 1 1 46 46 VAL H H 46 9.034 9.034 8.567 0.467 19108 23784 1 27 . 1 1 47 47 LYS N N 47 126.528 126.528 128.505 -1.977 19108 23785 1 27 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.549 -0.264 19108 23786 1 27 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.334 2.330 19108 23787 1 27 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.860 -1.068 19108 23788 1 27 . 1 1 47 47 LYS H H 47 8.738 8.738 8.442 0.296 19108 23789 1 27 . 1 1 48 48 MET N N 48 122.645 122.645 125.978 -3.333 19108 23790 1 27 . 1 1 48 48 MET HA H 48 5.195 5.195 4.660 0.535 19108 23791 1 27 . 1 1 48 48 MET CA C 48 54.747 54.747 55.491 -0.744 19108 23792 1 27 . 1 1 48 48 MET CB C 48 32.379 32.379 33.590 -1.211 19108 23793 1 27 . 1 1 48 48 MET H H 48 8.334 8.334 8.279 0.055 19108 23794 1 27 . 1 1 49 49 ASP N N 49 123.713 123.713 122.159 1.554 19108 23795 1 27 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.580 -0.156 19108 23796 1 27 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.171 0.439 19108 23797 1 27 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.280 -0.246 19108 23798 1 27 . 1 1 49 49 ASP H H 49 8.575 8.575 8.661 -0.086 19108 23799 1 27 . 1 1 50 50 GLN N N 50 117.540 117.540 120.163 -2.623 19108 23800 1 27 . 1 1 50 50 GLN H H 50 9.110 9.110 8.515 0.595 19108 23801 1 27 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.740 0.411 19108 23802 1 27 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.571 -1.736 19108 23803 1 27 . 1 1 51 51 HIS H H 51 8.031 8.031 8.451 -0.420 19108 23804 1 27 . 1 1 52 52 ARG N N 52 117.888 117.888 119.803 -1.915 19108 23805 1 27 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.225 1.012 19108 23806 1 27 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.913 0.142 19108 23807 1 27 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.953 1.101 19108 23808 1 27 . 1 1 52 52 ARG H H 52 7.685 7.685 7.457 0.228 19108 23809 1 27 . 1 1 53 53 GLY N N 53 108.573 108.573 105.539 3.034 19108 23810 1 27 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.246 0.462 19108 23811 1 27 . 1 1 53 53 GLY H H 53 7.529 7.529 7.273 0.256 19108 23812 1 27 . 1 1 54 54 PHE N N 54 113.146 113.146 115.662 -2.516 19108 23813 1 27 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.727 0.268 19108 23814 1 27 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.889 -0.033 19108 23815 1 27 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.878 2.485 19108 23816 1 27 . 1 1 54 54 PHE H H 54 8.287 8.287 7.842 0.445 19108 23817 1 27 . 1 1 55 55 LEU N N 55 119.389 119.389 120.740 -1.351 19108 23818 1 27 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.514 0.181 19108 23819 1 27 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.177 0.535 19108 23820 1 27 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.321 0.307 19108 23821 1 27 . 1 1 55 55 LEU H H 55 9.452 9.452 8.928 0.524 19108 23822 1 27 . 1 1 56 56 HIS N N 56 114.176 114.176 112.756 1.420 19108 23823 1 27 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.888 0.551 19108 23824 1 27 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.445 0.020 19108 23825 1 27 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.562 -0.095 19108 23826 1 27 . 1 1 56 56 HIS H H 56 7.709 7.709 7.349 0.360 19108 23827 1 27 . 1 1 57 57 ASN N N 57 116.522 116.522 118.065 -1.543 19108 23828 1 27 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.531 -0.116 19108 23829 1 27 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.877 0.306 19108 23830 1 27 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.818 -1.155 19108 23831 1 27 . 1 1 57 57 ASN H H 57 8.684 8.684 7.977 0.707 19108 23832 1 27 . 1 1 58 58 GLN N N 58 122.850 122.850 122.530 0.320 19108 23833 1 27 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.540 0.849 19108 23834 1 27 . 1 1 58 58 GLN CA C 58 54.853 54.853 58.382 -3.529 19108 23835 1 27 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.364 2.018 19108 23836 1 27 . 1 1 58 58 GLN H H 58 9.099 9.099 8.605 0.494 19108 23837 1 27 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.030 0.270 19108 23838 1 27 . 1 1 59 59 ALA CA C 59 52.504 52.504 53.100 -0.596 19108 23839 1 27 . 1 1 59 59 ALA CB C 59 19.421 19.421 18.690 0.731 19108 23840 1 27 . 1 1 60 60 LYS N N 60 119.998 119.998 121.258 -1.260 19108 23841 1 27 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.560 -0.784 19108 23842 1 27 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.679 0.622 19108 23843 1 27 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.817 0.999 19108 23844 1 27 . 1 1 60 60 LYS H H 60 8.344 8.344 8.623 -0.279 19108 23845 1 27 . 1 1 61 61 ASN N N 61 119.688 119.688 120.163 -0.475 19108 23846 1 27 . 1 1 61 61 ASN HA H 61 4.455 4.455 5.025 -0.570 19108 23847 1 27 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.064 -0.160 19108 23848 1 27 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.785 -1.248 19108 23849 1 27 . 1 1 61 61 ASN H H 61 8.643 8.643 8.217 0.426 19108 23850 1 27 . 1 1 62 62 LEU N N 62 124.761 124.761 118.477 6.284 19108 23851 1 27 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.460 -0.526 19108 23852 1 27 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.642 1.603 19108 23853 1 27 . 1 1 62 62 LEU CB C 62 40.943 40.943 40.885 0.058 19108 23854 1 27 . 1 1 62 62 LEU H H 62 8.873 8.873 8.232 0.641 19108 23855 1 27 . 1 1 63 63 LEU N N 63 120.312 120.312 121.319 -1.007 19108 23856 1 27 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.075 0.124 19108 23857 1 27 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.858 0.219 19108 23858 1 27 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.853 -0.596 19108 23859 1 27 . 1 1 63 63 LEU H H 63 8.145 8.145 8.290 -0.145 19108 23860 1 27 . 1 1 64 64 CYS N N 64 113.898 113.898 116.703 -2.805 19108 23861 1 27 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.622 -0.451 19108 23862 1 27 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.306 -0.522 19108 23863 1 27 . 1 1 64 64 CYS CB C 64 28.718 28.718 29.154 -0.436 19108 23864 1 27 . 1 1 64 64 CYS H H 64 7.376 7.376 8.249 -0.873 19108 23865 1 27 . 1 1 65 65 GLY N N 65 108.894 108.894 110.087 -1.193 19108 23866 1 27 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.098 0.885 19108 23867 1 27 . 1 1 65 65 GLY H H 65 7.789 7.789 7.911 -0.122 19108 23868 1 27 . 1 1 66 66 PHE N N 66 118.711 118.711 119.123 -0.412 19108 23869 1 27 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.445 -0.528 19108 23870 1 27 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.517 -1.577 19108 23871 1 27 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.156 1.112 19108 23872 1 27 . 1 1 66 66 PHE H H 66 7.699 7.699 7.834 -0.135 19108 23873 1 27 . 1 1 67 67 TYR N N 67 124.623 124.623 118.826 5.797 19108 23874 1 27 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.510 -0.210 19108 23875 1 27 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.114 -0.350 19108 23876 1 27 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.583 -0.430 19108 23877 1 27 . 1 1 67 67 TYR H H 67 8.568 8.568 7.881 0.687 19108 23878 1 27 . 1 1 69 69 ARG N N 69 121.427 121.427 120.210 1.217 19108 23879 1 27 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.471 2.586 19108 23880 1 27 . 1 1 69 69 ARG CB C 69 32.296 32.296 31.920 0.376 19108 23881 1 27 . 1 1 69 69 ARG H H 69 8.313 8.313 7.417 0.896 19108 23882 1 27 . 1 1 70 70 HIS N N 70 128.351 128.351 118.681 9.670 19108 23883 1 27 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.838 -0.056 19108 23884 1 27 . 1 1 70 70 HIS CA C 70 56.716 56.716 54.846 1.870 19108 23885 1 27 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.778 0.998 19108 23886 1 27 . 1 1 70 70 HIS H H 70 9.182 9.182 7.952 1.230 19108 23887 1 27 . 1 1 71 71 ALA N N 71 125.649 125.649 124.474 1.175 19108 23888 1 27 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.915 -0.558 19108 23889 1 27 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.209 0.573 19108 23890 1 27 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.571 -0.561 19108 23891 1 27 . 1 1 71 71 ALA H H 71 8.968 8.968 9.096 -0.128 19108 23892 1 27 . 1 1 72 72 GLU N N 72 119.941 119.941 118.625 1.316 19108 23893 1 27 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.746 -0.769 19108 23894 1 27 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.527 1.429 19108 23895 1 27 . 1 1 72 72 GLU CB C 72 28.006 28.006 28.999 -0.993 19108 23896 1 27 . 1 1 72 72 GLU H H 72 12.692 12.692 8.427 4.265 19108 23897 1 27 . 1 1 73 73 LEU N N 73 114.882 114.882 119.881 -4.999 19108 23898 1 27 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.277 -0.692 19108 23899 1 27 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.532 -0.871 19108 23900 1 27 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.489 -2.244 19108 23901 1 27 . 1 1 73 73 LEU H H 73 6.637 6.637 8.035 -1.398 19108 23902 1 27 . 1 1 74 74 ARG N N 74 117.799 117.799 119.139 -1.340 19108 23903 1 27 . 1 1 74 74 ARG CA C 74 59.042 59.042 59.434 -0.392 19108 23904 1 27 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.129 -0.954 19108 23905 1 27 . 1 1 74 74 ARG H H 74 7.556 7.556 7.853 -0.297 19108 23906 1 27 . 1 1 75 75 PHE N N 75 119.783 119.783 119.734 0.049 19108 23907 1 27 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.049 -0.488 19108 23908 1 27 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.395 1.280 19108 23909 1 27 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.794 -0.756 19108 23910 1 27 . 1 1 75 75 PHE H H 75 8.233 8.233 7.927 0.306 19108 23911 1 27 . 1 1 76 76 LEU N N 76 119.526 119.526 119.427 0.099 19108 23912 1 27 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.468 0.090 19108 23913 1 27 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.054 0.985 19108 23914 1 27 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.665 -2.649 19108 23915 1 27 . 1 1 76 76 LEU H H 76 7.629 7.629 8.306 -0.677 19108 23916 1 27 . 1 1 77 77 ASP N N 77 118.215 118.215 119.467 -1.252 19108 23917 1 27 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.427 -0.269 19108 23918 1 27 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.986 -0.585 19108 23919 1 27 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.343 -0.975 19108 23920 1 27 . 1 1 77 77 ASP H H 77 8.190 8.190 8.069 0.121 19108 23921 1 27 . 1 1 78 78 LEU N N 78 117.496 117.496 114.609 2.887 19108 23922 1 27 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.512 -0.222 19108 23923 1 27 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.500 -0.515 19108 23924 1 27 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.647 0.754 19108 23925 1 27 . 1 1 78 78 LEU H H 78 7.252 7.252 7.196 0.056 19108 23926 1 27 . 1 1 79 79 VAL N N 79 120.915 120.915 123.010 -2.095 19108 23927 1 27 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.619 -0.396 19108 23928 1 27 . 1 1 79 79 VAL CA C 79 68.528 68.528 67.629 0.899 19108 23929 1 27 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.944 0.176 19108 23930 1 27 . 1 1 79 79 VAL H H 79 7.179 7.179 6.863 0.316 19108 23931 1 27 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.376 -0.401 19108 23932 1 27 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.225 1.562 19108 23933 1 27 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.907 -1.099 19108 23934 1 27 . 1 1 81 81 SER N N 81 112.727 112.727 111.901 0.826 19108 23935 1 27 . 1 1 81 81 SER HA H 81 4.314 4.314 4.261 0.053 19108 23936 1 27 . 1 1 81 81 SER CA C 81 60.618 60.618 60.361 0.257 19108 23937 1 27 . 1 1 81 81 SER CB C 81 63.450 63.450 62.812 0.638 19108 23938 1 27 . 1 1 81 81 SER H H 81 7.828 7.828 7.618 0.210 19108 23939 1 27 . 1 1 82 82 LEU N N 82 120.918 120.918 120.538 0.380 19108 23940 1 27 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.524 -0.650 19108 23941 1 27 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.358 0.134 19108 23942 1 27 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.851 -2.640 19108 23943 1 27 . 1 1 82 82 LEU H H 82 7.912 7.912 7.440 0.472 19108 23944 1 27 . 1 1 83 83 GLN N N 83 111.397 111.397 116.827 -5.430 19108 23945 1 27 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.993 -0.185 19108 23946 1 27 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.721 0.445 19108 23947 1 27 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.174 -0.506 19108 23948 1 27 . 1 1 83 83 GLN H H 83 7.458 7.458 8.061 -0.603 19108 23949 1 27 . 1 1 84 84 LEU N N 84 118.520 118.520 120.293 -1.773 19108 23950 1 27 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.086 -0.367 19108 23951 1 27 . 1 1 84 84 LEU CA C 84 54.742 54.742 55.261 -0.519 19108 23952 1 27 . 1 1 84 84 LEU CB C 84 39.245 39.245 41.546 -2.301 19108 23953 1 27 . 1 1 84 84 LEU H H 84 8.736 8.736 7.978 0.758 19108 23954 1 27 . 1 1 85 85 ASP N N 85 126.187 126.187 125.197 0.990 19108 23955 1 27 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.968 -0.085 19108 23956 1 27 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.755 -0.409 19108 23957 1 27 . 1 1 85 85 ASP CB C 85 42.948 42.948 42.913 0.035 19108 23958 1 27 . 1 1 85 85 ASP H H 85 8.415 8.415 8.481 -0.066 19108 23959 1 27 . 1 1 86 86 PRO HA H 86 3.928 3.928 4.629 -0.701 19108 23960 1 27 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.896 -0.258 19108 23961 1 27 . 1 1 86 86 PRO CB C 86 31.286 31.286 32.239 -0.953 19108 23962 1 27 . 1 1 87 87 ALA N N 87 121.030 121.030 120.173 0.857 19108 23963 1 27 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.182 0.236 19108 23964 1 27 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.878 -1.706 19108 23965 1 27 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.873 0.475 19108 23966 1 27 . 1 1 87 87 ALA H H 87 8.504 8.504 8.130 0.374 19108 23967 1 27 . 1 1 88 88 GLN N N 88 119.601 119.601 114.177 5.424 19108 23968 1 27 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.581 -0.059 19108 23969 1 27 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.471 -1.037 19108 23970 1 27 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.037 -2.988 19108 23971 1 27 . 1 1 88 88 GLN H H 88 8.125 8.125 7.575 0.550 19108 23972 1 27 . 1 1 89 89 ILE N N 89 118.195 118.195 119.890 -1.695 19108 23973 1 27 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.281 0.688 19108 23974 1 27 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.457 -0.916 19108 23975 1 27 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.872 0.380 19108 23976 1 27 . 1 1 89 89 ILE H H 89 8.099 8.099 8.577 -0.478 19108 23977 1 27 . 1 1 90 90 TYR N N 90 122.421 122.421 125.465 -3.044 19108 23978 1 27 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.012 0.349 19108 23979 1 27 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.938 -0.898 19108 23980 1 27 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.389 -0.563 19108 23981 1 27 . 1 1 90 90 TYR H H 90 8.892 8.892 8.253 0.639 19108 23982 1 27 . 1 1 91 91 ARG N N 91 121.043 121.043 122.251 -1.208 19108 23983 1 27 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.957 0.286 19108 23984 1 27 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.929 -1.394 19108 23985 1 27 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.242 -0.110 19108 23986 1 27 . 1 1 91 91 ARG H H 91 9.327 9.327 9.086 0.241 19108 23987 1 27 . 1 1 92 92 VAL N N 92 132.287 132.287 128.877 3.410 19108 23988 1 27 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.100 -0.176 19108 23989 1 27 . 1 1 92 92 VAL CA C 92 60.905 60.905 60.352 0.553 19108 23990 1 27 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.890 -0.037 19108 23991 1 27 . 1 1 92 92 VAL H H 92 9.668 9.668 9.147 0.521 19108 23992 1 27 . 1 1 93 93 THR N N 93 124.468 124.468 124.149 0.319 19108 23993 1 27 . 1 1 93 93 THR HA H 93 5.264 5.264 4.747 0.517 19108 23994 1 27 . 1 1 93 93 THR CA C 93 61.616 61.616 62.577 -0.961 19108 23995 1 27 . 1 1 93 93 THR CB C 93 70.082 70.082 69.816 0.266 19108 23996 1 27 . 1 1 93 93 THR H H 93 9.381 9.381 8.501 0.880 19108 23997 1 27 . 1 1 94 94 TRP N N 94 124.491 124.491 127.769 -3.278 19108 23998 1 27 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.038 0.628 19108 23999 1 27 . 1 1 94 94 TRP CA C 94 52.205 52.205 55.240 -3.035 19108 24000 1 27 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.062 2.606 19108 24001 1 27 . 1 1 94 94 TRP H H 94 9.071 9.071 9.194 -0.123 19108 24002 1 27 . 1 1 95 95 PHE N N 95 122.179 122.179 122.732 -0.553 19108 24003 1 27 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.015 0.655 19108 24004 1 27 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.288 -0.514 19108 24005 1 27 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.633 -1.184 19108 24006 1 27 . 1 1 95 95 PHE H H 95 9.578 9.578 8.757 0.821 19108 24007 1 27 . 1 1 96 96 ILE N N 96 125.072 125.072 121.639 3.433 19108 24008 1 27 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.142 0.831 19108 24009 1 27 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.891 -1.464 19108 24010 1 27 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.222 4.851 19108 24011 1 27 . 1 1 96 96 ILE H H 96 9.816 9.816 8.402 1.414 19108 24012 1 27 . 1 1 97 97 SER N N 97 124.020 124.020 118.542 5.478 19108 24013 1 27 . 1 1 97 97 SER HA H 97 3.623 3.623 4.831 -1.208 19108 24014 1 27 . 1 1 97 97 SER CA C 97 61.750 61.750 59.633 2.117 19108 24015 1 27 . 1 1 97 97 SER CB C 97 63.711 63.711 64.141 -0.430 19108 24016 1 27 . 1 1 97 97 SER H H 97 9.156 9.156 8.471 0.685 19108 24017 1 27 . 1 1 98 98 TRP N N 98 114.829 114.829 122.394 -7.565 19108 24018 1 27 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.164 0.175 19108 24019 1 27 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.018 -2.347 19108 24020 1 27 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.511 3.240 19108 24021 1 27 . 1 1 98 98 TRP H H 98 6.619 6.619 7.813 -1.194 19108 24022 1 27 . 1 1 99 99 SER N N 99 115.444 115.444 120.973 -5.529 19108 24023 1 27 . 1 1 99 99 SER CA C 99 58.045 58.045 57.909 0.136 19108 24024 1 27 . 1 1 99 99 SER CB C 99 61.927 61.927 62.361 -0.434 19108 24025 1 27 . 1 1 99 99 SER H H 99 8.590 8.590 8.061 0.529 19108 24026 1 27 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.431 -1.506 19108 24027 1 27 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.603 2.193 19108 24028 1 27 . 1 1 101 101 CYS N N 101 121.768 121.768 115.602 6.166 19108 24029 1 27 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.994 1.665 19108 24030 1 27 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.477 1.712 19108 24031 1 27 . 1 1 101 101 CYS H H 101 8.686 8.686 8.428 0.258 19108 24032 1 27 . 1 1 102 102 PHE N N 102 115.031 115.031 123.102 -8.071 19108 24033 1 27 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.166 1.794 19108 24034 1 27 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.905 1.252 19108 24035 1 27 . 1 1 102 102 PHE H H 102 9.318 9.318 8.537 0.781 19108 24036 1 27 . 1 1 103 103 SER N N 103 119.552 119.552 123.984 -4.432 19108 24037 1 27 . 1 1 103 103 SER HA H 103 3.713 3.713 4.198 -0.485 19108 24038 1 27 . 1 1 103 103 SER CA C 103 63.368 63.368 62.231 1.137 19108 24039 1 27 . 1 1 103 103 SER CB C 103 60.539 60.539 62.799 -2.260 19108 24040 1 27 . 1 1 103 103 SER H H 103 10.858 10.858 8.920 1.938 19108 24041 1 27 . 1 1 104 104 TRP N N 104 117.909 117.909 121.530 -3.621 19108 24042 1 27 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.680 -0.904 19108 24043 1 27 . 1 1 104 104 TRP CA C 104 59.214 59.214 59.947 -0.733 19108 24044 1 27 . 1 1 104 104 TRP CB C 104 27.886 27.886 28.910 -1.024 19108 24045 1 27 . 1 1 104 104 TRP H H 104 7.880 7.880 8.648 -0.768 19108 24046 1 27 . 1 1 105 105 GLY N N 105 106.359 106.359 108.436 -2.077 19108 24047 1 27 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.775 -0.694 19108 24048 1 27 . 1 1 105 105 GLY H H 105 7.468 7.468 8.860 -1.392 19108 24049 1 27 . 1 1 106 106 CYS N N 106 120.359 120.359 120.857 -0.498 19108 24050 1 27 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.399 -0.540 19108 24051 1 27 . 1 1 106 106 CYS CA C 106 67.102 67.102 63.018 4.084 19108 24052 1 27 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.330 2.388 19108 24053 1 27 . 1 1 106 106 CYS H H 106 7.366 7.366 8.048 -0.682 19108 24054 1 27 . 1 1 107 107 ALA N N 107 119.725 119.725 122.374 -2.649 19108 24055 1 27 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.017 -0.152 19108 24056 1 27 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.035 1.899 19108 24057 1 27 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.081 0.362 19108 24058 1 27 . 1 1 107 107 ALA H H 107 8.719 8.719 8.612 0.107 19108 24059 1 27 . 1 1 108 108 GLY N N 108 103.829 103.829 106.840 -3.011 19108 24060 1 27 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.112 -0.218 19108 24061 1 27 . 1 1 108 108 GLY H H 108 8.555 8.555 8.747 -0.192 19108 24062 1 27 . 1 1 109 109 GLU N N 109 123.162 123.162 120.565 2.597 19108 24063 1 27 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.116 0.150 19108 24064 1 27 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.802 0.490 19108 24065 1 27 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.735 0.647 19108 24066 1 27 . 1 1 109 109 GLU H H 109 8.023 8.023 7.654 0.369 19108 24067 1 27 . 1 1 110 110 VAL N N 110 121.866 121.866 119.404 2.462 19108 24068 1 27 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.823 -0.124 19108 24069 1 27 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.017 1.026 19108 24070 1 27 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.511 -0.505 19108 24071 1 27 . 1 1 110 110 VAL H H 110 8.942 8.942 7.199 1.743 19108 24072 1 27 . 1 1 111 111 ARG N N 111 120.587 120.587 119.548 1.039 19108 24073 1 27 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.914 -0.128 19108 24074 1 27 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.413 0.668 19108 24075 1 27 . 1 1 111 111 ARG CB C 111 29.175 29.175 28.864 0.311 19108 24076 1 27 . 1 1 111 111 ARG H H 111 8.653 8.653 8.773 -0.120 19108 24077 1 27 . 1 1 112 112 ALA N N 112 120.687 120.687 121.721 -1.034 19108 24078 1 27 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.063 0.071 19108 24079 1 27 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.510 0.908 19108 24080 1 27 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.584 -0.593 19108 24081 1 27 . 1 1 112 112 ALA H H 112 7.875 7.875 7.705 0.170 19108 24082 1 27 . 1 1 113 113 PHE N N 113 118.950 118.950 119.973 -1.023 19108 24083 1 27 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.098 0.239 19108 24084 1 27 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.342 0.034 19108 24085 1 27 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.012 0.375 19108 24086 1 27 . 1 1 113 113 PHE H H 113 8.139 8.139 7.618 0.521 19108 24087 1 27 . 1 1 114 114 LEU N N 114 120.595 120.595 119.655 0.940 19108 24088 1 27 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.873 -0.073 19108 24089 1 27 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.776 -0.643 19108 24090 1 27 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.715 -0.806 19108 24091 1 27 . 1 1 114 114 LEU H H 114 8.639 8.639 7.885 0.754 19108 24092 1 27 . 1 1 115 115 GLN N N 115 117.666 117.666 116.762 0.904 19108 24093 1 27 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.938 0.085 19108 24094 1 27 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.462 -0.076 19108 24095 1 27 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.412 0.126 19108 24096 1 27 . 1 1 115 115 GLN H H 115 8.167 8.167 7.773 0.394 19108 24097 1 27 . 1 1 116 116 GLU N N 116 115.380 115.380 118.093 -2.713 19108 24098 1 27 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.283 0.039 19108 24099 1 27 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.908 0.154 19108 24100 1 27 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.094 -0.379 19108 24101 1 27 . 1 1 116 116 GLU H H 116 7.448 7.448 7.689 -0.241 19108 24102 1 27 . 1 1 117 117 ASN N N 117 119.831 119.831 116.261 3.570 19108 24103 1 27 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.817 0.248 19108 24104 1 27 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.459 -0.274 19108 24105 1 27 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.491 -1.245 19108 24106 1 27 . 1 1 117 117 ASN H H 117 7.632 7.632 7.729 -0.097 19108 24107 1 27 . 1 1 118 118 THR N N 118 111.041 111.041 115.123 -4.082 19108 24108 1 27 . 1 1 118 118 THR HA H 118 4.317 4.317 4.123 0.194 19108 24109 1 27 . 1 1 118 118 THR CA C 118 64.081 64.081 63.775 0.306 19108 24110 1 27 . 1 1 118 118 THR CB C 118 68.767 68.767 68.510 0.257 19108 24111 1 27 . 1 1 118 118 THR H H 118 8.054 8.054 7.870 0.184 19108 24112 1 27 . 1 1 119 119 HIS N N 119 120.403 120.403 116.232 4.171 19108 24113 1 27 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.606 -0.317 19108 24114 1 27 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.456 1.145 19108 24115 1 27 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.515 0.805 19108 24116 1 27 . 1 1 119 119 HIS H H 119 9.248 9.248 8.106 1.142 19108 24117 1 27 . 1 1 120 120 VAL N N 120 120.001 120.001 119.439 0.562 19108 24118 1 27 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.728 -0.202 19108 24119 1 27 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.321 2.569 19108 24120 1 27 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.279 -1.284 19108 24121 1 27 . 1 1 120 120 VAL H H 120 7.379 7.379 7.372 0.007 19108 24122 1 27 . 1 1 121 121 ARG N N 121 125.312 125.312 128.162 -2.850 19108 24123 1 27 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.567 0.243 19108 24124 1 27 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.986 -1.919 19108 24125 1 27 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.912 -1.332 19108 24126 1 27 . 1 1 121 121 ARG H H 121 8.775 8.775 8.670 0.105 19108 24127 1 27 . 1 1 122 122 LEU N N 122 125.483 125.483 123.770 1.713 19108 24128 1 27 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.327 -0.167 19108 24129 1 27 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.398 -0.097 19108 24130 1 27 . 1 1 122 122 LEU CB C 122 46.672 46.672 45.625 1.047 19108 24131 1 27 . 1 1 122 122 LEU H H 122 9.345 9.345 8.594 0.751 19108 24132 1 27 . 1 1 123 123 ARG N N 123 127.748 127.748 124.059 3.689 19108 24133 1 27 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.392 0.344 19108 24134 1 27 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.851 -0.684 19108 24135 1 27 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.114 0.698 19108 24136 1 27 . 1 1 123 123 ARG H H 123 9.053 9.053 8.265 0.788 19108 24137 1 27 . 1 1 124 124 ILE N N 124 123.665 123.665 123.874 -0.209 19108 24138 1 27 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.323 0.119 19108 24139 1 27 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.095 0.664 19108 24140 1 27 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.068 1.825 19108 24141 1 27 . 1 1 124 124 ILE H H 124 9.019 9.019 8.581 0.438 19108 24142 1 27 . 1 1 125 125 PHE N N 125 126.320 126.320 127.465 -1.145 19108 24143 1 27 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.402 -0.237 19108 24144 1 27 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.668 0.246 19108 24145 1 27 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.285 0.534 19108 24146 1 27 . 1 1 125 125 PHE H H 125 9.359 9.359 8.096 1.263 19108 24147 1 27 . 1 1 126 126 ALA N N 126 124.526 124.526 127.740 -3.214 19108 24148 1 27 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.797 1.019 19108 24149 1 27 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.495 -2.625 19108 24150 1 27 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.092 1.242 19108 24151 1 27 . 1 1 126 126 ALA H H 126 9.091 9.091 8.435 0.656 19108 24152 1 27 . 1 1 127 127 ALA N N 127 126.272 126.272 128.877 -2.605 19108 24153 1 27 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.489 0.262 19108 24154 1 27 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.644 1.824 19108 24155 1 27 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.837 -0.232 19108 24156 1 27 . 1 1 127 127 ALA H H 127 9.049 9.049 9.153 -0.104 19108 24157 1 27 . 1 1 128 128 ARG N N 128 108.570 108.570 118.147 -9.577 19108 24158 1 27 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.636 -0.222 19108 24159 1 27 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.114 4.092 19108 24160 1 27 . 1 1 128 128 ARG H H 128 6.741 6.741 7.593 -0.852 19108 24161 1 27 . 1 1 129 129 ILE N N 129 121.285 121.285 123.779 -2.494 19108 24162 1 27 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.100 0.191 19108 24163 1 27 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.547 0.320 19108 24164 1 27 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.428 0.401 19108 24165 1 27 . 1 1 129 129 ILE H H 129 8.340 8.340 8.356 -0.016 19108 24166 1 27 . 1 1 130 130 TYR N N 130 130.143 130.143 125.521 4.622 19108 24167 1 27 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.307 1.028 19108 24168 1 27 . 1 1 130 130 TYR CA C 130 56.926 56.926 58.370 -1.444 19108 24169 1 27 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.825 -2.662 19108 24170 1 27 . 1 1 130 130 TYR H H 130 8.870 8.870 8.883 -0.013 19108 24171 1 27 . 1 1 131 131 ASP N N 131 123.662 123.662 122.470 1.192 19108 24172 1 27 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.957 -1.290 19108 24173 1 27 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.867 0.847 19108 24174 1 27 . 1 1 131 131 ASP CB C 131 38.901 38.901 43.256 -4.355 19108 24175 1 27 . 1 1 131 131 ASP H H 131 8.123 8.123 8.194 -0.071 19108 24176 1 27 . 1 1 132 132 TYR N N 132 116.852 116.852 120.109 -3.257 19108 24177 1 27 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.438 -0.523 19108 24178 1 27 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.287 0.181 19108 24179 1 27 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.824 0.213 19108 24180 1 27 . 1 1 132 132 TYR H H 132 6.448 6.448 8.675 -2.227 19108 24181 1 27 . 1 1 133 133 ASP N N 133 116.930 116.930 119.582 -2.652 19108 24182 1 27 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.673 -1.508 19108 24183 1 27 . 1 1 133 133 ASP CB C 133 42.782 42.782 40.800 1.982 19108 24184 1 27 . 1 1 133 133 ASP H H 133 7.005 7.005 7.787 -0.782 19108 24185 1 27 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.239 -0.136 19108 24186 1 27 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.415 -0.714 19108 24187 1 27 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.948 0.142 19108 24188 1 27 . 1 1 135 135 LEU N N 135 120.252 120.252 118.551 1.701 19108 24189 1 27 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.048 0.650 19108 24190 1 27 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.527 -2.146 19108 24191 1 27 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.648 -0.904 19108 24192 1 27 . 1 1 135 135 LEU H H 135 8.456 8.456 7.914 0.542 19108 24193 1 27 . 1 1 136 136 TYR N N 136 117.432 117.432 120.831 -3.399 19108 24194 1 27 . 1 1 136 136 TYR HA H 136 4.061 4.061 3.960 0.101 19108 24195 1 27 . 1 1 136 136 TYR CA C 136 61.058 61.058 61.332 -0.274 19108 24196 1 27 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.955 -0.375 19108 24197 1 27 . 1 1 136 136 TYR H H 136 8.028 8.028 7.784 0.244 19108 24198 1 27 . 1 1 137 137 LYS N N 137 122.000 122.000 117.651 4.349 19108 24199 1 27 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.469 0.830 19108 24200 1 27 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.435 -0.637 19108 24201 1 27 . 1 1 137 137 LYS H H 137 7.503 7.503 7.567 -0.064 19108 24202 1 27 . 1 1 138 138 GLU N N 138 121.833 121.833 121.197 0.636 19108 24203 1 27 . 1 1 138 138 GLU CA C 138 59.841 59.841 58.806 1.035 19108 24204 1 27 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.302 -1.833 19108 24205 1 27 . 1 1 138 138 GLU H H 138 8.752 8.752 8.202 0.550 19108 24206 1 27 . 1 1 139 139 ALA N N 139 119.592 119.592 121.710 -2.118 19108 24207 1 27 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.145 -0.299 19108 24208 1 27 . 1 1 139 139 ALA CA C 139 55.140 55.140 54.944 0.196 19108 24209 1 27 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.186 2.069 19108 24210 1 27 . 1 1 139 139 ALA H H 139 7.682 7.682 8.036 -0.354 19108 24211 1 27 . 1 1 140 140 LEU N N 140 116.268 116.268 120.342 -4.074 19108 24212 1 27 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.116 0.077 19108 24213 1 27 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.728 -0.633 19108 24214 1 27 . 1 1 140 140 LEU H H 140 7.175 7.175 7.468 -0.293 19108 24215 1 27 . 1 1 141 141 GLN N N 141 117.550 117.550 117.237 0.313 19108 24216 1 27 . 1 1 141 141 GLN HA H 141 3.719 3.719 4.019 -0.300 19108 24217 1 27 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.913 1.138 19108 24218 1 27 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.297 -0.703 19108 24219 1 27 . 1 1 141 141 GLN H H 141 8.322 8.322 7.713 0.609 19108 24220 1 27 . 1 1 142 142 MET N N 142 118.520 118.520 120.614 -2.094 19108 24221 1 27 . 1 1 142 142 MET HA H 142 4.135 4.135 4.155 -0.020 19108 24222 1 27 . 1 1 142 142 MET CA C 142 59.051 59.051 58.724 0.327 19108 24223 1 27 . 1 1 142 142 MET CB C 142 33.170 33.170 32.508 0.662 19108 24224 1 27 . 1 1 142 142 MET H H 142 8.241 8.241 8.056 0.185 19108 24225 1 27 . 1 1 143 143 LEU N N 143 118.659 118.659 119.030 -0.371 19108 24226 1 27 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.028 0.264 19108 24227 1 27 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.519 0.596 19108 24228 1 27 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.628 -0.251 19108 24229 1 27 . 1 1 143 143 LEU H H 143 7.932 7.932 8.345 -0.413 19108 24230 1 27 . 1 1 144 144 ARG N N 144 121.294 121.294 120.605 0.689 19108 24231 1 27 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.846 0.580 19108 24232 1 27 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.482 -0.493 19108 24233 1 27 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.898 -1.790 19108 24234 1 27 . 1 1 144 144 ARG H H 144 7.968 7.968 7.646 0.322 19108 24235 1 27 . 1 1 145 145 ASP N N 145 122.553 122.553 117.550 5.003 19108 24236 1 27 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.492 -0.063 19108 24237 1 27 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.291 0.286 19108 24238 1 27 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.925 -1.335 19108 24239 1 27 . 1 1 145 145 ASP H H 145 8.868 8.868 7.708 1.160 19108 24240 1 27 . 1 1 146 146 ALA N N 146 120.102 120.102 120.261 -0.159 19108 24241 1 27 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.255 0.163 19108 24242 1 27 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.800 -0.766 19108 24243 1 27 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.951 -0.656 19108 24244 1 27 . 1 1 146 146 ALA H H 146 7.737 7.737 8.058 -0.321 19108 24245 1 27 . 1 1 147 147 GLY N N 147 105.039 105.039 106.054 -1.015 19108 24246 1 27 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.779 0.085 19108 24247 1 27 . 1 1 147 147 GLY H H 147 7.966 7.966 7.845 0.121 19108 24248 1 27 . 1 1 148 148 ALA N N 148 124.181 124.181 123.728 0.453 19108 24249 1 27 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.253 0.436 19108 24250 1 27 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.376 -0.916 19108 24251 1 27 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.836 -1.357 19108 24252 1 27 . 1 1 148 148 ALA H H 148 8.051 8.051 7.540 0.511 19108 24253 1 27 . 1 1 149 149 GLN N N 149 122.185 122.185 119.105 3.080 19108 24254 1 27 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.563 -0.124 19108 24255 1 27 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.803 0.152 19108 24256 1 27 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.943 -1.522 19108 24257 1 27 . 1 1 149 149 GLN H H 149 7.953 7.953 7.877 0.076 19108 24258 1 27 . 1 1 150 150 VAL N N 150 127.399 127.399 123.397 4.002 19108 24259 1 27 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.717 0.035 19108 24260 1 27 . 1 1 150 150 VAL CA C 150 61.439 61.439 61.472 -0.033 19108 24261 1 27 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.341 -0.163 19108 24262 1 27 . 1 1 150 150 VAL H H 150 8.658 8.658 8.414 0.244 19108 24263 1 27 . 1 1 151 151 SER N N 151 120.616 120.616 120.803 -0.187 19108 24264 1 27 . 1 1 151 151 SER HA H 151 5.179 5.179 4.790 0.389 19108 24265 1 27 . 1 1 151 151 SER CA C 151 56.981 56.981 56.278 0.703 19108 24266 1 27 . 1 1 151 151 SER CB C 151 66.538 66.538 65.270 1.268 19108 24267 1 27 . 1 1 151 151 SER H H 151 8.737 8.737 8.115 0.622 19108 24268 1 27 . 1 1 152 152 ILE N N 152 123.180 123.180 123.338 -0.158 19108 24269 1 27 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.587 0.560 19108 24270 1 27 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.546 -4.028 19108 24271 1 27 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.596 -1.516 19108 24272 1 27 . 1 1 152 152 ILE H H 152 8.672 8.672 8.611 0.061 19108 24273 1 27 . 1 1 153 153 MET N N 153 123.477 123.477 128.476 -4.999 19108 24274 1 27 . 1 1 153 153 MET HA H 153 3.886 3.886 4.333 -0.447 19108 24275 1 27 . 1 1 153 153 MET CA C 153 59.053 59.053 56.823 2.230 19108 24276 1 27 . 1 1 153 153 MET CB C 153 34.793 34.793 33.013 1.780 19108 24277 1 27 . 1 1 153 153 MET H H 153 8.314 8.314 8.470 -0.156 19108 24278 1 27 . 1 1 154 154 THR N N 154 117.621 117.621 117.390 0.231 19108 24279 1 27 . 1 1 154 154 THR HA H 154 4.951 4.951 4.771 0.180 19108 24280 1 27 . 1 1 154 154 THR CA C 154 60.436 60.436 60.008 0.428 19108 24281 1 27 . 1 1 154 154 THR CB C 154 72.370 72.370 71.403 0.967 19108 24282 1 27 . 1 1 154 154 THR H H 154 9.630 9.630 8.035 1.595 19108 24283 1 27 . 1 1 155 155 TYR N N 155 121.751 121.751 123.851 -2.100 19108 24284 1 27 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.074 0.025 19108 24285 1 27 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.730 1.709 19108 24286 1 27 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.296 0.990 19108 24287 1 27 . 1 1 155 155 TYR H H 155 9.769 9.769 9.110 0.659 19108 24288 1 27 . 1 1 156 156 ASP N N 156 115.555 115.555 118.090 -2.535 19108 24289 1 27 . 1 1 156 156 ASP HA H 156 4.108 4.108 4.395 -0.287 19108 24290 1 27 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.528 -0.268 19108 24291 1 27 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.152 0.466 19108 24292 1 27 . 1 1 156 156 ASP H H 156 8.230 8.230 8.825 -0.595 19108 24293 1 27 . 1 1 157 157 GLU N N 157 117.678 117.678 119.748 -2.070 19108 24294 1 27 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.097 -0.227 19108 24295 1 27 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.397 1.110 19108 24296 1 27 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.005 2.043 19108 24297 1 27 . 1 1 157 157 GLU H H 157 7.470 7.470 8.469 -0.999 19108 24298 1 27 . 1 1 158 158 PHE N N 158 119.869 119.869 118.795 1.074 19108 24299 1 27 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.818 0.011 19108 24300 1 27 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.398 1.378 19108 24301 1 27 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.352 1.555 19108 24302 1 27 . 1 1 158 158 PHE H H 158 8.077 8.077 8.707 -0.630 19108 24303 1 27 . 1 1 159 159 LYS N N 159 118.859 118.859 119.010 -0.151 19108 24304 1 27 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.720 0.197 19108 24305 1 27 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.415 -0.184 19108 24306 1 27 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.326 -0.363 19108 24307 1 27 . 1 1 159 159 LYS H H 159 8.273 8.273 7.350 0.923 19108 24308 1 27 . 1 1 160 160 HIS N N 160 115.889 115.889 120.247 -4.358 19108 24309 1 27 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.226 -0.067 19108 24310 1 27 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.909 1.072 19108 24311 1 27 . 1 1 160 160 HIS CB C 160 27.930 27.930 28.910 -0.980 19108 24312 1 27 . 1 1 160 160 HIS H H 160 7.695 7.695 7.712 -0.017 19108 24313 1 27 . 1 1 161 161 CYS N N 161 118.188 118.188 117.344 0.844 19108 24314 1 27 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.209 0.580 19108 24315 1 27 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.052 0.742 19108 24316 1 27 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.762 1.124 19108 24317 1 27 . 1 1 161 161 CYS H H 161 7.885 7.885 8.041 -0.156 19108 24318 1 27 . 1 1 162 162 TRP N N 162 122.741 122.741 122.671 0.070 19108 24319 1 27 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.325 0.439 19108 24320 1 27 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.897 -0.180 19108 24321 1 27 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.583 0.010 19108 24322 1 27 . 1 1 162 162 TRP H H 162 8.040 8.040 7.661 0.379 19108 24323 1 27 . 1 1 163 163 ASP N N 163 113.796 113.796 119.309 -5.513 19108 24324 1 27 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.709 0.417 19108 24325 1 27 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.010 0.919 19108 24326 1 27 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.320 1.215 19108 24327 1 27 . 1 1 163 163 ASP H H 163 8.319 8.319 8.028 0.291 19108 24328 1 27 . 1 1 164 164 THR N N 164 112.008 112.008 116.252 -4.244 19108 24329 1 27 . 1 1 164 164 THR HA H 164 3.803 3.803 3.838 -0.035 19108 24330 1 27 . 1 1 164 164 THR CA C 164 65.164 65.164 65.968 -0.804 19108 24331 1 27 . 1 1 164 164 THR CB C 164 70.171 70.171 68.502 1.669 19108 24332 1 27 . 1 1 164 164 THR H H 164 7.494 7.494 7.758 -0.264 19108 24333 1 27 . 1 1 165 165 PHE N N 165 115.079 115.079 116.292 -1.213 19108 24334 1 27 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.620 -0.085 19108 24335 1 27 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.250 0.719 19108 24336 1 27 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.317 0.051 19108 24337 1 27 . 1 1 165 165 PHE H H 165 8.235 8.235 7.300 0.935 19108 24338 1 27 . 1 1 166 166 VAL N N 166 118.432 118.432 118.776 -0.344 19108 24339 1 27 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.329 -0.304 19108 24340 1 27 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.852 0.149 19108 24341 1 27 . 1 1 166 166 VAL CB C 166 31.355 31.355 35.272 -3.917 19108 24342 1 27 . 1 1 166 166 VAL H H 166 6.838 6.838 7.885 -1.047 19108 24343 1 27 . 1 1 167 167 ASP N N 167 126.263 126.263 128.387 -2.124 19108 24344 1 27 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.336 -0.488 19108 24345 1 27 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.981 -2.351 19108 24346 1 27 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.697 -1.617 19108 24347 1 27 . 1 1 167 167 ASP H H 167 8.498 8.498 8.483 0.015 19108 24348 1 27 . 1 1 168 168 HIS N N 168 119.890 119.890 117.158 2.732 19108 24349 1 27 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.145 0.201 19108 24350 1 27 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.604 -1.029 19108 24351 1 27 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.391 3.071 19108 24352 1 27 . 1 1 168 168 HIS H H 168 6.977 6.977 7.841 -0.864 19108 24353 1 27 . 1 1 169 169 GLN N N 169 119.254 119.254 116.689 2.565 19108 24354 1 27 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.903 -0.180 19108 24355 1 27 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.507 0.264 19108 24356 1 27 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.243 -0.722 19108 24357 1 27 . 1 1 169 169 GLN H H 169 9.126 9.126 7.358 1.768 19108 24358 1 27 . 1 1 170 170 GLY N N 170 111.911 111.911 102.435 9.476 19108 24359 1 27 . 1 1 170 170 GLY CA C 170 44.824 44.824 45.268 -0.444 19108 24360 1 27 . 1 1 170 170 GLY H H 170 11.556 11.556 8.825 2.731 19108 24361 1 27 . 1 1 171 171 CYS N N 171 123.390 123.390 121.348 2.042 19108 24362 1 27 . 1 1 171 171 CYS HA H 171 4.716 4.716 5.054 -0.338 19108 24363 1 27 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.574 2.211 19108 24364 1 27 . 1 1 171 171 CYS CB C 171 27.904 27.904 27.409 0.495 19108 24365 1 27 . 1 1 171 171 CYS H H 171 8.044 8.044 8.272 -0.228 19108 24366 1 27 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.637 -0.019 19108 24367 1 27 . 1 1 172 172 PRO CA C 172 61.858 61.858 61.818 0.040 19108 24368 1 27 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.405 0.124 19108 24369 1 27 . 1 1 173 173 PHE N N 173 121.101 121.101 122.236 -1.135 19108 24370 1 27 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.432 -0.776 19108 24371 1 27 . 1 1 173 173 PHE CA C 173 57.541 57.541 59.221 -1.680 19108 24372 1 27 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.355 -0.609 19108 24373 1 27 . 1 1 173 173 PHE H H 173 8.842 8.842 8.329 0.513 19108 24374 1 27 . 1 1 174 174 GLN N N 174 129.493 129.493 123.458 6.035 19108 24375 1 27 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.269 0.048 19108 24376 1 27 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.165 -1.370 19108 24377 1 27 . 1 1 174 174 GLN CB C 174 29.097 29.097 30.504 -1.407 19108 24378 1 27 . 1 1 174 174 GLN H H 174 7.250 7.250 6.608 0.642 19108 24379 1 27 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.946 -1.032 19108 24380 1 27 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.669 -0.246 19108 24381 1 27 . 1 1 176 176 TRP N N 176 118.133 118.133 124.621 -6.488 19108 24382 1 27 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.776 -0.143 19108 24383 1 27 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.449 0.713 19108 24384 1 27 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.254 -0.365 19108 24385 1 27 . 1 1 176 176 TRP H H 176 5.591 5.591 6.874 -1.283 19108 24386 1 27 . 1 1 177 177 ASP N N 177 121.814 121.814 122.085 -0.271 19108 24387 1 27 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.693 -0.296 19108 24388 1 27 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.360 1.812 19108 24389 1 27 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.281 1.394 19108 24390 1 27 . 1 1 177 177 ASP H H 177 8.848 8.848 8.538 0.310 19108 24391 1 27 . 1 1 178 178 GLY N N 178 111.875 111.875 109.920 1.955 19108 24392 1 27 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.341 0.325 19108 24393 1 27 . 1 1 178 178 GLY H H 178 8.987 8.987 8.196 0.791 19108 24394 1 27 . 1 1 179 179 LEU N N 179 121.470 121.470 122.459 -0.989 19108 24395 1 27 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.456 0.032 19108 24396 1 27 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.302 2.480 19108 24397 1 27 . 1 1 179 179 LEU CB C 179 42.229 42.229 42.046 0.183 19108 24398 1 27 . 1 1 179 179 LEU H H 179 7.148 7.148 7.851 -0.703 19108 24399 1 27 . 1 1 180 180 ASP N N 180 119.476 119.476 119.419 0.057 19108 24400 1 27 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.472 0.020 19108 24401 1 27 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.033 -0.094 19108 24402 1 27 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.552 0.161 19108 24403 1 27 . 1 1 180 180 ASP H H 180 8.874 8.874 8.623 0.251 19108 24404 1 27 . 1 1 181 181 GLU N N 181 122.379 122.379 119.643 2.736 19108 24405 1 27 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.967 0.045 19108 24406 1 27 . 1 1 181 181 GLU CA C 181 59.969 59.969 60.111 -0.142 19108 24407 1 27 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.491 -0.565 19108 24408 1 27 . 1 1 181 181 GLU H H 181 8.712 8.712 8.727 -0.015 19108 24409 1 27 . 1 1 182 182 HIS N N 182 118.572 118.572 117.642 0.930 19108 24410 1 27 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.346 0.408 19108 24411 1 27 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.790 -0.761 19108 24412 1 27 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.719 -0.871 19108 24413 1 27 . 1 1 182 182 HIS H H 182 8.854 8.854 8.698 0.156 19108 24414 1 27 . 1 1 183 183 SER N N 183 116.329 116.329 114.609 1.720 19108 24415 1 27 . 1 1 183 183 SER HA H 183 4.554 4.554 4.170 0.384 19108 24416 1 27 . 1 1 183 183 SER CA C 183 63.604 63.604 62.008 1.596 19108 24417 1 27 . 1 1 183 183 SER CB C 183 65.216 65.216 63.090 2.126 19108 24418 1 27 . 1 1 183 183 SER H H 183 8.665 8.665 8.042 0.623 19108 24419 1 27 . 1 1 184 184 GLN N N 184 122.215 122.215 119.541 2.674 19108 24420 1 27 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.005 0.242 19108 24421 1 27 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.809 0.151 19108 24422 1 27 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.603 0.332 19108 24423 1 27 . 1 1 184 184 GLN H H 184 8.714 8.714 8.462 0.252 19108 24424 1 27 . 1 1 185 185 ALA N N 185 124.432 124.432 123.397 1.035 19108 24425 1 27 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.089 0.195 19108 24426 1 27 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.004 0.465 19108 24427 1 27 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.331 0.043 19108 24428 1 27 . 1 1 185 185 ALA H H 185 8.258 8.258 7.924 0.334 19108 24429 1 27 . 1 1 186 186 LEU N N 186 119.941 119.941 119.365 0.576 19108 24430 1 27 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.947 0.265 19108 24431 1 27 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.076 0.140 19108 24432 1 27 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.338 1.426 19108 24433 1 27 . 1 1 186 186 LEU H H 186 8.953 8.953 8.196 0.757 19108 24434 1 27 . 1 1 187 187 SER N N 187 116.987 116.987 113.695 3.292 19108 24435 1 27 . 1 1 187 187 SER HA H 187 4.039 4.039 4.016 0.023 19108 24436 1 27 . 1 1 187 187 SER CA C 187 63.302 63.302 61.598 1.704 19108 24437 1 27 . 1 1 187 187 SER CB C 187 62.760 62.760 62.903 -0.143 19108 24438 1 27 . 1 1 187 187 SER H H 187 8.935 8.935 8.640 0.295 19108 24439 1 27 . 1 1 188 188 GLY N N 188 110.215 110.215 109.177 1.038 19108 24440 1 27 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.808 0.346 19108 24441 1 27 . 1 1 188 188 GLY H H 188 8.228 8.228 7.748 0.480 19108 24442 1 27 . 1 1 189 189 ARG N N 189 122.994 122.994 122.453 0.541 19108 24443 1 27 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.009 0.228 19108 24444 1 27 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.157 0.402 19108 24445 1 27 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.800 0.595 19108 24446 1 27 . 1 1 189 189 ARG H H 189 7.838 7.838 7.750 0.088 19108 24447 1 27 . 1 1 190 190 LEU N N 190 119.765 119.765 120.714 -0.949 19108 24448 1 27 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.030 0.208 19108 24449 1 27 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.316 -0.097 19108 24450 1 27 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.896 -0.654 19108 24451 1 27 . 1 1 190 190 LEU H H 190 8.791 8.791 7.890 0.901 19108 24452 1 27 . 1 1 191 191 ARG N N 191 118.427 118.427 118.925 -0.498 19108 24453 1 27 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.779 0.264 19108 24454 1 27 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.640 0.142 19108 24455 1 27 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.152 0.039 19108 24456 1 27 . 1 1 191 191 ARG H H 191 8.305 8.305 7.943 0.362 19108 24457 1 27 . 1 1 192 192 ALA N N 192 119.414 119.414 120.934 -1.520 19108 24458 1 27 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.049 0.168 19108 24459 1 27 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.927 -0.211 19108 24460 1 27 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.592 -0.427 19108 24461 1 27 . 1 1 192 192 ALA H H 192 7.414 7.414 7.410 0.004 19108 24462 1 27 . 1 1 193 193 ILE N N 193 118.949 118.949 118.260 0.689 19108 24463 1 27 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.741 0.029 19108 24464 1 27 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.405 0.433 19108 24465 1 27 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.282 1.164 19108 24466 1 27 . 1 1 193 193 ILE H H 193 7.896 7.896 7.581 0.315 19108 24467 1 27 . 1 1 194 194 LEU N N 194 116.435 116.435 118.046 -1.611 19108 24468 1 27 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.088 0.185 19108 24469 1 27 . 1 1 194 194 LEU CA C 194 55.713 55.713 56.350 -0.637 19108 24470 1 27 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.842 -2.371 19108 24471 1 27 . 1 1 194 194 LEU H H 194 8.296 8.296 8.224 0.072 19108 24472 1 27 . 1 1 195 195 GLN N N 195 118.580 118.580 117.334 1.246 19108 24473 1 27 . 1 1 195 195 GLN HA H 195 4.335 4.335 3.983 0.352 19108 24474 1 27 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.897 -0.480 19108 24475 1 27 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.991 1.607 19108 24476 1 27 . 1 1 195 195 GLN H H 195 7.921 7.921 7.909 0.012 19108 24477 1 27 . 1 1 196 196 ASN N N 196 118.941 118.941 121.514 -2.573 19108 24478 1 27 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.900 -0.198 19108 24479 1 27 . 1 1 196 196 ASN CA C 196 53.450 53.450 52.722 0.728 19108 24480 1 27 . 1 1 196 196 ASN CB C 196 38.825 38.825 40.289 -1.464 19108 24481 1 27 . 1 1 196 196 ASN H H 196 8.078 8.078 8.395 -0.317 19108 24482 1 27 . 1 1 197 197 GLN N N 197 120.984 120.984 117.531 3.453 19108 24483 1 27 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.404 -0.048 19108 24484 1 27 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.885 0.281 19108 24485 1 27 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.386 -0.890 19108 24486 1 27 . 1 1 197 197 GLN H H 197 8.526 8.526 8.544 -0.018 19108 24487 1 27 . 1 1 198 198 GLY N N 198 109.565 109.565 108.992 0.573 19108 24488 1 27 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.017 0.367 19108 24489 1 27 . 1 1 198 198 GLY H H 198 8.467 8.467 8.217 0.250 19108 24490 1 28 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.303 0.071 19108 24491 1 28 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.562 -0.214 19108 24492 1 28 . 1 1 2 2 GLU CB C 2 30.453 30.453 29.769 0.684 19108 24493 1 28 . 1 1 3 3 ALA N N 3 125.932 125.932 127.914 -1.982 19108 24494 1 28 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.447 -0.097 19108 24495 1 28 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.709 0.698 19108 24496 1 28 . 1 1 3 3 ALA CB C 3 19.580 19.580 18.999 0.581 19108 24497 1 28 . 1 1 3 3 ALA H H 3 8.526 8.526 8.469 0.057 19108 24498 1 28 . 1 1 4 4 SER N N 4 116.729 116.729 114.323 2.406 19108 24499 1 28 . 1 1 4 4 SER HA H 4 4.766 4.766 4.288 0.478 19108 24500 1 28 . 1 1 4 4 SER CA C 4 56.283 56.283 58.142 -1.859 19108 24501 1 28 . 1 1 4 4 SER CB C 4 63.278 63.278 62.564 0.714 19108 24502 1 28 . 1 1 4 4 SER H H 4 8.397 8.397 7.915 0.482 19108 24503 1 28 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.429 0.017 19108 24504 1 28 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.498 -0.192 19108 24505 1 28 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.666 0.431 19108 24506 1 28 . 1 1 6 6 ALA N N 6 124.236 124.236 126.857 -2.621 19108 24507 1 28 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.068 0.265 19108 24508 1 28 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.867 -0.304 19108 24509 1 28 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.787 0.547 19108 24510 1 28 . 1 1 6 6 ALA H H 6 8.411 8.411 8.127 0.284 19108 24511 1 28 . 1 1 7 7 SER N N 7 114.497 114.497 116.119 -1.622 19108 24512 1 28 . 1 1 7 7 SER HA H 7 4.475 4.475 4.447 0.028 19108 24513 1 28 . 1 1 7 7 SER CA C 7 58.258 58.258 59.208 -0.950 19108 24514 1 28 . 1 1 7 7 SER CB C 7 64.174 64.174 64.247 -0.073 19108 24515 1 28 . 1 1 7 7 SER H H 7 8.195 8.195 8.586 -0.391 19108 24516 1 28 . 1 1 8 8 GLY N N 8 110.497 110.497 110.942 -0.445 19108 24517 1 28 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.417 0.429 19108 24518 1 28 . 1 1 8 8 GLY H H 8 8.226 8.226 7.921 0.305 19108 24519 1 28 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.320 0.129 19108 24520 1 28 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.429 0.005 19108 24521 1 28 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.682 0.511 19108 24522 1 28 . 1 1 10 10 ARG N N 10 120.534 120.534 122.002 -1.468 19108 24523 1 28 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.545 -0.204 19108 24524 1 28 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.745 0.271 19108 24525 1 28 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.611 -0.802 19108 24526 1 28 . 1 1 10 10 ARG H H 10 8.469 8.469 8.496 -0.027 19108 24527 1 28 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.293 0.532 19108 24528 1 28 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.626 -0.165 19108 24529 1 28 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.800 0.391 19108 24530 1 28 . 1 1 12 12 LEU N N 12 122.284 122.284 124.273 -1.989 19108 24531 1 28 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.940 -0.331 19108 24532 1 28 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.239 1.791 19108 24533 1 28 . 1 1 12 12 LEU H H 12 8.250 8.250 8.548 -0.298 19108 24534 1 28 . 1 1 13 13 MET N N 13 121.493 121.493 121.119 0.374 19108 24535 1 28 . 1 1 13 13 MET HA H 13 4.038 4.038 4.357 -0.319 19108 24536 1 28 . 1 1 13 13 MET CA C 13 54.449 54.449 56.169 -1.720 19108 24537 1 28 . 1 1 13 13 MET CB C 13 35.015 35.015 33.474 1.541 19108 24538 1 28 . 1 1 13 13 MET H H 13 8.955 8.955 8.201 0.754 19108 24539 1 28 . 1 1 14 14 ASP N N 14 127.113 127.113 126.027 1.086 19108 24540 1 28 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.636 -0.536 19108 24541 1 28 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.642 -2.186 19108 24542 1 28 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.893 0.617 19108 24543 1 28 . 1 1 14 14 ASP H H 14 8.514 8.514 8.551 -0.037 19108 24544 1 28 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.216 -0.363 19108 24545 1 28 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.618 0.036 19108 24546 1 28 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.122 -0.471 19108 24547 1 28 . 1 1 16 16 HIS N N 16 115.776 115.776 116.376 -0.600 19108 24548 1 28 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.337 -0.059 19108 24549 1 28 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.240 -1.323 19108 24550 1 28 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.826 -0.618 19108 24551 1 28 . 1 1 16 16 HIS H H 16 8.591 8.591 8.635 -0.044 19108 24552 1 28 . 1 1 17 17 ILE N N 17 122.675 122.675 118.583 4.092 19108 24553 1 28 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.766 -0.282 19108 24554 1 28 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.686 -1.460 19108 24555 1 28 . 1 1 17 17 ILE CB C 17 36.097 36.097 37.086 -0.989 19108 24556 1 28 . 1 1 17 17 ILE H H 17 7.558 7.558 8.213 -0.655 19108 24557 1 28 . 1 1 18 18 PHE N N 18 120.513 120.513 120.661 -0.148 19108 24558 1 28 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.221 -0.218 19108 24559 1 28 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.853 0.951 19108 24560 1 28 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.364 0.276 19108 24561 1 28 . 1 1 18 18 PHE H H 18 7.831 7.831 8.771 -0.940 19108 24562 1 28 . 1 1 19 19 THR N N 19 114.555 114.555 115.643 -1.088 19108 24563 1 28 . 1 1 19 19 THR HA H 19 3.657 3.657 4.187 -0.530 19108 24564 1 28 . 1 1 19 19 THR CA C 19 66.485 66.485 66.346 0.139 19108 24565 1 28 . 1 1 19 19 THR CB C 19 68.345 68.345 68.206 0.139 19108 24566 1 28 . 1 1 19 19 THR H H 19 9.036 9.036 8.681 0.355 19108 24567 1 28 . 1 1 20 20 SER N N 20 113.030 113.030 117.332 -4.302 19108 24568 1 28 . 1 1 20 20 SER HA H 20 4.062 4.062 3.926 0.136 19108 24569 1 28 . 1 1 20 20 SER CA C 20 60.610 60.610 61.611 -1.001 19108 24570 1 28 . 1 1 20 20 SER CB C 20 63.843 63.843 62.828 1.015 19108 24571 1 28 . 1 1 20 20 SER H H 20 7.809 7.809 8.321 -0.512 19108 24572 1 28 . 1 1 21 21 ASN N N 21 115.629 115.629 119.797 -4.168 19108 24573 1 28 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.238 0.173 19108 24574 1 28 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.778 1.211 19108 24575 1 28 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.292 3.288 19108 24576 1 28 . 1 1 21 21 ASN H H 21 7.362 7.362 7.819 -0.457 19108 24577 1 28 . 1 1 22 22 PHE N N 22 117.773 117.773 115.859 1.914 19108 24578 1 28 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.556 -0.283 19108 24579 1 28 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.280 -0.820 19108 24580 1 28 . 1 1 22 22 PHE CB C 22 37.830 37.830 38.654 -0.824 19108 24581 1 28 . 1 1 22 22 PHE H H 22 8.296 8.296 7.908 0.388 19108 24582 1 28 . 1 1 23 23 ASN N N 23 115.026 115.026 121.254 -6.228 19108 24583 1 28 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.280 0.249 19108 24584 1 28 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.673 -0.032 19108 24585 1 28 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.925 -2.302 19108 24586 1 28 . 1 1 23 23 ASN H H 23 6.097 6.097 7.917 -1.820 19108 24587 1 28 . 1 1 24 24 ASN N N 24 122.900 122.900 122.468 0.432 19108 24588 1 28 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.413 0.020 19108 24589 1 28 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.628 -1.355 19108 24590 1 28 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.744 0.148 19108 24591 1 28 . 1 1 24 24 ASN H H 24 7.083 7.083 8.488 -1.405 19108 24592 1 28 . 1 1 25 25 GLY N N 25 105.587 105.587 112.115 -6.528 19108 24593 1 28 . 1 1 25 25 GLY CA C 25 44.865 44.865 44.692 0.173 19108 24594 1 28 . 1 1 25 25 GLY H H 25 8.520 8.520 7.918 0.602 19108 24595 1 28 . 1 1 26 26 ILE N N 26 120.182 120.182 118.501 1.681 19108 24596 1 28 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.405 -0.231 19108 24597 1 28 . 1 1 26 26 ILE CA C 26 60.443 60.443 57.925 2.518 19108 24598 1 28 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.995 0.520 19108 24599 1 28 . 1 1 26 26 ILE H H 26 6.944 6.944 7.605 -0.661 19108 24600 1 28 . 1 1 27 27 GLY N N 27 111.665 111.665 104.794 6.871 19108 24601 1 28 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.116 0.203 19108 24602 1 28 . 1 1 27 27 GLY H H 27 8.457 8.457 8.236 0.221 19108 24603 1 28 . 1 1 28 28 ARG N N 28 117.565 117.565 119.522 -1.957 19108 24604 1 28 . 1 1 28 28 ARG CA C 28 53.565 53.565 53.968 -0.403 19108 24605 1 28 . 1 1 28 28 ARG H H 28 6.741 6.741 7.987 -1.246 19108 24606 1 28 . 1 1 29 29 HIS CA C 29 58.003 58.003 55.847 2.156 19108 24607 1 28 . 1 1 29 29 HIS CB C 29 29.044 29.044 27.824 1.220 19108 24608 1 28 . 1 1 29 29 HIS H H 29 8.636 8.636 8.112 0.524 19108 24609 1 28 . 1 1 30 30 LYS N N 30 119.344 119.344 123.915 -4.571 19108 24610 1 28 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.456 -0.035 19108 24611 1 28 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.825 1.039 19108 24612 1 28 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.835 1.356 19108 24613 1 28 . 1 1 30 30 LYS H H 30 7.870 7.870 7.768 0.102 19108 24614 1 28 . 1 1 31 31 THR N N 31 118.233 118.233 113.541 4.692 19108 24615 1 28 . 1 1 31 31 THR HA H 31 4.125 4.125 3.694 0.431 19108 24616 1 28 . 1 1 31 31 THR CA C 31 63.175 63.175 62.579 0.596 19108 24617 1 28 . 1 1 31 31 THR H H 31 8.436 8.436 7.191 1.245 19108 24618 1 28 . 1 1 32 32 TYR N N 32 124.026 124.026 121.319 2.707 19108 24619 1 28 . 1 1 32 32 TYR HA H 32 4.936 4.936 5.096 -0.160 19108 24620 1 28 . 1 1 32 32 TYR CA C 32 57.501 57.501 56.843 0.658 19108 24621 1 28 . 1 1 32 32 TYR CB C 32 44.404 44.404 43.204 1.200 19108 24622 1 28 . 1 1 32 32 TYR H H 32 8.244 8.244 8.842 -0.598 19108 24623 1 28 . 1 1 33 33 LEU N N 33 125.428 125.428 124.690 0.738 19108 24624 1 28 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.422 -0.343 19108 24625 1 28 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.172 1.666 19108 24626 1 28 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.617 1.367 19108 24627 1 28 . 1 1 33 33 LEU H H 33 9.232 9.232 8.312 0.920 19108 24628 1 28 . 1 1 34 34 CYS N N 34 125.975 125.975 127.241 -1.266 19108 24629 1 28 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.099 -0.093 19108 24630 1 28 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.826 1.319 19108 24631 1 28 . 1 1 34 34 CYS CB C 34 28.302 28.302 29.014 -0.712 19108 24632 1 28 . 1 1 34 34 CYS H H 34 9.640 9.640 8.815 0.825 19108 24633 1 28 . 1 1 35 35 TYR N N 35 121.183 121.183 125.637 -4.454 19108 24634 1 28 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.590 0.898 19108 24635 1 28 . 1 1 35 35 TYR CA C 35 54.782 54.782 54.804 -0.022 19108 24636 1 28 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.931 2.159 19108 24637 1 28 . 1 1 35 35 TYR H H 35 9.094 9.094 8.834 0.260 19108 24638 1 28 . 1 1 36 36 GLU N N 36 115.538 115.538 122.380 -6.842 19108 24639 1 28 . 1 1 36 36 GLU HA H 36 5.435 5.435 5.069 0.366 19108 24640 1 28 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.057 0.334 19108 24641 1 28 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.653 -0.109 19108 24642 1 28 . 1 1 36 36 GLU H H 36 8.977 8.977 8.663 0.314 19108 24643 1 28 . 1 1 37 37 VAL N N 37 121.600 121.600 126.233 -4.633 19108 24644 1 28 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.718 0.441 19108 24645 1 28 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.910 1.138 19108 24646 1 28 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.775 1.295 19108 24647 1 28 . 1 1 37 37 VAL H H 37 9.271 9.271 9.199 0.072 19108 24648 1 28 . 1 1 38 38 GLU N N 38 125.227 125.227 127.340 -2.113 19108 24649 1 28 . 1 1 38 38 GLU HA H 38 5.218 5.218 4.900 0.318 19108 24650 1 28 . 1 1 38 38 GLU CA C 38 54.252 54.252 55.359 -1.107 19108 24651 1 28 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.574 1.353 19108 24652 1 28 . 1 1 38 38 GLU H H 38 9.114 9.114 8.722 0.392 19108 24653 1 28 . 1 1 39 39 ARG N N 39 124.872 124.872 125.352 -0.480 19108 24654 1 28 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.490 0.875 19108 24655 1 28 . 1 1 39 39 ARG CA C 39 55.247 55.247 54.893 0.354 19108 24656 1 28 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.425 0.140 19108 24657 1 28 . 1 1 39 39 ARG H H 39 9.215 9.215 8.279 0.936 19108 24658 1 28 . 1 1 40 40 LEU N N 40 126.510 126.510 125.347 1.163 19108 24659 1 28 . 1 1 40 40 LEU HA H 40 4.753 4.753 5.051 -0.298 19108 24660 1 28 . 1 1 40 40 LEU CA C 40 54.323 54.323 53.938 0.385 19108 24661 1 28 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.778 -2.934 19108 24662 1 28 . 1 1 40 40 LEU H H 40 8.659 8.659 7.769 0.890 19108 24663 1 28 . 1 1 41 41 ASP N N 41 124.410 124.410 121.690 2.720 19108 24664 1 28 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.780 0.013 19108 24665 1 28 . 1 1 41 41 ASP CA C 41 53.218 53.218 54.057 -0.839 19108 24666 1 28 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.989 -1.256 19108 24667 1 28 . 1 1 41 41 ASP H H 41 8.575 8.575 8.356 0.219 19108 24668 1 28 . 1 1 42 42 ASN N N 42 123.319 123.319 122.102 1.217 19108 24669 1 28 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.362 0.058 19108 24670 1 28 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.925 0.248 19108 24671 1 28 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.390 -0.543 19108 24672 1 28 . 1 1 42 42 ASN H H 42 9.048 9.048 8.931 0.117 19108 24673 1 28 . 1 1 43 43 GLY N N 43 106.044 106.044 104.196 1.848 19108 24674 1 28 . 1 1 43 43 GLY CA C 43 45.394 45.394 44.871 0.523 19108 24675 1 28 . 1 1 43 43 GLY H H 43 8.548 8.548 8.148 0.400 19108 24676 1 28 . 1 1 44 44 THR N N 44 115.893 115.893 119.671 -3.778 19108 24677 1 28 . 1 1 44 44 THR HA H 44 4.524 4.524 4.290 0.234 19108 24678 1 28 . 1 1 44 44 THR CA C 44 61.285 61.285 63.837 -2.552 19108 24679 1 28 . 1 1 44 44 THR CB C 44 70.572 70.572 69.268 1.304 19108 24680 1 28 . 1 1 44 44 THR H H 44 7.833 7.833 8.052 -0.219 19108 24681 1 28 . 1 1 45 45 SER N N 45 119.589 119.589 122.782 -3.193 19108 24682 1 28 . 1 1 45 45 SER HA H 45 4.804 4.804 4.610 0.194 19108 24683 1 28 . 1 1 45 45 SER CA C 45 58.080 58.080 57.739 0.341 19108 24684 1 28 . 1 1 45 45 SER CB C 45 64.265 64.265 63.808 0.457 19108 24685 1 28 . 1 1 45 45 SER H H 45 8.590 8.590 8.535 0.055 19108 24686 1 28 . 1 1 46 46 VAL N N 46 125.827 125.827 127.694 -1.867 19108 24687 1 28 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.294 -0.001 19108 24688 1 28 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.452 0.391 19108 24689 1 28 . 1 1 46 46 VAL CB C 46 33.517 33.517 33.265 0.252 19108 24690 1 28 . 1 1 46 46 VAL H H 46 9.034 9.034 8.567 0.467 19108 24691 1 28 . 1 1 47 47 LYS N N 47 126.528 126.528 125.978 0.550 19108 24692 1 28 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.422 -0.137 19108 24693 1 28 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.739 1.925 19108 24694 1 28 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.367 -0.575 19108 24695 1 28 . 1 1 47 47 LYS H H 47 8.738 8.738 8.337 0.401 19108 24696 1 28 . 1 1 48 48 MET N N 48 122.645 122.645 122.576 0.069 19108 24697 1 28 . 1 1 48 48 MET HA H 48 5.195 5.195 4.605 0.590 19108 24698 1 28 . 1 1 48 48 MET CA C 48 54.747 54.747 55.946 -1.199 19108 24699 1 28 . 1 1 48 48 MET CB C 48 32.379 32.379 33.626 -1.246 19108 24700 1 28 . 1 1 48 48 MET H H 48 8.334 8.334 8.157 0.177 19108 24701 1 28 . 1 1 49 49 ASP N N 49 123.713 123.713 120.259 3.454 19108 24702 1 28 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.589 -0.165 19108 24703 1 28 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.388 0.222 19108 24704 1 28 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.446 -0.412 19108 24705 1 28 . 1 1 49 49 ASP H H 49 8.575 8.575 8.838 -0.263 19108 24706 1 28 . 1 1 50 50 GLN N N 50 117.540 117.540 117.901 -0.361 19108 24707 1 28 . 1 1 50 50 GLN H H 50 9.110 9.110 8.317 0.793 19108 24708 1 28 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.745 0.406 19108 24709 1 28 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.669 -1.835 19108 24710 1 28 . 1 1 51 51 HIS H H 51 8.031 8.031 8.111 -0.080 19108 24711 1 28 . 1 1 52 52 ARG N N 52 117.888 117.888 120.577 -2.689 19108 24712 1 28 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.833 0.404 19108 24713 1 28 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.844 0.210 19108 24714 1 28 . 1 1 52 52 ARG CB C 52 33.054 33.054 31.888 1.166 19108 24715 1 28 . 1 1 52 52 ARG H H 52 7.685 7.685 7.373 0.312 19108 24716 1 28 . 1 1 53 53 GLY N N 53 108.573 108.573 109.615 -1.042 19108 24717 1 28 . 1 1 53 53 GLY CA C 53 45.708 45.708 44.822 0.887 19108 24718 1 28 . 1 1 53 53 GLY H H 53 7.529 7.529 7.655 -0.126 19108 24719 1 28 . 1 1 54 54 PHE N N 54 113.146 113.146 115.637 -2.491 19108 24720 1 28 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.728 0.267 19108 24721 1 28 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.449 0.407 19108 24722 1 28 . 1 1 54 54 PHE CB C 54 44.363 44.363 42.107 2.256 19108 24723 1 28 . 1 1 54 54 PHE H H 54 8.287 8.287 7.755 0.532 19108 24724 1 28 . 1 1 55 55 LEU N N 55 119.389 119.389 120.528 -1.139 19108 24725 1 28 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.938 -0.243 19108 24726 1 28 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.048 0.664 19108 24727 1 28 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.513 0.115 19108 24728 1 28 . 1 1 55 55 LEU H H 55 9.452 9.452 8.996 0.456 19108 24729 1 28 . 1 1 56 56 HIS N N 56 114.176 114.176 115.165 -0.989 19108 24730 1 28 . 1 1 56 56 HIS HA H 56 5.439 5.439 4.990 0.449 19108 24731 1 28 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.254 0.211 19108 24732 1 28 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.579 -0.113 19108 24733 1 28 . 1 1 56 56 HIS H H 56 7.709 7.709 8.069 -0.360 19108 24734 1 28 . 1 1 57 57 ASN N N 57 116.522 116.522 118.823 -2.301 19108 24735 1 28 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.403 0.012 19108 24736 1 28 . 1 1 57 57 ASN CA C 57 54.184 54.184 54.438 -0.254 19108 24737 1 28 . 1 1 57 57 ASN CB C 57 38.662 38.662 38.991 -0.329 19108 24738 1 28 . 1 1 57 57 ASN H H 57 8.684 8.684 8.113 0.571 19108 24739 1 28 . 1 1 58 58 GLN N N 58 122.850 122.850 121.852 0.998 19108 24740 1 28 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.405 -0.016 19108 24741 1 28 . 1 1 58 58 GLN CA C 58 54.853 54.853 55.613 -0.760 19108 24742 1 28 . 1 1 58 58 GLN CB C 58 30.382 30.382 30.683 -0.301 19108 24743 1 28 . 1 1 58 58 GLN H H 58 9.099 9.099 8.391 0.708 19108 24744 1 28 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.414 -0.114 19108 24745 1 28 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.030 0.474 19108 24746 1 28 . 1 1 59 59 ALA CB C 59 19.421 19.421 20.367 -0.947 19108 24747 1 28 . 1 1 60 60 LYS N N 60 119.998 119.998 122.049 -2.051 19108 24748 1 28 . 1 1 60 60 LYS HA H 60 3.776 3.776 3.796 -0.020 19108 24749 1 28 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.488 0.813 19108 24750 1 28 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.143 1.673 19108 24751 1 28 . 1 1 60 60 LYS H H 60 8.344 8.344 8.212 0.132 19108 24752 1 28 . 1 1 61 61 ASN N N 61 119.688 119.688 123.754 -4.066 19108 24753 1 28 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.792 -0.337 19108 24754 1 28 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.550 0.353 19108 24755 1 28 . 1 1 61 61 ASN CB C 61 38.537 38.537 40.383 -1.846 19108 24756 1 28 . 1 1 61 61 ASN H H 61 8.643 8.643 8.251 0.392 19108 24757 1 28 . 1 1 62 62 LEU N N 62 124.761 124.761 122.754 2.007 19108 24758 1 28 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.334 -0.400 19108 24759 1 28 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.083 1.162 19108 24760 1 28 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.392 -0.449 19108 24761 1 28 . 1 1 62 62 LEU H H 62 8.873 8.873 8.620 0.253 19108 24762 1 28 . 1 1 63 63 LEU N N 63 120.312 120.312 118.842 1.470 19108 24763 1 28 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.074 0.125 19108 24764 1 28 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.512 -0.435 19108 24765 1 28 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.751 -0.494 19108 24766 1 28 . 1 1 63 63 LEU H H 63 8.145 8.145 7.793 0.352 19108 24767 1 28 . 1 1 64 64 CYS N N 64 113.898 113.898 112.924 0.974 19108 24768 1 28 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.737 -0.566 19108 24769 1 28 . 1 1 64 64 CYS CA C 64 57.784 57.784 58.307 -0.523 19108 24770 1 28 . 1 1 64 64 CYS CB C 64 28.718 28.718 30.528 -1.810 19108 24771 1 28 . 1 1 64 64 CYS H H 64 7.376 7.376 7.686 -0.310 19108 24772 1 28 . 1 1 65 65 GLY N N 65 108.894 108.894 109.220 -0.326 19108 24773 1 28 . 1 1 65 65 GLY CA C 65 45.983 45.983 44.895 1.088 19108 24774 1 28 . 1 1 65 65 GLY H H 65 7.789 7.789 7.626 0.163 19108 24775 1 28 . 1 1 66 66 PHE N N 66 118.711 118.711 118.247 0.464 19108 24776 1 28 . 1 1 66 66 PHE HA H 66 3.917 3.917 3.922 -0.005 19108 24777 1 28 . 1 1 66 66 PHE CA C 66 55.940 55.940 61.272 -5.332 19108 24778 1 28 . 1 1 66 66 PHE CB C 66 40.268 40.268 38.167 2.101 19108 24779 1 28 . 1 1 66 66 PHE H H 66 7.699 7.699 7.953 -0.254 19108 24780 1 28 . 1 1 67 67 TYR N N 67 124.623 124.623 119.253 5.370 19108 24781 1 28 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.368 -0.068 19108 24782 1 28 . 1 1 67 67 TYR CA C 67 58.764 58.764 59.849 -1.085 19108 24783 1 28 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.690 -0.537 19108 24784 1 28 . 1 1 67 67 TYR H H 67 8.568 8.568 7.465 1.103 19108 24785 1 28 . 1 1 69 69 ARG N N 69 121.427 121.427 119.705 1.722 19108 24786 1 28 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.437 2.620 19108 24787 1 28 . 1 1 69 69 ARG CB C 69 32.296 32.296 33.378 -1.082 19108 24788 1 28 . 1 1 69 69 ARG H H 69 8.313 8.313 8.255 0.058 19108 24789 1 28 . 1 1 70 70 HIS N N 70 128.351 128.351 120.373 7.978 19108 24790 1 28 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.366 0.416 19108 24791 1 28 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.324 0.392 19108 24792 1 28 . 1 1 70 70 HIS CB C 70 31.776 31.776 29.822 1.954 19108 24793 1 28 . 1 1 70 70 HIS H H 70 9.182 9.182 8.408 0.774 19108 24794 1 28 . 1 1 71 71 ALA N N 71 125.649 125.649 128.166 -2.517 19108 24795 1 28 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.812 -0.455 19108 24796 1 28 . 1 1 71 71 ALA CA C 71 55.782 55.782 55.652 0.130 19108 24797 1 28 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.756 -0.746 19108 24798 1 28 . 1 1 71 71 ALA H H 71 8.968 8.968 8.476 0.492 19108 24799 1 28 . 1 1 72 72 GLU N N 72 119.941 119.941 117.736 2.205 19108 24800 1 28 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.727 -0.750 19108 24801 1 28 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.060 1.896 19108 24802 1 28 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.478 -1.472 19108 24803 1 28 . 1 1 72 72 GLU H H 72 12.692 12.692 8.473 4.219 19108 24804 1 28 . 1 1 73 73 LEU N N 73 114.882 114.882 120.294 -5.412 19108 24805 1 28 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.033 -0.448 19108 24806 1 28 . 1 1 73 73 LEU CA C 73 56.661 56.661 57.689 -1.028 19108 24807 1 28 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.709 -2.464 19108 24808 1 28 . 1 1 73 73 LEU H H 73 6.637 6.637 8.338 -1.701 19108 24809 1 28 . 1 1 74 74 ARG N N 74 117.799 117.799 119.687 -1.888 19108 24810 1 28 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.873 0.169 19108 24811 1 28 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.585 -0.410 19108 24812 1 28 . 1 1 74 74 ARG H H 74 7.556 7.556 8.345 -0.789 19108 24813 1 28 . 1 1 75 75 PHE N N 75 119.783 119.783 119.102 0.681 19108 24814 1 28 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.144 -0.583 19108 24815 1 28 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.643 1.031 19108 24816 1 28 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.796 -0.758 19108 24817 1 28 . 1 1 75 75 PHE H H 75 8.233 8.233 7.640 0.593 19108 24818 1 28 . 1 1 76 76 LEU N N 76 119.526 119.526 119.786 -0.260 19108 24819 1 28 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.626 -0.068 19108 24820 1 28 . 1 1 76 76 LEU CA C 76 58.039 58.039 56.779 1.260 19108 24821 1 28 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.779 -2.764 19108 24822 1 28 . 1 1 76 76 LEU H H 76 7.629 7.629 7.610 0.019 19108 24823 1 28 . 1 1 77 77 ASP N N 77 118.215 118.215 117.925 0.290 19108 24824 1 28 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.463 -0.305 19108 24825 1 28 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.303 0.097 19108 24826 1 28 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.437 -1.069 19108 24827 1 28 . 1 1 77 77 ASP H H 77 8.190 8.190 8.012 0.178 19108 24828 1 28 . 1 1 78 78 LEU N N 78 117.496 117.496 114.282 3.214 19108 24829 1 28 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.491 -0.201 19108 24830 1 28 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.200 -0.214 19108 24831 1 28 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.057 0.344 19108 24832 1 28 . 1 1 78 78 LEU H H 78 7.252 7.252 7.049 0.203 19108 24833 1 28 . 1 1 79 79 VAL N N 79 120.915 120.915 123.582 -2.667 19108 24834 1 28 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.405 -0.182 19108 24835 1 28 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.042 0.486 19108 24836 1 28 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.482 -0.362 19108 24837 1 28 . 1 1 79 79 VAL H H 79 7.179 7.179 7.221 -0.042 19108 24838 1 28 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.323 -0.348 19108 24839 1 28 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.249 1.538 19108 24840 1 28 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.996 -1.188 19108 24841 1 28 . 1 1 81 81 SER N N 81 112.727 112.727 113.399 -0.672 19108 24842 1 28 . 1 1 81 81 SER HA H 81 4.314 4.314 4.205 0.109 19108 24843 1 28 . 1 1 81 81 SER CA C 81 60.618 60.618 60.716 -0.098 19108 24844 1 28 . 1 1 81 81 SER CB C 81 63.450 63.450 63.041 0.409 19108 24845 1 28 . 1 1 81 81 SER H H 81 7.828 7.828 7.405 0.423 19108 24846 1 28 . 1 1 82 82 LEU N N 82 120.918 120.918 120.957 -0.039 19108 24847 1 28 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.296 -0.422 19108 24848 1 28 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.958 -0.466 19108 24849 1 28 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.162 -1.951 19108 24850 1 28 . 1 1 82 82 LEU H H 82 7.912 7.912 7.472 0.440 19108 24851 1 28 . 1 1 83 83 GLN N N 83 111.397 111.397 114.877 -3.480 19108 24852 1 28 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.973 -0.165 19108 24853 1 28 . 1 1 83 83 GLN CA C 83 56.166 56.166 55.787 0.379 19108 24854 1 28 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.472 0.196 19108 24855 1 28 . 1 1 83 83 GLN H H 83 7.458 7.458 7.582 -0.124 19108 24856 1 28 . 1 1 84 84 LEU N N 84 118.520 118.520 119.833 -1.313 19108 24857 1 28 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.068 -0.349 19108 24858 1 28 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.507 -1.765 19108 24859 1 28 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.370 -3.125 19108 24860 1 28 . 1 1 84 84 LEU H H 84 8.736 8.736 8.196 0.540 19108 24861 1 28 . 1 1 85 85 ASP N N 85 126.187 126.187 121.144 5.043 19108 24862 1 28 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.140 -0.257 19108 24863 1 28 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.985 -0.639 19108 24864 1 28 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.376 1.572 19108 24865 1 28 . 1 1 85 85 ASP H H 85 8.415 8.415 8.583 -0.168 19108 24866 1 28 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.943 -0.015 19108 24867 1 28 . 1 1 86 86 PRO CA C 86 63.638 63.638 64.328 -0.689 19108 24868 1 28 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.776 -0.490 19108 24869 1 28 . 1 1 87 87 ALA N N 87 121.030 121.030 118.105 2.925 19108 24870 1 28 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.128 0.290 19108 24871 1 28 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.691 -1.519 19108 24872 1 28 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.663 0.685 19108 24873 1 28 . 1 1 87 87 ALA H H 87 8.504 8.504 7.900 0.604 19108 24874 1 28 . 1 1 88 88 GLN N N 88 119.601 119.601 113.698 5.903 19108 24875 1 28 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.504 0.018 19108 24876 1 28 . 1 1 88 88 GLN CA C 88 53.434 53.434 53.445 -0.011 19108 24877 1 28 . 1 1 88 88 GLN CB C 88 30.049 30.049 30.730 -0.681 19108 24878 1 28 . 1 1 88 88 GLN H H 88 8.125 8.125 7.637 0.488 19108 24879 1 28 . 1 1 89 89 ILE N N 89 118.195 118.195 119.593 -1.398 19108 24880 1 28 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.745 0.224 19108 24881 1 28 . 1 1 89 89 ILE CA C 89 59.541 59.541 60.833 -1.292 19108 24882 1 28 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.814 0.438 19108 24883 1 28 . 1 1 89 89 ILE H H 89 8.099 8.099 8.494 -0.395 19108 24884 1 28 . 1 1 90 90 TYR N N 90 122.421 122.421 126.441 -4.020 19108 24885 1 28 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.121 0.240 19108 24886 1 28 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.880 -0.840 19108 24887 1 28 . 1 1 90 90 TYR CB C 90 42.826 42.826 44.098 -1.272 19108 24888 1 28 . 1 1 90 90 TYR H H 90 8.892 8.892 8.394 0.498 19108 24889 1 28 . 1 1 91 91 ARG N N 91 121.043 121.043 122.082 -1.039 19108 24890 1 28 . 1 1 91 91 ARG HA H 91 5.243 5.243 5.078 0.165 19108 24891 1 28 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.553 -1.018 19108 24892 1 28 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.609 -0.478 19108 24893 1 28 . 1 1 91 91 ARG H H 91 9.327 9.327 9.031 0.296 19108 24894 1 28 . 1 1 92 92 VAL N N 92 132.287 132.287 129.599 2.688 19108 24895 1 28 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.638 0.286 19108 24896 1 28 . 1 1 92 92 VAL CA C 92 60.905 60.905 62.603 -1.698 19108 24897 1 28 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.200 0.653 19108 24898 1 28 . 1 1 92 92 VAL H H 92 9.668 9.668 9.126 0.542 19108 24899 1 28 . 1 1 93 93 THR N N 93 124.468 124.468 124.714 -0.246 19108 24900 1 28 . 1 1 93 93 THR HA H 93 5.264 5.264 4.587 0.677 19108 24901 1 28 . 1 1 93 93 THR CA C 93 61.616 61.616 62.643 -1.027 19108 24902 1 28 . 1 1 93 93 THR CB C 93 70.082 70.082 69.658 0.424 19108 24903 1 28 . 1 1 93 93 THR H H 93 9.381 9.381 9.329 0.052 19108 24904 1 28 . 1 1 94 94 TRP N N 94 124.491 124.491 127.864 -3.373 19108 24905 1 28 . 1 1 94 94 TRP HA H 94 5.666 5.666 4.798 0.868 19108 24906 1 28 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.959 -2.753 19108 24907 1 28 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.877 2.791 19108 24908 1 28 . 1 1 94 94 TRP H H 94 9.071 9.071 9.134 -0.063 19108 24909 1 28 . 1 1 95 95 PHE N N 95 122.179 122.179 122.599 -0.420 19108 24910 1 28 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.005 0.665 19108 24911 1 28 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.223 -0.449 19108 24912 1 28 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.487 -1.038 19108 24913 1 28 . 1 1 95 95 PHE H H 95 9.578 9.578 8.469 1.109 19108 24914 1 28 . 1 1 96 96 ILE N N 96 125.072 125.072 121.602 3.470 19108 24915 1 28 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.040 0.933 19108 24916 1 28 . 1 1 96 96 ILE CA C 96 58.427 58.427 60.032 -1.605 19108 24917 1 28 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.020 5.053 19108 24918 1 28 . 1 1 96 96 ILE H H 96 9.816 9.816 8.559 1.257 19108 24919 1 28 . 1 1 97 97 SER N N 97 124.020 124.020 119.050 4.970 19108 24920 1 28 . 1 1 97 97 SER HA H 97 3.623 3.623 4.774 -1.151 19108 24921 1 28 . 1 1 97 97 SER CA C 97 61.750 61.750 59.745 2.005 19108 24922 1 28 . 1 1 97 97 SER CB C 97 63.711 63.711 64.042 -0.331 19108 24923 1 28 . 1 1 97 97 SER H H 97 9.156 9.156 8.441 0.715 19108 24924 1 28 . 1 1 98 98 TRP N N 98 114.829 114.829 121.665 -6.836 19108 24925 1 28 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.181 0.158 19108 24926 1 28 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.626 -1.955 19108 24927 1 28 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.142 3.609 19108 24928 1 28 . 1 1 98 98 TRP H H 98 6.619 6.619 7.839 -1.220 19108 24929 1 28 . 1 1 99 99 SER N N 99 115.444 115.444 119.698 -4.254 19108 24930 1 28 . 1 1 99 99 SER CA C 99 58.045 58.045 57.557 0.488 19108 24931 1 28 . 1 1 99 99 SER CB C 99 61.927 61.927 63.785 -1.858 19108 24932 1 28 . 1 1 99 99 SER H H 99 8.590 8.590 8.367 0.223 19108 24933 1 28 . 1 1 100 100 PRO CA C 100 61.925 61.925 62.767 -0.842 19108 24934 1 28 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.678 2.118 19108 24935 1 28 . 1 1 101 101 CYS N N 101 121.768 121.768 119.867 1.901 19108 24936 1 28 . 1 1 101 101 CYS CA C 101 58.659 58.659 59.393 -0.734 19108 24937 1 28 . 1 1 101 101 CYS CB C 101 30.189 30.189 27.676 2.513 19108 24938 1 28 . 1 1 101 101 CYS H H 101 8.686 8.686 8.561 0.125 19108 24939 1 28 . 1 1 102 102 PHE N N 102 115.031 115.031 123.436 -8.405 19108 24940 1 28 . 1 1 102 102 PHE CA C 102 58.960 58.960 54.586 4.374 19108 24941 1 28 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.993 1.164 19108 24942 1 28 . 1 1 102 102 PHE H H 102 9.318 9.318 8.189 1.129 19108 24943 1 28 . 1 1 103 103 SER N N 103 119.552 119.552 123.130 -3.578 19108 24944 1 28 . 1 1 103 103 SER HA H 103 3.713 3.713 4.193 -0.480 19108 24945 1 28 . 1 1 103 103 SER CA C 103 63.368 63.368 61.543 1.825 19108 24946 1 28 . 1 1 103 103 SER CB C 103 60.539 60.539 63.034 -2.495 19108 24947 1 28 . 1 1 103 103 SER H H 103 10.858 10.858 8.822 2.036 19108 24948 1 28 . 1 1 104 104 TRP N N 104 117.909 117.909 123.194 -5.285 19108 24949 1 28 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.816 -1.040 19108 24950 1 28 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.640 0.574 19108 24951 1 28 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.454 -1.568 19108 24952 1 28 . 1 1 104 104 TRP H H 104 7.880 7.880 8.567 -0.687 19108 24953 1 28 . 1 1 105 105 GLY N N 105 106.359 106.359 108.440 -2.081 19108 24954 1 28 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.011 -0.930 19108 24955 1 28 . 1 1 105 105 GLY H H 105 7.468 7.468 8.828 -1.360 19108 24956 1 28 . 1 1 106 106 CYS N N 106 120.359 120.359 120.429 -0.070 19108 24957 1 28 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.580 -0.721 19108 24958 1 28 . 1 1 106 106 CYS CA C 106 67.102 67.102 60.859 6.243 19108 24959 1 28 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.399 2.319 19108 24960 1 28 . 1 1 106 106 CYS H H 106 7.366 7.366 8.216 -0.850 19108 24961 1 28 . 1 1 107 107 ALA N N 107 119.725 119.725 125.353 -5.628 19108 24962 1 28 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.096 -0.231 19108 24963 1 28 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.242 1.692 19108 24964 1 28 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.247 0.196 19108 24965 1 28 . 1 1 107 107 ALA H H 107 8.719 8.719 8.780 -0.061 19108 24966 1 28 . 1 1 108 108 GLY N N 108 103.829 103.829 107.332 -3.503 19108 24967 1 28 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.176 -0.282 19108 24968 1 28 . 1 1 108 108 GLY H H 108 8.555 8.555 8.000 0.555 19108 24969 1 28 . 1 1 109 109 GLU N N 109 123.162 123.162 122.065 1.097 19108 24970 1 28 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.131 0.135 19108 24971 1 28 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.102 0.190 19108 24972 1 28 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.795 0.587 19108 24973 1 28 . 1 1 109 109 GLU H H 109 8.023 8.023 7.751 0.272 19108 24974 1 28 . 1 1 110 110 VAL N N 110 121.866 121.866 119.751 2.115 19108 24975 1 28 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.732 -0.033 19108 24976 1 28 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.044 0.999 19108 24977 1 28 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.442 -0.436 19108 24978 1 28 . 1 1 110 110 VAL H H 110 8.942 8.942 7.776 1.166 19108 24979 1 28 . 1 1 111 111 ARG N N 111 120.587 120.587 121.074 -0.487 19108 24980 1 28 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.749 0.037 19108 24981 1 28 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.988 0.093 19108 24982 1 28 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.955 -0.780 19108 24983 1 28 . 1 1 111 111 ARG H H 111 8.653 8.653 8.467 0.186 19108 24984 1 28 . 1 1 112 112 ALA N N 112 120.687 120.687 120.886 -0.199 19108 24985 1 28 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.034 0.100 19108 24986 1 28 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.913 0.506 19108 24987 1 28 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.034 -0.043 19108 24988 1 28 . 1 1 112 112 ALA H H 112 7.875 7.875 7.853 0.022 19108 24989 1 28 . 1 1 113 113 PHE N N 113 118.950 118.950 119.558 -0.608 19108 24990 1 28 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.073 0.264 19108 24991 1 28 . 1 1 113 113 PHE CA C 113 61.376 61.376 62.038 -0.661 19108 24992 1 28 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.096 0.291 19108 24993 1 28 . 1 1 113 113 PHE H H 113 8.139 8.139 7.611 0.528 19108 24994 1 28 . 1 1 114 114 LEU N N 114 120.595 120.595 119.719 0.876 19108 24995 1 28 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.868 -0.068 19108 24996 1 28 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.451 -1.318 19108 24997 1 28 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.715 -0.806 19108 24998 1 28 . 1 1 114 114 LEU H H 114 8.639 8.639 8.220 0.419 19108 24999 1 28 . 1 1 115 115 GLN N N 115 117.666 117.666 115.788 1.878 19108 25000 1 28 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.972 0.051 19108 25001 1 28 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.470 -0.084 19108 25002 1 28 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.543 -0.005 19108 25003 1 28 . 1 1 115 115 GLN H H 115 8.167 8.167 7.982 0.185 19108 25004 1 28 . 1 1 116 116 GLU N N 116 115.380 115.380 117.061 -1.681 19108 25005 1 28 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.315 0.007 19108 25006 1 28 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.302 0.760 19108 25007 1 28 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.812 -0.097 19108 25008 1 28 . 1 1 116 116 GLU H H 116 7.448 7.448 7.648 -0.200 19108 25009 1 28 . 1 1 117 117 ASN N N 117 119.831 119.831 118.059 1.772 19108 25010 1 28 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.058 0.007 19108 25011 1 28 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.763 -0.578 19108 25012 1 28 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.922 -1.676 19108 25013 1 28 . 1 1 117 117 ASN H H 117 7.632 7.632 7.964 -0.332 19108 25014 1 28 . 1 1 118 118 THR N N 118 111.041 111.041 116.356 -5.315 19108 25015 1 28 . 1 1 118 118 THR HA H 118 4.317 4.317 3.921 0.396 19108 25016 1 28 . 1 1 118 118 THR CA C 118 64.081 64.081 65.284 -1.203 19108 25017 1 28 . 1 1 118 118 THR CB C 118 68.767 68.767 68.908 -0.141 19108 25018 1 28 . 1 1 118 118 THR H H 118 8.054 8.054 7.868 0.186 19108 25019 1 28 . 1 1 119 119 HIS N N 119 120.403 120.403 115.660 4.743 19108 25020 1 28 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.603 -0.314 19108 25021 1 28 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.941 0.660 19108 25022 1 28 . 1 1 119 119 HIS CB C 119 30.320 30.320 29.147 1.173 19108 25023 1 28 . 1 1 119 119 HIS H H 119 9.248 9.248 8.199 1.049 19108 25024 1 28 . 1 1 120 120 VAL N N 120 120.001 120.001 119.476 0.525 19108 25025 1 28 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.547 -0.021 19108 25026 1 28 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.624 1.266 19108 25027 1 28 . 1 1 120 120 VAL CB C 120 32.995 32.995 33.337 -0.342 19108 25028 1 28 . 1 1 120 120 VAL H H 120 7.379 7.379 7.847 -0.468 19108 25029 1 28 . 1 1 121 121 ARG N N 121 125.312 125.312 127.294 -1.982 19108 25030 1 28 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.461 0.349 19108 25031 1 28 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.110 -2.043 19108 25032 1 28 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.675 -2.095 19108 25033 1 28 . 1 1 121 121 ARG H H 121 8.775 8.775 8.662 0.113 19108 25034 1 28 . 1 1 122 122 LEU N N 122 125.483 125.483 122.520 2.963 19108 25035 1 28 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.276 -0.116 19108 25036 1 28 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.126 0.175 19108 25037 1 28 . 1 1 122 122 LEU CB C 122 46.672 46.672 45.464 1.208 19108 25038 1 28 . 1 1 122 122 LEU H H 122 9.345 9.345 8.592 0.753 19108 25039 1 28 . 1 1 123 123 ARG N N 123 127.748 127.748 123.962 3.786 19108 25040 1 28 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.538 0.198 19108 25041 1 28 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.684 -0.517 19108 25042 1 28 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.249 0.563 19108 25043 1 28 . 1 1 123 123 ARG H H 123 9.053 9.053 8.203 0.850 19108 25044 1 28 . 1 1 124 124 ILE N N 124 123.665 123.665 124.077 -0.412 19108 25045 1 28 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.337 0.105 19108 25046 1 28 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.486 0.273 19108 25047 1 28 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.591 1.302 19108 25048 1 28 . 1 1 124 124 ILE H H 124 9.019 9.019 8.615 0.404 19108 25049 1 28 . 1 1 125 125 PHE N N 125 126.320 126.320 126.780 -0.460 19108 25050 1 28 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.479 -0.314 19108 25051 1 28 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.509 0.405 19108 25052 1 28 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.941 -0.122 19108 25053 1 28 . 1 1 125 125 PHE H H 125 9.359 9.359 8.111 1.248 19108 25054 1 28 . 1 1 126 126 ALA N N 126 124.526 124.526 127.768 -3.242 19108 25055 1 28 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.005 0.811 19108 25056 1 28 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.862 -1.992 19108 25057 1 28 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.344 0.990 19108 25058 1 28 . 1 1 126 126 ALA H H 126 9.091 9.091 8.398 0.693 19108 25059 1 28 . 1 1 127 127 ALA N N 127 126.272 126.272 128.998 -2.726 19108 25060 1 28 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.561 0.190 19108 25061 1 28 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.745 1.723 19108 25062 1 28 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.873 -0.268 19108 25063 1 28 . 1 1 127 127 ALA H H 127 9.049 9.049 9.224 -0.175 19108 25064 1 28 . 1 1 128 128 ARG N N 128 108.570 108.570 118.105 -9.535 19108 25065 1 28 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.706 -0.292 19108 25066 1 28 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.266 3.940 19108 25067 1 28 . 1 1 128 128 ARG H H 128 6.741 6.741 7.829 -1.088 19108 25068 1 28 . 1 1 129 129 ILE N N 129 121.285 121.285 123.336 -2.051 19108 25069 1 28 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.315 -0.024 19108 25070 1 28 . 1 1 129 129 ILE CA C 129 60.867 60.867 61.022 -0.155 19108 25071 1 28 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.008 0.821 19108 25072 1 28 . 1 1 129 129 ILE H H 129 8.340 8.340 8.357 -0.017 19108 25073 1 28 . 1 1 130 130 TYR N N 130 130.143 130.143 127.938 2.205 19108 25074 1 28 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.450 0.885 19108 25075 1 28 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.561 -0.635 19108 25076 1 28 . 1 1 130 130 TYR CB C 130 38.163 38.163 41.231 -3.068 19108 25077 1 28 . 1 1 130 130 TYR H H 130 8.870 8.870 8.296 0.574 19108 25078 1 28 . 1 1 131 131 ASP N N 131 123.662 123.662 122.258 1.404 19108 25079 1 28 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.789 -1.122 19108 25080 1 28 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.599 1.114 19108 25081 1 28 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.383 -3.482 19108 25082 1 28 . 1 1 131 131 ASP H H 131 8.123 8.123 8.055 0.068 19108 25083 1 28 . 1 1 132 132 TYR N N 132 116.852 116.852 120.150 -3.298 19108 25084 1 28 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.717 -0.802 19108 25085 1 28 . 1 1 132 132 TYR CA C 132 59.468 59.468 60.106 -0.638 19108 25086 1 28 . 1 1 132 132 TYR CB C 132 39.037 39.037 38.606 0.431 19108 25087 1 28 . 1 1 132 132 TYR H H 132 6.448 6.448 8.486 -2.038 19108 25088 1 28 . 1 1 133 133 ASP N N 133 116.930 116.930 117.905 -0.975 19108 25089 1 28 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.125 -1.960 19108 25090 1 28 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.559 1.223 19108 25091 1 28 . 1 1 133 133 ASP H H 133 7.005 7.005 8.131 -1.126 19108 25092 1 28 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.628 -0.525 19108 25093 1 28 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.413 0.287 19108 25094 1 28 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.545 0.545 19108 25095 1 28 . 1 1 135 135 LEU N N 135 120.252 120.252 120.351 -0.099 19108 25096 1 28 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.056 0.642 19108 25097 1 28 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.340 -1.959 19108 25098 1 28 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.215 -1.472 19108 25099 1 28 . 1 1 135 135 LEU H H 135 8.456 8.456 7.616 0.840 19108 25100 1 28 . 1 1 136 136 TYR N N 136 117.432 117.432 119.165 -1.733 19108 25101 1 28 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.116 -0.055 19108 25102 1 28 . 1 1 136 136 TYR CA C 136 61.058 61.058 59.761 1.298 19108 25103 1 28 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.140 0.440 19108 25104 1 28 . 1 1 136 136 TYR H H 136 8.028 8.028 7.848 0.180 19108 25105 1 28 . 1 1 137 137 LYS N N 137 122.000 122.000 119.349 2.651 19108 25106 1 28 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.800 1.498 19108 25107 1 28 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.506 -0.708 19108 25108 1 28 . 1 1 137 137 LYS H H 137 7.503 7.503 6.962 0.541 19108 25109 1 28 . 1 1 138 138 GLU N N 138 121.833 121.833 119.190 2.643 19108 25110 1 28 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.199 0.642 19108 25111 1 28 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.531 -2.062 19108 25112 1 28 . 1 1 138 138 GLU H H 138 8.752 8.752 7.802 0.950 19108 25113 1 28 . 1 1 139 139 ALA N N 139 119.592 119.592 122.252 -2.660 19108 25114 1 28 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.089 -0.243 19108 25115 1 28 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.034 0.106 19108 25116 1 28 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.282 1.973 19108 25117 1 28 . 1 1 139 139 ALA H H 139 7.682 7.682 7.570 0.112 19108 25118 1 28 . 1 1 140 140 LEU N N 140 116.268 116.268 119.233 -2.965 19108 25119 1 28 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.147 0.046 19108 25120 1 28 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.615 -0.520 19108 25121 1 28 . 1 1 140 140 LEU H H 140 7.175 7.175 7.591 -0.416 19108 25122 1 28 . 1 1 141 141 GLN N N 141 117.550 117.550 116.652 0.898 19108 25123 1 28 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.947 -0.228 19108 25124 1 28 . 1 1 141 141 GLN CA C 141 59.051 59.051 57.993 1.058 19108 25125 1 28 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.449 -0.855 19108 25126 1 28 . 1 1 141 141 GLN H H 141 8.322 8.322 7.833 0.489 19108 25127 1 28 . 1 1 142 142 MET N N 142 118.520 118.520 120.219 -1.699 19108 25128 1 28 . 1 1 142 142 MET HA H 142 4.135 4.135 3.975 0.160 19108 25129 1 28 . 1 1 142 142 MET CA C 142 59.051 59.051 58.454 0.597 19108 25130 1 28 . 1 1 142 142 MET CB C 142 33.170 33.170 32.336 0.834 19108 25131 1 28 . 1 1 142 142 MET H H 142 8.241 8.241 7.908 0.333 19108 25132 1 28 . 1 1 143 143 LEU N N 143 118.659 118.659 119.539 -0.880 19108 25133 1 28 . 1 1 143 143 LEU HA H 143 4.292 4.292 3.952 0.340 19108 25134 1 28 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.836 0.279 19108 25135 1 28 . 1 1 143 143 LEU CB C 143 41.377 41.377 40.983 0.394 19108 25136 1 28 . 1 1 143 143 LEU H H 143 7.932 7.932 8.523 -0.591 19108 25137 1 28 . 1 1 144 144 ARG N N 144 121.294 121.294 118.659 2.635 19108 25138 1 28 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.898 0.528 19108 25139 1 28 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.189 -0.200 19108 25140 1 28 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.635 -1.527 19108 25141 1 28 . 1 1 144 144 ARG H H 144 7.968 7.968 7.589 0.379 19108 25142 1 28 . 1 1 145 145 ASP N N 145 122.553 122.553 118.238 4.315 19108 25143 1 28 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.567 -0.138 19108 25144 1 28 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.611 -0.033 19108 25145 1 28 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.487 -0.897 19108 25146 1 28 . 1 1 145 145 ASP H H 145 8.868 8.868 7.810 1.058 19108 25147 1 28 . 1 1 146 146 ALA N N 146 120.102 120.102 120.496 -0.394 19108 25148 1 28 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.385 0.033 19108 25149 1 28 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.510 -0.476 19108 25150 1 28 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.242 0.053 19108 25151 1 28 . 1 1 146 146 ALA H H 146 7.737 7.737 7.834 -0.097 19108 25152 1 28 . 1 1 147 147 GLY N N 147 105.039 105.039 106.559 -1.520 19108 25153 1 28 . 1 1 147 147 GLY CA C 147 44.864 44.864 45.015 -0.151 19108 25154 1 28 . 1 1 147 147 GLY H H 147 7.966 7.966 7.942 0.024 19108 25155 1 28 . 1 1 148 148 ALA N N 148 124.181 124.181 123.336 0.845 19108 25156 1 28 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.588 0.101 19108 25157 1 28 . 1 1 148 148 ALA CA C 148 51.459 51.459 50.963 0.496 19108 25158 1 28 . 1 1 148 148 ALA CB C 148 18.479 18.479 21.864 -3.385 19108 25159 1 28 . 1 1 148 148 ALA H H 148 8.051 8.051 7.549 0.502 19108 25160 1 28 . 1 1 149 149 GLN N N 149 122.185 122.185 120.203 1.982 19108 25161 1 28 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.559 -0.120 19108 25162 1 28 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.563 0.392 19108 25163 1 28 . 1 1 149 149 GLN CB C 149 29.421 29.421 29.767 -0.346 19108 25164 1 28 . 1 1 149 149 GLN H H 149 7.953 7.953 8.133 -0.180 19108 25165 1 28 . 1 1 150 150 VAL N N 150 127.399 127.399 121.995 5.404 19108 25166 1 28 . 1 1 150 150 VAL HA H 150 4.752 4.752 5.053 -0.301 19108 25167 1 28 . 1 1 150 150 VAL CA C 150 61.439 61.439 59.612 1.827 19108 25168 1 28 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.272 0.907 19108 25169 1 28 . 1 1 150 150 VAL H H 150 8.658 8.658 8.312 0.346 19108 25170 1 28 . 1 1 151 151 SER N N 151 120.616 120.616 120.966 -0.350 19108 25171 1 28 . 1 1 151 151 SER HA H 151 5.179 5.179 4.768 0.411 19108 25172 1 28 . 1 1 151 151 SER CA C 151 56.981 56.981 57.332 -0.351 19108 25173 1 28 . 1 1 151 151 SER CB C 151 66.538 66.538 66.353 0.185 19108 25174 1 28 . 1 1 151 151 SER H H 151 8.737 8.737 8.301 0.436 19108 25175 1 28 . 1 1 152 152 ILE N N 152 123.180 123.180 122.713 0.467 19108 25176 1 28 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.390 0.757 19108 25177 1 28 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.789 -4.271 19108 25178 1 28 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.344 -2.264 19108 25179 1 28 . 1 1 152 152 ILE H H 152 8.672 8.672 8.597 0.075 19108 25180 1 28 . 1 1 153 153 MET N N 153 123.477 123.477 128.143 -4.666 19108 25181 1 28 . 1 1 153 153 MET HA H 153 3.886 3.886 4.416 -0.530 19108 25182 1 28 . 1 1 153 153 MET CA C 153 59.053 59.053 56.721 2.332 19108 25183 1 28 . 1 1 153 153 MET CB C 153 34.793 34.793 31.863 2.930 19108 25184 1 28 . 1 1 153 153 MET H H 153 8.314 8.314 8.195 0.119 19108 25185 1 28 . 1 1 154 154 THR N N 154 117.621 117.621 116.764 0.857 19108 25186 1 28 . 1 1 154 154 THR HA H 154 4.951 4.951 4.739 0.212 19108 25187 1 28 . 1 1 154 154 THR CA C 154 60.436 60.436 59.786 0.650 19108 25188 1 28 . 1 1 154 154 THR CB C 154 72.370 72.370 71.746 0.624 19108 25189 1 28 . 1 1 154 154 THR H H 154 9.630 9.630 7.981 1.649 19108 25190 1 28 . 1 1 155 155 TYR N N 155 121.751 121.751 124.059 -2.308 19108 25191 1 28 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.013 0.086 19108 25192 1 28 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.742 2.697 19108 25193 1 28 . 1 1 155 155 TYR CB C 155 39.286 39.286 37.807 1.479 19108 25194 1 28 . 1 1 155 155 TYR H H 155 9.769 9.769 8.998 0.771 19108 25195 1 28 . 1 1 156 156 ASP N N 156 115.555 115.555 116.951 -1.396 19108 25196 1 28 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.628 0.480 19108 25197 1 28 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.632 0.628 19108 25198 1 28 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.062 0.556 19108 25199 1 28 . 1 1 156 156 ASP H H 156 8.230 8.230 8.308 -0.078 19108 25200 1 28 . 1 1 157 157 GLU N N 157 117.678 117.678 120.597 -2.919 19108 25201 1 28 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.914 -0.044 19108 25202 1 28 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.441 1.067 19108 25203 1 28 . 1 1 157 157 GLU CB C 157 31.048 31.048 28.927 2.121 19108 25204 1 28 . 1 1 157 157 GLU H H 157 7.470 7.470 8.175 -0.705 19108 25205 1 28 . 1 1 158 158 PHE N N 158 119.869 119.869 119.212 0.657 19108 25206 1 28 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.759 0.070 19108 25207 1 28 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.789 0.987 19108 25208 1 28 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.404 1.503 19108 25209 1 28 . 1 1 158 158 PHE H H 158 8.077 8.077 8.228 -0.151 19108 25210 1 28 . 1 1 159 159 LYS N N 159 118.859 118.859 118.393 0.466 19108 25211 1 28 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.661 0.256 19108 25212 1 28 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.873 -0.642 19108 25213 1 28 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.204 -0.241 19108 25214 1 28 . 1 1 159 159 LYS H H 159 8.273 8.273 7.623 0.650 19108 25215 1 28 . 1 1 160 160 HIS N N 160 115.889 115.889 119.193 -3.304 19108 25216 1 28 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.321 -0.162 19108 25217 1 28 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.961 1.020 19108 25218 1 28 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.291 -1.361 19108 25219 1 28 . 1 1 160 160 HIS H H 160 7.695 7.695 7.725 -0.030 19108 25220 1 28 . 1 1 161 161 CYS N N 161 118.188 118.188 117.857 0.331 19108 25221 1 28 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.168 0.621 19108 25222 1 28 . 1 1 161 161 CYS CA C 161 63.794 63.794 64.122 -0.328 19108 25223 1 28 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.563 1.323 19108 25224 1 28 . 1 1 161 161 CYS H H 161 7.885 7.885 7.994 -0.109 19108 25225 1 28 . 1 1 162 162 TRP N N 162 122.741 122.741 122.130 0.611 19108 25226 1 28 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.501 0.263 19108 25227 1 28 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.454 0.263 19108 25228 1 28 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.063 -0.470 19108 25229 1 28 . 1 1 162 162 TRP H H 162 8.040 8.040 7.986 0.054 19108 25230 1 28 . 1 1 163 163 ASP N N 163 113.796 113.796 118.514 -4.718 19108 25231 1 28 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.905 0.221 19108 25232 1 28 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.006 0.923 19108 25233 1 28 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.233 0.302 19108 25234 1 28 . 1 1 163 163 ASP H H 163 8.319 8.319 8.031 0.288 19108 25235 1 28 . 1 1 164 164 THR N N 164 112.008 112.008 113.671 -1.663 19108 25236 1 28 . 1 1 164 164 THR HA H 164 3.803 3.803 4.092 -0.289 19108 25237 1 28 . 1 1 164 164 THR CA C 164 65.164 65.164 64.826 0.338 19108 25238 1 28 . 1 1 164 164 THR CB C 164 70.171 70.171 69.175 0.996 19108 25239 1 28 . 1 1 164 164 THR H H 164 7.494 7.494 7.968 -0.474 19108 25240 1 28 . 1 1 165 165 PHE N N 165 115.079 115.079 118.243 -3.164 19108 25241 1 28 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.694 -0.159 19108 25242 1 28 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.675 0.294 19108 25243 1 28 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.574 -0.206 19108 25244 1 28 . 1 1 165 165 PHE H H 165 8.235 8.235 7.420 0.815 19108 25245 1 28 . 1 1 166 166 VAL N N 166 118.432 118.432 118.566 -0.134 19108 25246 1 28 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.399 -0.373 19108 25247 1 28 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.437 1.564 19108 25248 1 28 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.217 -2.861 19108 25249 1 28 . 1 1 166 166 VAL H H 166 6.838 6.838 7.178 -0.340 19108 25250 1 28 . 1 1 167 167 ASP N N 167 126.263 126.263 127.775 -1.512 19108 25251 1 28 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.694 -0.846 19108 25252 1 28 . 1 1 167 167 ASP CA C 167 51.630 51.630 52.740 -1.110 19108 25253 1 28 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.553 -1.472 19108 25254 1 28 . 1 1 167 167 ASP H H 167 8.498 8.498 8.370 0.128 19108 25255 1 28 . 1 1 168 168 HIS N N 168 119.890 119.890 119.759 0.131 19108 25256 1 28 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.225 0.121 19108 25257 1 28 . 1 1 168 168 HIS CA C 168 56.575 56.575 59.122 -2.547 19108 25258 1 28 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.051 2.411 19108 25259 1 28 . 1 1 168 168 HIS H H 168 6.977 6.977 7.743 -0.766 19108 25260 1 28 . 1 1 169 169 GLN N N 169 119.254 119.254 116.762 2.492 19108 25261 1 28 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.044 -0.321 19108 25262 1 28 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.580 0.190 19108 25263 1 28 . 1 1 169 169 GLN CB C 169 26.521 26.521 26.803 -0.282 19108 25264 1 28 . 1 1 169 169 GLN H H 169 9.126 9.126 8.980 0.146 19108 25265 1 28 . 1 1 170 170 GLY N N 170 111.911 111.911 100.954 10.957 19108 25266 1 28 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.451 0.373 19108 25267 1 28 . 1 1 170 170 GLY H H 170 11.556 11.556 5.128 6.428 19108 25268 1 28 . 1 1 171 171 CYS N N 171 123.390 123.390 121.821 1.569 19108 25269 1 28 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.993 -0.277 19108 25270 1 28 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.264 1.521 19108 25271 1 28 . 1 1 171 171 CYS CB C 171 27.904 27.904 29.013 -1.109 19108 25272 1 28 . 1 1 171 171 CYS H H 171 8.044 8.044 6.978 1.066 19108 25273 1 28 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.937 -0.319 19108 25274 1 28 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.297 -0.439 19108 25275 1 28 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.543 -0.014 19108 25276 1 28 . 1 1 173 173 PHE N N 173 121.101 121.101 120.459 0.642 19108 25277 1 28 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.227 -0.571 19108 25278 1 28 . 1 1 173 173 PHE CA C 173 57.541 57.541 58.792 -1.251 19108 25279 1 28 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.374 -0.628 19108 25280 1 28 . 1 1 173 173 PHE H H 173 8.842 8.842 8.211 0.631 19108 25281 1 28 . 1 1 174 174 GLN N N 174 129.493 129.493 124.271 5.222 19108 25282 1 28 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.430 -0.113 19108 25283 1 28 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.384 -1.589 19108 25284 1 28 . 1 1 174 174 GLN CB C 174 29.097 29.097 27.934 1.163 19108 25285 1 28 . 1 1 174 174 GLN H H 174 7.250 7.250 7.355 -0.105 19108 25286 1 28 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.556 -0.642 19108 25287 1 28 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.701 -0.278 19108 25288 1 28 . 1 1 176 176 TRP N N 176 118.133 118.133 123.395 -5.262 19108 25289 1 28 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.798 -0.165 19108 25290 1 28 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.409 0.753 19108 25291 1 28 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.928 -1.039 19108 25292 1 28 . 1 1 176 176 TRP H H 176 5.591 5.591 6.871 -1.280 19108 25293 1 28 . 1 1 177 177 ASP N N 177 121.814 121.814 121.902 -0.088 19108 25294 1 28 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.311 0.086 19108 25295 1 28 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.096 1.076 19108 25296 1 28 . 1 1 177 177 ASP CB C 177 40.675 40.675 38.799 1.876 19108 25297 1 28 . 1 1 177 177 ASP H H 177 8.848 8.848 8.804 0.044 19108 25298 1 28 . 1 1 178 178 GLY N N 178 111.875 111.875 110.002 1.873 19108 25299 1 28 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.293 0.373 19108 25300 1 28 . 1 1 178 178 GLY H H 178 8.987 8.987 8.307 0.680 19108 25301 1 28 . 1 1 179 179 LEU N N 179 121.470 121.470 122.969 -1.499 19108 25302 1 28 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.144 0.344 19108 25303 1 28 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.425 2.357 19108 25304 1 28 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.705 0.524 19108 25305 1 28 . 1 1 179 179 LEU H H 179 7.148 7.148 8.428 -1.280 19108 25306 1 28 . 1 1 180 180 ASP N N 180 119.476 119.476 119.605 -0.129 19108 25307 1 28 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.358 0.134 19108 25308 1 28 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.094 -0.155 19108 25309 1 28 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.468 0.245 19108 25310 1 28 . 1 1 180 180 ASP H H 180 8.874 8.874 8.546 0.328 19108 25311 1 28 . 1 1 181 181 GLU N N 181 122.379 122.379 120.020 2.359 19108 25312 1 28 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.907 0.105 19108 25313 1 28 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.623 0.346 19108 25314 1 28 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.385 -0.459 19108 25315 1 28 . 1 1 181 181 GLU H H 181 8.712 8.712 8.442 0.270 19108 25316 1 28 . 1 1 182 182 HIS N N 182 118.572 118.572 117.770 0.802 19108 25317 1 28 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.339 0.415 19108 25318 1 28 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.141 -0.112 19108 25319 1 28 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.504 -0.656 19108 25320 1 28 . 1 1 182 182 HIS H H 182 8.854 8.854 8.505 0.349 19108 25321 1 28 . 1 1 183 183 SER N N 183 116.329 116.329 114.192 2.137 19108 25322 1 28 . 1 1 183 183 SER HA H 183 4.554 4.554 4.188 0.366 19108 25323 1 28 . 1 1 183 183 SER CA C 183 63.604 63.604 61.584 2.020 19108 25324 1 28 . 1 1 183 183 SER CB C 183 65.216 65.216 63.033 2.183 19108 25325 1 28 . 1 1 183 183 SER H H 183 8.665 8.665 8.101 0.564 19108 25326 1 28 . 1 1 184 184 GLN N N 184 122.215 122.215 122.040 0.175 19108 25327 1 28 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.065 0.182 19108 25328 1 28 . 1 1 184 184 GLN CA C 184 58.960 58.960 59.051 -0.091 19108 25329 1 28 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.424 0.511 19108 25330 1 28 . 1 1 184 184 GLN H H 184 8.714 8.714 7.968 0.746 19108 25331 1 28 . 1 1 185 185 ALA N N 185 124.432 124.432 123.069 1.363 19108 25332 1 28 . 1 1 185 185 ALA HA H 185 4.284 4.284 3.957 0.327 19108 25333 1 28 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.487 -0.018 19108 25334 1 28 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.363 0.011 19108 25335 1 28 . 1 1 185 185 ALA H H 185 8.258 8.258 7.935 0.323 19108 25336 1 28 . 1 1 186 186 LEU N N 186 119.941 119.941 117.773 2.168 19108 25337 1 28 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.839 0.373 19108 25338 1 28 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.882 0.334 19108 25339 1 28 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.481 1.283 19108 25340 1 28 . 1 1 186 186 LEU H H 186 8.953 8.953 7.902 1.051 19108 25341 1 28 . 1 1 187 187 SER N N 187 116.987 116.987 114.547 2.440 19108 25342 1 28 . 1 1 187 187 SER HA H 187 4.039 4.039 4.157 -0.118 19108 25343 1 28 . 1 1 187 187 SER CA C 187 63.302 63.302 61.597 1.705 19108 25344 1 28 . 1 1 187 187 SER CB C 187 62.760 62.760 62.915 -0.155 19108 25345 1 28 . 1 1 187 187 SER H H 187 8.935 8.935 8.639 0.296 19108 25346 1 28 . 1 1 188 188 GLY N N 188 110.215 110.215 110.645 -0.430 19108 25347 1 28 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.027 0.127 19108 25348 1 28 . 1 1 188 188 GLY H H 188 8.228 8.228 8.523 -0.295 19108 25349 1 28 . 1 1 189 189 ARG N N 189 122.994 122.994 122.183 0.811 19108 25350 1 28 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.074 0.163 19108 25351 1 28 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.202 0.357 19108 25352 1 28 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.010 0.385 19108 25353 1 28 . 1 1 189 189 ARG H H 189 7.838 7.838 7.590 0.248 19108 25354 1 28 . 1 1 190 190 LEU N N 190 119.765 119.765 120.083 -0.318 19108 25355 1 28 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.051 0.187 19108 25356 1 28 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.039 0.180 19108 25357 1 28 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.226 0.016 19108 25358 1 28 . 1 1 190 190 LEU H H 190 8.791 8.791 7.933 0.858 19108 25359 1 28 . 1 1 191 191 ARG N N 191 118.427 118.427 117.955 0.472 19108 25360 1 28 . 1 1 191 191 ARG HA H 191 4.043 4.043 4.071 -0.028 19108 25361 1 28 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.591 1.191 19108 25362 1 28 . 1 1 191 191 ARG CB C 191 30.191 30.191 29.146 1.045 19108 25363 1 28 . 1 1 191 191 ARG H H 191 8.305 8.305 8.325 -0.020 19108 25364 1 28 . 1 1 192 192 ALA N N 192 119.414 119.414 122.892 -3.478 19108 25365 1 28 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.041 0.176 19108 25366 1 28 . 1 1 192 192 ALA CA C 192 54.716 54.716 55.009 -0.293 19108 25367 1 28 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.215 -0.050 19108 25368 1 28 . 1 1 192 192 ALA H H 192 7.414 7.414 7.776 -0.362 19108 25369 1 28 . 1 1 193 193 ILE N N 193 118.949 118.949 117.707 1.242 19108 25370 1 28 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.765 0.005 19108 25371 1 28 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.986 0.852 19108 25372 1 28 . 1 1 193 193 ILE CB C 193 39.446 39.446 37.968 1.478 19108 25373 1 28 . 1 1 193 193 ILE H H 193 7.896 7.896 7.498 0.398 19108 25374 1 28 . 1 1 194 194 LEU N N 194 116.435 116.435 118.210 -1.775 19108 25375 1 28 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.044 0.229 19108 25376 1 28 . 1 1 194 194 LEU CA C 194 55.713 55.713 57.480 -1.767 19108 25377 1 28 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.029 -1.558 19108 25378 1 28 . 1 1 194 194 LEU H H 194 8.296 8.296 7.461 0.835 19108 25379 1 28 . 1 1 195 195 GLN N N 195 118.580 118.580 116.212 2.368 19108 25380 1 28 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.395 -0.060 19108 25381 1 28 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.394 1.023 19108 25382 1 28 . 1 1 195 195 GLN CB C 195 28.598 28.598 26.490 2.108 19108 25383 1 28 . 1 1 195 195 GLN H H 195 7.921 7.921 8.376 -0.455 19108 25384 1 28 . 1 1 196 196 ASN N N 196 118.941 118.941 119.033 -0.092 19108 25385 1 28 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.706 -0.004 19108 25386 1 28 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.919 -0.469 19108 25387 1 28 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.617 -0.792 19108 25388 1 28 . 1 1 196 196 ASN H H 196 8.078 8.078 7.870 0.208 19108 25389 1 28 . 1 1 197 197 GLN N N 197 120.984 120.984 119.562 1.422 19108 25390 1 28 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.515 -0.159 19108 25391 1 28 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.240 0.925 19108 25392 1 28 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.990 -0.494 19108 25393 1 28 . 1 1 197 197 GLN H H 197 8.526 8.526 8.197 0.329 19108 25394 1 28 . 1 1 198 198 GLY N N 198 109.565 109.565 108.287 1.278 19108 25395 1 28 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.855 0.529 19108 25396 1 28 . 1 1 198 198 GLY H H 198 8.467 8.467 8.618 -0.151 19108 25397 1 29 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.574 -0.200 19108 25398 1 29 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.187 0.161 19108 25399 1 29 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.022 0.431 19108 25400 1 29 . 1 1 3 3 ALA N N 3 125.932 125.932 127.058 -1.126 19108 25401 1 29 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.420 -0.070 19108 25402 1 29 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.710 0.697 19108 25403 1 29 . 1 1 3 3 ALA CB C 3 19.580 19.580 20.026 -0.446 19108 25404 1 29 . 1 1 3 3 ALA H H 3 8.526 8.526 8.266 0.260 19108 25405 1 29 . 1 1 4 4 SER N N 4 116.729 116.729 115.141 1.588 19108 25406 1 29 . 1 1 4 4 SER HA H 4 4.766 4.766 4.309 0.457 19108 25407 1 29 . 1 1 4 4 SER CA C 4 56.283 56.283 58.181 -1.899 19108 25408 1 29 . 1 1 4 4 SER CB C 4 63.278 63.278 62.321 0.957 19108 25409 1 29 . 1 1 4 4 SER H H 4 8.397 8.397 8.398 -0.001 19108 25410 1 29 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.347 0.099 19108 25411 1 29 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.753 -0.447 19108 25412 1 29 . 1 1 5 5 PRO CB C 5 32.097 32.097 31.955 0.142 19108 25413 1 29 . 1 1 6 6 ALA N N 6 124.236 124.236 122.323 1.913 19108 25414 1 29 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.113 0.220 19108 25415 1 29 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.635 -0.072 19108 25416 1 29 . 1 1 6 6 ALA CB C 6 19.334 19.334 18.353 0.981 19108 25417 1 29 . 1 1 6 6 ALA H H 6 8.411 8.411 8.133 0.278 19108 25418 1 29 . 1 1 7 7 SER N N 7 114.497 114.497 115.968 -1.471 19108 25419 1 29 . 1 1 7 7 SER HA H 7 4.475 4.475 4.659 -0.184 19108 25420 1 29 . 1 1 7 7 SER CA C 7 58.258 58.258 57.863 0.395 19108 25421 1 29 . 1 1 7 7 SER CB C 7 64.174 64.174 65.235 -1.061 19108 25422 1 29 . 1 1 7 7 SER H H 7 8.195 8.195 8.384 -0.189 19108 25423 1 29 . 1 1 8 8 GLY N N 8 110.497 110.497 109.071 1.426 19108 25424 1 29 . 1 1 8 8 GLY CA C 8 44.846 44.846 45.169 -0.323 19108 25425 1 29 . 1 1 8 8 GLY H H 8 8.226 8.226 8.434 -0.208 19108 25426 1 29 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.672 -0.223 19108 25427 1 29 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.468 0.966 19108 25428 1 29 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.140 1.053 19108 25429 1 29 . 1 1 10 10 ARG N N 10 120.534 120.534 122.800 -2.266 19108 25430 1 29 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.312 0.029 19108 25431 1 29 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.639 0.377 19108 25432 1 29 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.681 -0.872 19108 25433 1 29 . 1 1 10 10 ARG H H 10 8.469 8.469 8.096 0.373 19108 25434 1 29 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.915 -0.090 19108 25435 1 29 . 1 1 11 11 HIS CA C 11 55.461 55.461 54.762 0.699 19108 25436 1 29 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.659 0.532 19108 25437 1 29 . 1 1 12 12 LEU N N 12 122.284 122.284 122.582 -0.298 19108 25438 1 29 . 1 1 12 12 LEU CA C 12 53.609 53.609 52.947 0.663 19108 25439 1 29 . 1 1 12 12 LEU CB C 12 45.030 45.030 42.922 2.107 19108 25440 1 29 . 1 1 12 12 LEU H H 12 8.250 8.250 8.359 -0.109 19108 25441 1 29 . 1 1 13 13 MET N N 13 121.493 121.493 119.129 2.364 19108 25442 1 29 . 1 1 13 13 MET HA H 13 4.038 4.038 4.398 -0.360 19108 25443 1 29 . 1 1 13 13 MET CA C 13 54.449 54.449 55.090 -0.641 19108 25444 1 29 . 1 1 13 13 MET CB C 13 35.015 35.015 33.163 1.852 19108 25445 1 29 . 1 1 13 13 MET H H 13 8.955 8.955 8.006 0.949 19108 25446 1 29 . 1 1 14 14 ASP N N 14 127.113 127.113 120.416 6.697 19108 25447 1 29 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.823 -0.723 19108 25448 1 29 . 1 1 14 14 ASP CA C 14 52.456 52.456 52.468 -0.012 19108 25449 1 29 . 1 1 14 14 ASP CB C 14 42.510 42.510 40.831 1.679 19108 25450 1 29 . 1 1 14 14 ASP H H 14 8.514 8.514 8.442 0.072 19108 25451 1 29 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.246 -0.393 19108 25452 1 29 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.782 -0.128 19108 25453 1 29 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.039 -0.388 19108 25454 1 29 . 1 1 16 16 HIS N N 16 115.776 115.776 117.540 -1.764 19108 25455 1 29 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.468 -0.190 19108 25456 1 29 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.449 -0.531 19108 25457 1 29 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.132 0.076 19108 25458 1 29 . 1 1 16 16 HIS H H 16 8.591 8.591 8.701 -0.110 19108 25459 1 29 . 1 1 17 17 ILE N N 17 122.675 122.675 118.314 4.361 19108 25460 1 29 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.001 0.483 19108 25461 1 29 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.151 -0.925 19108 25462 1 29 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.604 -0.507 19108 25463 1 29 . 1 1 17 17 ILE H H 17 7.558 7.558 7.844 -0.286 19108 25464 1 29 . 1 1 18 18 PHE N N 18 120.513 120.513 121.520 -1.007 19108 25465 1 29 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.202 -0.199 19108 25466 1 29 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.103 0.701 19108 25467 1 29 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.515 0.125 19108 25468 1 29 . 1 1 18 18 PHE H H 18 7.831 7.831 8.127 -0.296 19108 25469 1 29 . 1 1 19 19 THR N N 19 114.555 114.555 114.187 0.368 19108 25470 1 29 . 1 1 19 19 THR HA H 19 3.657 3.657 4.235 -0.578 19108 25471 1 29 . 1 1 19 19 THR CA C 19 66.485 66.485 65.673 0.812 19108 25472 1 29 . 1 1 19 19 THR CB C 19 68.345 68.345 68.713 -0.367 19108 25473 1 29 . 1 1 19 19 THR H H 19 9.036 9.036 8.771 0.265 19108 25474 1 29 . 1 1 20 20 SER N N 20 113.030 113.030 117.719 -4.689 19108 25475 1 29 . 1 1 20 20 SER HA H 20 4.062 4.062 4.294 -0.232 19108 25476 1 29 . 1 1 20 20 SER CA C 20 60.610 60.610 62.635 -2.025 19108 25477 1 29 . 1 1 20 20 SER CB C 20 63.843 63.843 63.316 0.527 19108 25478 1 29 . 1 1 20 20 SER H H 20 7.809 7.809 8.483 -0.674 19108 25479 1 29 . 1 1 21 21 ASN N N 21 115.629 115.629 119.781 -4.152 19108 25480 1 29 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.280 0.131 19108 25481 1 29 . 1 1 21 21 ASN CA C 21 56.989 56.989 54.849 2.140 19108 25482 1 29 . 1 1 21 21 ASN CB C 21 41.580 41.580 37.743 3.837 19108 25483 1 29 . 1 1 21 21 ASN H H 21 7.362 7.362 7.651 -0.289 19108 25484 1 29 . 1 1 22 22 PHE N N 22 117.773 117.773 113.929 3.844 19108 25485 1 29 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.556 -0.283 19108 25486 1 29 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.957 -0.497 19108 25487 1 29 . 1 1 22 22 PHE CB C 22 37.830 37.830 40.158 -2.328 19108 25488 1 29 . 1 1 22 22 PHE H H 22 8.296 8.296 7.479 0.817 19108 25489 1 29 . 1 1 23 23 ASN N N 23 115.026 115.026 121.922 -6.896 19108 25490 1 29 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.368 0.161 19108 25491 1 29 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.000 0.642 19108 25492 1 29 . 1 1 23 23 ASN CB C 23 36.623 36.623 39.067 -2.444 19108 25493 1 29 . 1 1 23 23 ASN H H 23 6.097 6.097 7.751 -1.654 19108 25494 1 29 . 1 1 24 24 ASN N N 24 122.900 122.900 124.169 -1.269 19108 25495 1 29 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.423 0.010 19108 25496 1 29 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.978 -0.705 19108 25497 1 29 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.366 -0.474 19108 25498 1 29 . 1 1 24 24 ASN H H 24 7.083 7.083 8.030 -0.947 19108 25499 1 29 . 1 1 25 25 GLY N N 25 105.587 105.587 107.295 -1.708 19108 25500 1 29 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.302 -0.437 19108 25501 1 29 . 1 1 25 25 GLY H H 25 8.520 8.520 8.521 -0.001 19108 25502 1 29 . 1 1 26 26 ILE N N 26 120.182 120.182 116.702 3.480 19108 25503 1 29 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.296 -0.122 19108 25504 1 29 . 1 1 26 26 ILE CA C 26 60.443 60.443 60.987 -0.544 19108 25505 1 29 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.287 2.228 19108 25506 1 29 . 1 1 26 26 ILE H H 26 6.944 6.944 7.805 -0.861 19108 25507 1 29 . 1 1 27 27 GLY N N 27 111.665 111.665 108.150 3.515 19108 25508 1 29 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.075 0.244 19108 25509 1 29 . 1 1 27 27 GLY H H 27 8.457 8.457 9.066 -0.609 19108 25510 1 29 . 1 1 28 28 ARG N N 28 117.565 117.565 119.266 -1.701 19108 25511 1 29 . 1 1 28 28 ARG CA C 28 53.565 53.565 54.721 -1.156 19108 25512 1 29 . 1 1 28 28 ARG H H 28 6.741 6.741 8.028 -1.287 19108 25513 1 29 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.198 1.805 19108 25514 1 29 . 1 1 29 29 HIS CB C 29 29.044 29.044 28.993 0.051 19108 25515 1 29 . 1 1 29 29 HIS H H 29 8.636 8.636 8.656 -0.020 19108 25516 1 29 . 1 1 30 30 LYS N N 30 119.344 119.344 123.654 -4.310 19108 25517 1 29 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.346 0.075 19108 25518 1 29 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.962 0.902 19108 25519 1 29 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.163 2.028 19108 25520 1 29 . 1 1 30 30 LYS H H 30 7.870 7.870 7.550 0.320 19108 25521 1 29 . 1 1 31 31 THR N N 31 118.233 118.233 115.016 3.217 19108 25522 1 29 . 1 1 31 31 THR HA H 31 4.125 4.125 3.795 0.330 19108 25523 1 29 . 1 1 31 31 THR CA C 31 63.175 63.175 63.104 0.071 19108 25524 1 29 . 1 1 31 31 THR H H 31 8.436 8.436 7.103 1.333 19108 25525 1 29 . 1 1 32 32 TYR N N 32 124.026 124.026 122.411 1.615 19108 25526 1 29 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.926 0.010 19108 25527 1 29 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.288 0.213 19108 25528 1 29 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.162 2.242 19108 25529 1 29 . 1 1 32 32 TYR H H 32 8.244 8.244 8.785 -0.541 19108 25530 1 29 . 1 1 33 33 LEU N N 33 125.428 125.428 123.513 1.915 19108 25531 1 29 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.370 -0.291 19108 25532 1 29 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.331 1.507 19108 25533 1 29 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.450 1.534 19108 25534 1 29 . 1 1 33 33 LEU H H 33 9.232 9.232 8.408 0.824 19108 25535 1 29 . 1 1 34 34 CYS N N 34 125.975 125.975 124.608 1.367 19108 25536 1 29 . 1 1 34 34 CYS HA H 34 5.006 5.006 4.983 0.023 19108 25537 1 29 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.368 0.777 19108 25538 1 29 . 1 1 34 34 CYS CB C 34 28.302 28.302 29.132 -0.830 19108 25539 1 29 . 1 1 34 34 CYS H H 34 9.640 9.640 8.895 0.745 19108 25540 1 29 . 1 1 35 35 TYR N N 35 121.183 121.183 120.592 0.591 19108 25541 1 29 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.731 0.757 19108 25542 1 29 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.038 -0.256 19108 25543 1 29 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.830 2.260 19108 25544 1 29 . 1 1 35 35 TYR H H 35 9.094 9.094 8.629 0.465 19108 25545 1 29 . 1 1 36 36 GLU N N 36 115.538 115.538 122.835 -7.297 19108 25546 1 29 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.886 0.549 19108 25547 1 29 . 1 1 36 36 GLU CA C 36 55.391 55.391 55.005 0.386 19108 25548 1 29 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.392 0.152 19108 25549 1 29 . 1 1 36 36 GLU H H 36 8.977 8.977 8.589 0.388 19108 25550 1 29 . 1 1 37 37 VAL N N 37 121.600 121.600 124.345 -2.745 19108 25551 1 29 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.464 0.695 19108 25552 1 29 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.310 0.738 19108 25553 1 29 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.918 1.152 19108 25554 1 29 . 1 1 37 37 VAL H H 37 9.271 9.271 9.103 0.168 19108 25555 1 29 . 1 1 38 38 GLU N N 38 125.227 125.227 127.844 -2.617 19108 25556 1 29 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.080 0.138 19108 25557 1 29 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.920 -0.668 19108 25558 1 29 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.633 1.294 19108 25559 1 29 . 1 1 38 38 GLU H H 38 9.114 9.114 8.831 0.283 19108 25560 1 29 . 1 1 39 39 ARG N N 39 124.872 124.872 126.271 -1.399 19108 25561 1 29 . 1 1 39 39 ARG HA H 39 5.365 5.365 3.582 1.783 19108 25562 1 29 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.781 -0.534 19108 25563 1 29 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.265 1.300 19108 25564 1 29 . 1 1 39 39 ARG H H 39 9.215 9.215 8.202 1.013 19108 25565 1 29 . 1 1 40 40 LEU N N 40 126.510 126.510 127.997 -1.487 19108 25566 1 29 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.661 0.092 19108 25567 1 29 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.234 0.089 19108 25568 1 29 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.237 -2.394 19108 25569 1 29 . 1 1 40 40 LEU H H 40 8.659 8.659 7.741 0.918 19108 25570 1 29 . 1 1 41 41 ASP N N 41 124.410 124.410 123.853 0.557 19108 25571 1 29 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.773 0.020 19108 25572 1 29 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.626 -0.408 19108 25573 1 29 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.802 -1.069 19108 25574 1 29 . 1 1 41 41 ASP H H 41 8.575 8.575 8.407 0.168 19108 25575 1 29 . 1 1 42 42 ASN N N 42 123.319 123.319 123.393 -0.074 19108 25576 1 29 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.393 0.027 19108 25577 1 29 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.642 0.531 19108 25578 1 29 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.488 -0.641 19108 25579 1 29 . 1 1 42 42 ASN H H 42 9.048 9.048 8.847 0.201 19108 25580 1 29 . 1 1 43 43 GLY N N 43 106.044 106.044 101.648 4.396 19108 25581 1 29 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.063 0.331 19108 25582 1 29 . 1 1 43 43 GLY H H 43 8.548 8.548 8.106 0.442 19108 25583 1 29 . 1 1 44 44 THR N N 44 115.893 115.893 120.449 -4.556 19108 25584 1 29 . 1 1 44 44 THR HA H 44 4.524 4.524 4.245 0.279 19108 25585 1 29 . 1 1 44 44 THR CA C 44 61.285 61.285 63.432 -2.147 19108 25586 1 29 . 1 1 44 44 THR CB C 44 70.572 70.572 68.866 1.706 19108 25587 1 29 . 1 1 44 44 THR H H 44 7.833 7.833 7.722 0.111 19108 25588 1 29 . 1 1 45 45 SER N N 45 119.589 119.589 123.485 -3.896 19108 25589 1 29 . 1 1 45 45 SER HA H 45 4.804 4.804 5.052 -0.248 19108 25590 1 29 . 1 1 45 45 SER CA C 45 58.080 58.080 57.148 0.932 19108 25591 1 29 . 1 1 45 45 SER CB C 45 64.265 64.265 63.896 0.369 19108 25592 1 29 . 1 1 45 45 SER H H 45 8.590 8.590 8.710 -0.120 19108 25593 1 29 . 1 1 46 46 VAL N N 46 125.827 125.827 128.060 -2.233 19108 25594 1 29 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.289 0.004 19108 25595 1 29 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.310 0.533 19108 25596 1 29 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.285 1.232 19108 25597 1 29 . 1 1 46 46 VAL H H 46 9.034 9.034 8.453 0.581 19108 25598 1 29 . 1 1 47 47 LYS N N 47 126.528 126.528 128.883 -2.355 19108 25599 1 29 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.852 -0.567 19108 25600 1 29 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.926 1.739 19108 25601 1 29 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.746 -0.954 19108 25602 1 29 . 1 1 47 47 LYS H H 47 8.738 8.738 8.442 0.296 19108 25603 1 29 . 1 1 48 48 MET N N 48 122.645 122.645 124.679 -2.034 19108 25604 1 29 . 1 1 48 48 MET HA H 48 5.195 5.195 4.650 0.545 19108 25605 1 29 . 1 1 48 48 MET CA C 48 54.747 54.747 55.302 -0.555 19108 25606 1 29 . 1 1 48 48 MET CB C 48 32.379 32.379 34.328 -1.949 19108 25607 1 29 . 1 1 48 48 MET H H 48 8.334 8.334 8.113 0.221 19108 25608 1 29 . 1 1 49 49 ASP N N 49 123.713 123.713 120.603 3.110 19108 25609 1 29 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.528 -0.104 19108 25610 1 29 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.587 1.023 19108 25611 1 29 . 1 1 49 49 ASP CB C 49 41.034 41.034 40.670 0.364 19108 25612 1 29 . 1 1 49 49 ASP H H 49 8.575 8.575 8.668 -0.093 19108 25613 1 29 . 1 1 50 50 GLN N N 50 117.540 117.540 120.238 -2.698 19108 25614 1 29 . 1 1 50 50 GLN H H 50 9.110 9.110 8.426 0.684 19108 25615 1 29 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.721 0.430 19108 25616 1 29 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.936 -2.102 19108 25617 1 29 . 1 1 51 51 HIS H H 51 8.031 8.031 8.289 -0.258 19108 25618 1 29 . 1 1 52 52 ARG N N 52 117.888 117.888 120.285 -2.397 19108 25619 1 29 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.488 0.749 19108 25620 1 29 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.031 0.024 19108 25621 1 29 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.391 0.663 19108 25622 1 29 . 1 1 52 52 ARG H H 52 7.685 7.685 7.415 0.270 19108 25623 1 29 . 1 1 53 53 GLY N N 53 108.573 108.573 105.030 3.543 19108 25624 1 29 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.325 0.383 19108 25625 1 29 . 1 1 53 53 GLY H H 53 7.529 7.529 6.946 0.583 19108 25626 1 29 . 1 1 54 54 PHE N N 54 113.146 113.146 115.764 -2.618 19108 25627 1 29 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.592 0.403 19108 25628 1 29 . 1 1 54 54 PHE CA C 54 55.856 55.856 55.822 0.034 19108 25629 1 29 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.761 2.602 19108 25630 1 29 . 1 1 54 54 PHE H H 54 8.287 8.287 8.104 0.183 19108 25631 1 29 . 1 1 55 55 LEU N N 55 119.389 119.389 119.079 0.310 19108 25632 1 29 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.241 0.454 19108 25633 1 29 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.473 0.239 19108 25634 1 29 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.915 0.713 19108 25635 1 29 . 1 1 55 55 LEU H H 55 9.452 9.452 8.778 0.674 19108 25636 1 29 . 1 1 56 56 HIS N N 56 114.176 114.176 115.317 -1.141 19108 25637 1 29 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.006 0.433 19108 25638 1 29 . 1 1 56 56 HIS CA C 56 53.465 53.465 52.431 1.034 19108 25639 1 29 . 1 1 56 56 HIS CB C 56 31.467 31.467 32.049 -0.582 19108 25640 1 29 . 1 1 56 56 HIS H H 56 7.709 7.709 8.041 -0.332 19108 25641 1 29 . 1 1 57 57 ASN N N 57 116.522 116.522 119.295 -2.773 19108 25642 1 29 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.599 -0.184 19108 25643 1 29 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.111 1.073 19108 25644 1 29 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.846 -1.183 19108 25645 1 29 . 1 1 57 57 ASN H H 57 8.684 8.684 7.917 0.767 19108 25646 1 29 . 1 1 58 58 GLN N N 58 122.850 122.850 121.027 1.823 19108 25647 1 29 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.734 0.655 19108 25648 1 29 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.773 -1.920 19108 25649 1 29 . 1 1 58 58 GLN CB C 58 30.382 30.382 27.570 2.812 19108 25650 1 29 . 1 1 58 58 GLN H H 58 9.099 9.099 8.292 0.807 19108 25651 1 29 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.135 0.165 19108 25652 1 29 . 1 1 59 59 ALA CA C 59 52.504 52.504 51.677 0.827 19108 25653 1 29 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.710 -0.290 19108 25654 1 29 . 1 1 60 60 LYS N N 60 119.998 119.998 117.879 2.119 19108 25655 1 29 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.137 -0.361 19108 25656 1 29 . 1 1 60 60 LYS CA C 60 56.301 56.301 57.014 -0.713 19108 25657 1 29 . 1 1 60 60 LYS CB C 60 32.816 32.816 31.178 1.638 19108 25658 1 29 . 1 1 60 60 LYS H H 60 8.344 8.344 8.174 0.170 19108 25659 1 29 . 1 1 61 61 ASN N N 61 119.688 119.688 121.675 -1.987 19108 25660 1 29 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.895 -0.440 19108 25661 1 29 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.287 0.617 19108 25662 1 29 . 1 1 61 61 ASN CB C 61 38.537 38.537 39.816 -1.279 19108 25663 1 29 . 1 1 61 61 ASN H H 61 8.643 8.643 8.999 -0.356 19108 25664 1 29 . 1 1 62 62 LEU N N 62 124.761 124.761 125.811 -1.050 19108 25665 1 29 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.262 -0.328 19108 25666 1 29 . 1 1 62 62 LEU CA C 62 57.245 57.245 55.325 1.920 19108 25667 1 29 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.486 -0.543 19108 25668 1 29 . 1 1 62 62 LEU H H 62 8.873 8.873 8.899 -0.026 19108 25669 1 29 . 1 1 63 63 LEU N N 63 120.312 120.312 120.941 -0.629 19108 25670 1 29 . 1 1 63 63 LEU HA H 63 4.199 4.199 3.973 0.226 19108 25671 1 29 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.516 -0.439 19108 25672 1 29 . 1 1 63 63 LEU CB C 63 41.257 41.257 42.106 -0.849 19108 25673 1 29 . 1 1 63 63 LEU H H 63 8.145 8.145 7.678 0.467 19108 25674 1 29 . 1 1 64 64 CYS N N 64 113.898 113.898 114.470 -0.572 19108 25675 1 29 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.673 -0.502 19108 25676 1 29 . 1 1 64 64 CYS CA C 64 57.784 57.784 57.920 -0.136 19108 25677 1 29 . 1 1 64 64 CYS CB C 64 28.718 28.718 30.082 -1.364 19108 25678 1 29 . 1 1 64 64 CYS H H 64 7.376 7.376 7.781 -0.405 19108 25679 1 29 . 1 1 65 65 GLY N N 65 108.894 108.894 110.419 -1.525 19108 25680 1 29 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.170 0.812 19108 25681 1 29 . 1 1 65 65 GLY H H 65 7.789 7.789 8.059 -0.270 19108 25682 1 29 . 1 1 66 66 PHE N N 66 118.711 118.711 118.815 -0.104 19108 25683 1 29 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.608 -0.691 19108 25684 1 29 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.510 -1.570 19108 25685 1 29 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.005 1.264 19108 25686 1 29 . 1 1 66 66 PHE H H 66 7.699 7.699 7.230 0.469 19108 25687 1 29 . 1 1 67 67 TYR N N 67 124.623 124.623 123.556 1.067 19108 25688 1 29 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.497 -0.197 19108 25689 1 29 . 1 1 67 67 TYR CA C 67 58.764 58.764 55.401 3.363 19108 25690 1 29 . 1 1 67 67 TYR CB C 67 38.153 38.153 40.316 -2.163 19108 25691 1 29 . 1 1 67 67 TYR H H 67 8.568 8.568 8.315 0.253 19108 25692 1 29 . 1 1 69 69 ARG N N 69 121.427 121.427 121.812 -0.385 19108 25693 1 29 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.623 2.434 19108 25694 1 29 . 1 1 69 69 ARG CB C 69 32.296 32.296 34.205 -1.909 19108 25695 1 29 . 1 1 69 69 ARG H H 69 8.313 8.313 7.878 0.435 19108 25696 1 29 . 1 1 70 70 HIS N N 70 128.351 128.351 119.907 8.444 19108 25697 1 29 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.973 -0.191 19108 25698 1 29 . 1 1 70 70 HIS CA C 70 56.716 56.716 54.059 2.657 19108 25699 1 29 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.616 1.160 19108 25700 1 29 . 1 1 70 70 HIS H H 70 9.182 9.182 7.673 1.509 19108 25701 1 29 . 1 1 71 71 ALA N N 71 125.649 125.649 125.659 -0.010 19108 25702 1 29 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.942 -0.585 19108 25703 1 29 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.763 1.019 19108 25704 1 29 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.587 -0.577 19108 25705 1 29 . 1 1 71 71 ALA H H 71 8.968 8.968 8.790 0.178 19108 25706 1 29 . 1 1 72 72 GLU N N 72 119.941 119.941 118.578 1.363 19108 25707 1 29 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.843 -0.866 19108 25708 1 29 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.224 1.732 19108 25709 1 29 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.412 -1.406 19108 25710 1 29 . 1 1 72 72 GLU H H 72 12.692 12.692 8.342 4.350 19108 25711 1 29 . 1 1 73 73 LEU N N 73 114.882 114.882 119.844 -4.962 19108 25712 1 29 . 1 1 73 73 LEU HA H 73 3.585 3.585 3.909 -0.324 19108 25713 1 29 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.533 -1.873 19108 25714 1 29 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.388 -2.143 19108 25715 1 29 . 1 1 73 73 LEU H H 73 6.637 6.637 8.072 -1.435 19108 25716 1 29 . 1 1 74 74 ARG N N 74 117.799 117.799 118.183 -0.384 19108 25717 1 29 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.899 0.143 19108 25718 1 29 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.988 -0.813 19108 25719 1 29 . 1 1 74 74 ARG H H 74 7.556 7.556 7.675 -0.119 19108 25720 1 29 . 1 1 75 75 PHE N N 75 119.783 119.783 119.625 0.158 19108 25721 1 29 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.176 -0.615 19108 25722 1 29 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.861 1.813 19108 25723 1 29 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.882 -0.844 19108 25724 1 29 . 1 1 75 75 PHE H H 75 8.233 8.233 7.886 0.347 19108 25725 1 29 . 1 1 76 76 LEU N N 76 119.526 119.526 120.330 -0.804 19108 25726 1 29 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.591 -0.033 19108 25727 1 29 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.492 0.547 19108 25728 1 29 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.424 -2.408 19108 25729 1 29 . 1 1 76 76 LEU H H 76 7.629 7.629 8.203 -0.574 19108 25730 1 29 . 1 1 77 77 ASP N N 77 118.215 118.215 119.619 -1.404 19108 25731 1 29 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.340 -0.182 19108 25732 1 29 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.422 -0.022 19108 25733 1 29 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.042 -0.674 19108 25734 1 29 . 1 1 77 77 ASP H H 77 8.190 8.190 7.614 0.576 19108 25735 1 29 . 1 1 78 78 LEU N N 78 117.496 117.496 119.167 -1.671 19108 25736 1 29 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.090 0.200 19108 25737 1 29 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.194 -0.209 19108 25738 1 29 . 1 1 78 78 LEU CB C 78 42.401 42.401 42.078 0.323 19108 25739 1 29 . 1 1 78 78 LEU H H 78 7.252 7.252 7.075 0.177 19108 25740 1 29 . 1 1 79 79 VAL N N 79 120.915 120.915 121.449 -0.534 19108 25741 1 29 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.493 -0.270 19108 25742 1 29 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.898 -0.370 19108 25743 1 29 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.123 -0.003 19108 25744 1 29 . 1 1 79 79 VAL H H 79 7.179 7.179 7.041 0.138 19108 25745 1 29 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.253 -0.278 19108 25746 1 29 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.765 1.022 19108 25747 1 29 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.077 -1.269 19108 25748 1 29 . 1 1 81 81 SER N N 81 112.727 112.727 112.183 0.544 19108 25749 1 29 . 1 1 81 81 SER HA H 81 4.314 4.314 4.273 0.041 19108 25750 1 29 . 1 1 81 81 SER CA C 81 60.618 60.618 60.624 -0.006 19108 25751 1 29 . 1 1 81 81 SER CB C 81 63.450 63.450 63.465 -0.015 19108 25752 1 29 . 1 1 81 81 SER H H 81 7.828 7.828 7.740 0.088 19108 25753 1 29 . 1 1 82 82 LEU N N 82 120.918 120.918 118.666 2.252 19108 25754 1 29 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.393 -0.519 19108 25755 1 29 . 1 1 82 82 LEU CA C 82 55.492 55.492 54.742 0.750 19108 25756 1 29 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.483 -3.272 19108 25757 1 29 . 1 1 82 82 LEU H H 82 7.912 7.912 7.752 0.160 19108 25758 1 29 . 1 1 83 83 GLN N N 83 111.397 111.397 118.539 -7.142 19108 25759 1 29 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.975 -0.167 19108 25760 1 29 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.256 -0.090 19108 25761 1 29 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.135 -0.467 19108 25762 1 29 . 1 1 83 83 GLN H H 83 7.458 7.458 7.584 -0.126 19108 25763 1 29 . 1 1 84 84 LEU N N 84 118.520 118.520 121.761 -3.241 19108 25764 1 29 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.082 -0.363 19108 25765 1 29 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.394 -1.652 19108 25766 1 29 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.513 -3.268 19108 25767 1 29 . 1 1 84 84 LEU H H 84 8.736 8.736 8.143 0.593 19108 25768 1 29 . 1 1 85 85 ASP N N 85 126.187 126.187 121.838 4.349 19108 25769 1 29 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.976 -0.093 19108 25770 1 29 . 1 1 85 85 ASP CA C 85 51.346 51.346 52.272 -0.925 19108 25771 1 29 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.325 1.623 19108 25772 1 29 . 1 1 85 85 ASP H H 85 8.415 8.415 8.409 0.006 19108 25773 1 29 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.535 0.393 19108 25774 1 29 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.822 -0.184 19108 25775 1 29 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.422 -0.136 19108 25776 1 29 . 1 1 87 87 ALA N N 87 121.030 121.030 117.788 3.242 19108 25777 1 29 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.123 0.295 19108 25778 1 29 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.456 -1.284 19108 25779 1 29 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.907 0.441 19108 25780 1 29 . 1 1 87 87 ALA H H 87 8.504 8.504 7.811 0.693 19108 25781 1 29 . 1 1 88 88 GLN N N 88 119.601 119.601 113.595 6.006 19108 25782 1 29 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.527 -0.005 19108 25783 1 29 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.467 -1.033 19108 25784 1 29 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.276 -3.227 19108 25785 1 29 . 1 1 88 88 GLN H H 88 8.125 8.125 7.557 0.568 19108 25786 1 29 . 1 1 89 89 ILE N N 89 118.195 118.195 118.417 -0.222 19108 25787 1 29 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.959 0.010 19108 25788 1 29 . 1 1 89 89 ILE CA C 89 59.541 59.541 58.880 0.661 19108 25789 1 29 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.236 1.016 19108 25790 1 29 . 1 1 89 89 ILE H H 89 8.099 8.099 8.566 -0.467 19108 25791 1 29 . 1 1 90 90 TYR N N 90 122.421 122.421 124.100 -1.679 19108 25792 1 29 . 1 1 90 90 TYR HA H 90 5.361 5.361 4.969 0.392 19108 25793 1 29 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.519 -1.479 19108 25794 1 29 . 1 1 90 90 TYR CB C 90 42.826 42.826 44.028 -1.202 19108 25795 1 29 . 1 1 90 90 TYR H H 90 8.892 8.892 8.316 0.576 19108 25796 1 29 . 1 1 91 91 ARG N N 91 121.043 121.043 120.812 0.231 19108 25797 1 29 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.951 0.292 19108 25798 1 29 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.747 -1.212 19108 25799 1 29 . 1 1 91 91 ARG CB C 91 33.132 33.132 34.287 -1.155 19108 25800 1 29 . 1 1 91 91 ARG H H 91 9.327 9.327 8.975 0.352 19108 25801 1 29 . 1 1 92 92 VAL N N 92 132.287 132.287 124.869 7.418 19108 25802 1 29 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.544 -0.620 19108 25803 1 29 . 1 1 92 92 VAL CA C 92 60.905 60.905 59.329 1.576 19108 25804 1 29 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.287 -0.434 19108 25805 1 29 . 1 1 92 92 VAL H H 92 9.668 9.668 8.374 1.294 19108 25806 1 29 . 1 1 93 93 THR N N 93 124.468 124.468 122.207 2.261 19108 25807 1 29 . 1 1 93 93 THR HA H 93 5.264 5.264 4.779 0.485 19108 25808 1 29 . 1 1 93 93 THR CA C 93 61.616 61.616 62.694 -1.078 19108 25809 1 29 . 1 1 93 93 THR CB C 93 70.082 70.082 70.588 -0.506 19108 25810 1 29 . 1 1 93 93 THR H H 93 9.381 9.381 8.722 0.659 19108 25811 1 29 . 1 1 94 94 TRP N N 94 124.491 124.491 128.443 -3.952 19108 25812 1 29 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.329 0.337 19108 25813 1 29 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.706 -2.501 19108 25814 1 29 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.154 2.514 19108 25815 1 29 . 1 1 94 94 TRP H H 94 9.071 9.071 8.614 0.457 19108 25816 1 29 . 1 1 95 95 PHE N N 95 122.179 122.179 123.025 -0.846 19108 25817 1 29 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.020 0.650 19108 25818 1 29 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.225 -0.451 19108 25819 1 29 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.408 -0.959 19108 25820 1 29 . 1 1 95 95 PHE H H 95 9.578 9.578 9.104 0.474 19108 25821 1 29 . 1 1 96 96 ILE N N 96 125.072 125.072 122.054 3.018 19108 25822 1 29 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.327 0.646 19108 25823 1 29 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.680 -1.253 19108 25824 1 29 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.694 4.379 19108 25825 1 29 . 1 1 96 96 ILE H H 96 9.816 9.816 8.694 1.122 19108 25826 1 29 . 1 1 97 97 SER N N 97 124.020 124.020 118.425 5.595 19108 25827 1 29 . 1 1 97 97 SER HA H 97 3.623 3.623 4.919 -1.296 19108 25828 1 29 . 1 1 97 97 SER CA C 97 61.750 61.750 60.291 1.459 19108 25829 1 29 . 1 1 97 97 SER CB C 97 63.711 63.711 64.011 -0.300 19108 25830 1 29 . 1 1 97 97 SER H H 97 9.156 9.156 8.501 0.655 19108 25831 1 29 . 1 1 98 98 TRP N N 98 114.829 114.829 122.217 -7.388 19108 25832 1 29 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.177 0.162 19108 25833 1 29 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.159 -2.488 19108 25834 1 29 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.214 3.537 19108 25835 1 29 . 1 1 98 98 TRP H H 98 6.619 6.619 7.854 -1.235 19108 25836 1 29 . 1 1 99 99 SER N N 99 115.444 115.444 119.411 -3.967 19108 25837 1 29 . 1 1 99 99 SER CA C 99 58.045 58.045 57.936 0.109 19108 25838 1 29 . 1 1 99 99 SER CB C 99 61.927 61.927 63.722 -1.795 19108 25839 1 29 . 1 1 99 99 SER H H 99 8.590 8.590 8.432 0.158 19108 25840 1 29 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.560 -1.635 19108 25841 1 29 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.231 2.565 19108 25842 1 29 . 1 1 101 101 CYS N N 101 121.768 121.768 116.893 4.875 19108 25843 1 29 . 1 1 101 101 CYS CA C 101 58.659 58.659 56.973 1.686 19108 25844 1 29 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.751 1.438 19108 25845 1 29 . 1 1 101 101 CYS H H 101 8.686 8.686 8.038 0.648 19108 25846 1 29 . 1 1 102 102 PHE N N 102 115.031 115.031 123.779 -8.748 19108 25847 1 29 . 1 1 102 102 PHE CA C 102 58.960 58.960 57.767 1.193 19108 25848 1 29 . 1 1 102 102 PHE CB C 102 40.157 40.157 38.959 1.198 19108 25849 1 29 . 1 1 102 102 PHE H H 102 9.318 9.318 8.612 0.706 19108 25850 1 29 . 1 1 103 103 SER N N 103 119.552 119.552 122.752 -3.200 19108 25851 1 29 . 1 1 103 103 SER HA H 103 3.713 3.713 4.157 -0.444 19108 25852 1 29 . 1 1 103 103 SER CA C 103 63.368 63.368 61.036 2.332 19108 25853 1 29 . 1 1 103 103 SER CB C 103 60.539 60.539 63.180 -2.641 19108 25854 1 29 . 1 1 103 103 SER H H 103 10.858 10.858 9.006 1.852 19108 25855 1 29 . 1 1 104 104 TRP N N 104 117.909 117.909 122.083 -4.174 19108 25856 1 29 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.708 -0.932 19108 25857 1 29 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.105 1.109 19108 25858 1 29 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.233 -1.347 19108 25859 1 29 . 1 1 104 104 TRP H H 104 7.880 7.880 8.236 -0.356 19108 25860 1 29 . 1 1 105 105 GLY N N 105 106.359 106.359 107.801 -1.442 19108 25861 1 29 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.430 -1.349 19108 25862 1 29 . 1 1 105 105 GLY H H 105 7.468 7.468 8.983 -1.515 19108 25863 1 29 . 1 1 106 106 CYS N N 106 120.359 120.359 121.073 -0.714 19108 25864 1 29 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.635 -0.776 19108 25865 1 29 . 1 1 106 106 CYS CA C 106 67.102 67.102 61.589 5.513 19108 25866 1 29 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.247 2.471 19108 25867 1 29 . 1 1 106 106 CYS H H 106 7.366 7.366 7.958 -0.592 19108 25868 1 29 . 1 1 107 107 ALA N N 107 119.725 119.725 124.395 -4.670 19108 25869 1 29 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.023 -0.158 19108 25870 1 29 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.320 1.614 19108 25871 1 29 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.126 0.317 19108 25872 1 29 . 1 1 107 107 ALA H H 107 8.719 8.719 8.773 -0.054 19108 25873 1 29 . 1 1 108 108 GLY N N 108 103.829 103.829 107.364 -3.535 19108 25874 1 29 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.156 -0.262 19108 25875 1 29 . 1 1 108 108 GLY H H 108 8.555 8.555 8.022 0.533 19108 25876 1 29 . 1 1 109 109 GLU N N 109 123.162 123.162 122.391 0.771 19108 25877 1 29 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.119 0.147 19108 25878 1 29 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.290 0.002 19108 25879 1 29 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.576 0.805 19108 25880 1 29 . 1 1 109 109 GLU H H 109 8.023 8.023 7.749 0.274 19108 25881 1 29 . 1 1 110 110 VAL N N 110 121.866 121.866 119.400 2.466 19108 25882 1 29 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.699 -0.000 19108 25883 1 29 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.470 0.573 19108 25884 1 29 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.445 -0.439 19108 25885 1 29 . 1 1 110 110 VAL H H 110 8.942 8.942 8.442 0.500 19108 25886 1 29 . 1 1 111 111 ARG N N 111 120.587 120.587 120.442 0.145 19108 25887 1 29 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.837 -0.051 19108 25888 1 29 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.750 0.331 19108 25889 1 29 . 1 1 111 111 ARG CB C 111 29.175 29.175 30.001 -0.826 19108 25890 1 29 . 1 1 111 111 ARG H H 111 8.653 8.653 8.418 0.235 19108 25891 1 29 . 1 1 112 112 ALA N N 112 120.687 120.687 121.393 -0.706 19108 25892 1 29 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.044 0.090 19108 25893 1 29 . 1 1 112 112 ALA CA C 112 55.418 55.418 55.135 0.283 19108 25894 1 29 . 1 1 112 112 ALA CB C 112 17.991 17.991 17.912 0.079 19108 25895 1 29 . 1 1 112 112 ALA H H 112 7.875 7.875 8.115 -0.240 19108 25896 1 29 . 1 1 113 113 PHE N N 113 118.950 118.950 119.223 -0.273 19108 25897 1 29 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.162 0.175 19108 25898 1 29 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.006 0.370 19108 25899 1 29 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.002 0.385 19108 25900 1 29 . 1 1 113 113 PHE H H 113 8.139 8.139 7.428 0.711 19108 25901 1 29 . 1 1 114 114 LEU N N 114 120.595 120.595 118.571 2.024 19108 25902 1 29 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.845 -0.045 19108 25903 1 29 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.504 -0.371 19108 25904 1 29 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.206 -0.297 19108 25905 1 29 . 1 1 114 114 LEU H H 114 8.639 8.639 8.351 0.288 19108 25906 1 29 . 1 1 115 115 GLN N N 115 117.666 117.666 117.488 0.178 19108 25907 1 29 . 1 1 115 115 GLN HA H 115 4.023 4.023 4.126 -0.103 19108 25908 1 29 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.449 -0.063 19108 25909 1 29 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.905 -0.367 19108 25910 1 29 . 1 1 115 115 GLN H H 115 8.167 8.167 8.448 -0.281 19108 25911 1 29 . 1 1 116 116 GLU N N 116 115.380 115.380 116.267 -0.887 19108 25912 1 29 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.408 -0.086 19108 25913 1 29 . 1 1 116 116 GLU CA C 116 57.062 57.062 55.716 1.346 19108 25914 1 29 . 1 1 116 116 GLU CB C 116 30.715 30.715 29.930 0.785 19108 25915 1 29 . 1 1 116 116 GLU H H 116 7.448 7.448 7.558 -0.110 19108 25916 1 29 . 1 1 117 117 ASN N N 117 119.831 119.831 117.755 2.076 19108 25917 1 29 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.820 0.245 19108 25918 1 29 . 1 1 117 117 ASN CA C 117 52.185 52.185 53.556 -1.371 19108 25919 1 29 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.506 -1.260 19108 25920 1 29 . 1 1 117 117 ASN H H 117 7.632 7.632 7.613 0.019 19108 25921 1 29 . 1 1 118 118 THR N N 118 111.041 111.041 115.974 -4.933 19108 25922 1 29 . 1 1 118 118 THR HA H 118 4.317 4.317 3.907 0.410 19108 25923 1 29 . 1 1 118 118 THR CA C 118 64.081 64.081 64.779 -0.698 19108 25924 1 29 . 1 1 118 118 THR CB C 118 68.767 68.767 68.767 0.000 19108 25925 1 29 . 1 1 118 118 THR H H 118 8.054 8.054 7.681 0.373 19108 25926 1 29 . 1 1 119 119 HIS N N 119 120.403 120.403 114.470 5.933 19108 25927 1 29 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.575 -0.286 19108 25928 1 29 . 1 1 119 119 HIS CA C 119 56.601 56.601 54.993 1.608 19108 25929 1 29 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.867 1.452 19108 25930 1 29 . 1 1 119 119 HIS H H 119 9.248 9.248 8.058 1.190 19108 25931 1 29 . 1 1 120 120 VAL N N 120 120.001 120.001 113.718 6.283 19108 25932 1 29 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.854 -0.328 19108 25933 1 29 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.719 2.171 19108 25934 1 29 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.150 -1.155 19108 25935 1 29 . 1 1 120 120 VAL H H 120 7.379 7.379 7.304 0.075 19108 25936 1 29 . 1 1 121 121 ARG N N 121 125.312 125.312 126.387 -1.075 19108 25937 1 29 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.487 0.323 19108 25938 1 29 . 1 1 121 121 ARG CA C 121 53.067 53.067 55.154 -2.087 19108 25939 1 29 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.548 -0.968 19108 25940 1 29 . 1 1 121 121 ARG H H 121 8.775 8.775 8.198 0.577 19108 25941 1 29 . 1 1 122 122 LEU N N 122 125.483 125.483 127.878 -2.395 19108 25942 1 29 . 1 1 122 122 LEU HA H 122 5.160 5.160 5.250 -0.090 19108 25943 1 29 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.017 0.284 19108 25944 1 29 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.455 2.217 19108 25945 1 29 . 1 1 122 122 LEU H H 122 9.345 9.345 8.511 0.834 19108 25946 1 29 . 1 1 123 123 ARG N N 123 127.748 127.748 125.409 2.339 19108 25947 1 29 . 1 1 123 123 ARG HA H 123 4.736 4.736 5.038 -0.302 19108 25948 1 29 . 1 1 123 123 ARG CA C 123 54.167 54.167 53.393 0.774 19108 25949 1 29 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.653 0.159 19108 25950 1 29 . 1 1 123 123 ARG H H 123 9.053 9.053 8.093 0.960 19108 25951 1 29 . 1 1 124 124 ILE N N 124 123.665 123.665 119.057 4.608 19108 25952 1 29 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.389 0.053 19108 25953 1 29 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.104 0.655 19108 25954 1 29 . 1 1 124 124 ILE CB C 124 41.893 41.893 42.512 -0.619 19108 25955 1 29 . 1 1 124 124 ILE H H 124 9.019 9.019 8.246 0.773 19108 25956 1 29 . 1 1 125 125 PHE N N 125 126.320 126.320 125.066 1.254 19108 25957 1 29 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.451 -0.286 19108 25958 1 29 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.551 0.363 19108 25959 1 29 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.274 0.545 19108 25960 1 29 . 1 1 125 125 PHE H H 125 9.359 9.359 8.211 1.148 19108 25961 1 29 . 1 1 126 126 ALA N N 126 124.526 124.526 127.602 -3.076 19108 25962 1 29 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.990 0.826 19108 25963 1 29 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.044 -2.174 19108 25964 1 29 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.258 1.076 19108 25965 1 29 . 1 1 126 126 ALA H H 126 9.091 9.091 8.430 0.661 19108 25966 1 29 . 1 1 127 127 ALA N N 127 126.272 126.272 130.266 -3.994 19108 25967 1 29 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.504 0.247 19108 25968 1 29 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.953 1.515 19108 25969 1 29 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.975 -0.370 19108 25970 1 29 . 1 1 127 127 ALA H H 127 9.049 9.049 9.149 -0.100 19108 25971 1 29 . 1 1 128 128 ARG N N 128 108.570 108.570 117.222 -8.652 19108 25972 1 29 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.024 0.390 19108 25973 1 29 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.518 3.688 19108 25974 1 29 . 1 1 128 128 ARG H H 128 6.741 6.741 8.202 -1.461 19108 25975 1 29 . 1 1 129 129 ILE N N 129 121.285 121.285 120.256 1.029 19108 25976 1 29 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.267 0.024 19108 25977 1 29 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.216 0.651 19108 25978 1 29 . 1 1 129 129 ILE CB C 129 38.829 38.829 39.686 -0.857 19108 25979 1 29 . 1 1 129 129 ILE H H 129 8.340 8.340 8.019 0.321 19108 25980 1 29 . 1 1 130 130 TYR N N 130 130.143 130.143 123.992 6.151 19108 25981 1 29 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.323 1.012 19108 25982 1 29 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.859 -0.934 19108 25983 1 29 . 1 1 130 130 TYR CB C 130 38.163 38.163 39.806 -1.643 19108 25984 1 29 . 1 1 130 130 TYR H H 130 8.870 8.870 8.152 0.718 19108 25985 1 29 . 1 1 131 131 ASP N N 131 123.662 123.662 117.038 6.624 19108 25986 1 29 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.483 -0.816 19108 25987 1 29 . 1 1 131 131 ASP CA C 131 54.713 54.713 54.292 0.421 19108 25988 1 29 . 1 1 131 131 ASP CB C 131 38.901 38.901 41.208 -2.307 19108 25989 1 29 . 1 1 131 131 ASP H H 131 8.123 8.123 8.584 -0.461 19108 25990 1 29 . 1 1 132 132 TYR N N 132 116.852 116.852 120.320 -3.468 19108 25991 1 29 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.949 -1.034 19108 25992 1 29 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.280 0.188 19108 25993 1 29 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.447 -0.410 19108 25994 1 29 . 1 1 132 132 TYR H H 132 6.448 6.448 8.375 -1.927 19108 25995 1 29 . 1 1 133 133 ASP N N 133 116.930 116.930 120.244 -3.314 19108 25996 1 29 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.173 -2.009 19108 25997 1 29 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.090 1.692 19108 25998 1 29 . 1 1 133 133 ASP H H 133 7.005 7.005 8.293 -1.288 19108 25999 1 29 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.438 -0.335 19108 26000 1 29 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.400 -0.699 19108 26001 1 29 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.855 0.235 19108 26002 1 29 . 1 1 135 135 LEU N N 135 120.252 120.252 118.535 1.717 19108 26003 1 29 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.180 0.518 19108 26004 1 29 . 1 1 135 135 LEU CA C 135 54.381 54.381 55.498 -1.117 19108 26005 1 29 . 1 1 135 135 LEU CB C 135 39.744 39.744 40.697 -0.953 19108 26006 1 29 . 1 1 135 135 LEU H H 135 8.456 8.456 7.784 0.672 19108 26007 1 29 . 1 1 136 136 TYR N N 136 117.432 117.432 119.047 -1.615 19108 26008 1 29 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.016 0.045 19108 26009 1 29 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.653 0.405 19108 26010 1 29 . 1 1 136 136 TYR CB C 136 37.580 37.580 36.935 0.645 19108 26011 1 29 . 1 1 136 136 TYR H H 136 8.028 8.028 8.643 -0.615 19108 26012 1 29 . 1 1 137 137 LYS N N 137 122.000 122.000 116.788 5.212 19108 26013 1 29 . 1 1 137 137 LYS CA C 137 60.299 60.299 58.559 1.740 19108 26014 1 29 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.044 -0.246 19108 26015 1 29 . 1 1 137 137 LYS H H 137 7.503 7.503 6.457 1.046 19108 26016 1 29 . 1 1 138 138 GLU N N 138 121.833 121.833 120.831 1.002 19108 26017 1 29 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.227 0.614 19108 26018 1 29 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.475 -2.006 19108 26019 1 29 . 1 1 138 138 GLU H H 138 8.752 8.752 7.817 0.935 19108 26020 1 29 . 1 1 139 139 ALA N N 139 119.592 119.592 122.271 -2.679 19108 26021 1 29 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.001 -0.155 19108 26022 1 29 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.267 -0.127 19108 26023 1 29 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.482 1.773 19108 26024 1 29 . 1 1 139 139 ALA H H 139 7.682 7.682 7.999 -0.317 19108 26025 1 29 . 1 1 140 140 LEU N N 140 116.268 116.268 119.289 -3.021 19108 26026 1 29 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.390 -0.197 19108 26027 1 29 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.663 -0.568 19108 26028 1 29 . 1 1 140 140 LEU H H 140 7.175 7.175 7.650 -0.475 19108 26029 1 29 . 1 1 141 141 GLN N N 141 117.550 117.550 117.541 0.009 19108 26030 1 29 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.874 -0.155 19108 26031 1 29 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.809 0.242 19108 26032 1 29 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.646 -1.052 19108 26033 1 29 . 1 1 141 141 GLN H H 141 8.322 8.322 7.572 0.750 19108 26034 1 29 . 1 1 142 142 MET N N 142 118.520 118.520 119.619 -1.099 19108 26035 1 29 . 1 1 142 142 MET HA H 142 4.135 4.135 3.996 0.139 19108 26036 1 29 . 1 1 142 142 MET CA C 142 59.051 59.051 58.875 0.176 19108 26037 1 29 . 1 1 142 142 MET CB C 142 33.170 33.170 32.337 0.833 19108 26038 1 29 . 1 1 142 142 MET H H 142 8.241 8.241 8.238 0.003 19108 26039 1 29 . 1 1 143 143 LEU N N 143 118.659 118.659 118.820 -0.161 19108 26040 1 29 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.036 0.256 19108 26041 1 29 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.592 0.523 19108 26042 1 29 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.727 -0.350 19108 26043 1 29 . 1 1 143 143 LEU H H 143 7.932 7.932 7.804 0.128 19108 26044 1 29 . 1 1 144 144 ARG N N 144 121.294 121.294 119.234 2.060 19108 26045 1 29 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.919 0.507 19108 26046 1 29 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.025 -0.036 19108 26047 1 29 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.419 -1.311 19108 26048 1 29 . 1 1 144 144 ARG H H 144 7.968 7.968 7.618 0.350 19108 26049 1 29 . 1 1 145 145 ASP N N 145 122.553 122.553 117.717 4.836 19108 26050 1 29 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.582 -0.153 19108 26051 1 29 . 1 1 145 145 ASP CA C 145 56.578 56.578 55.872 0.706 19108 26052 1 29 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.924 -1.334 19108 26053 1 29 . 1 1 145 145 ASP H H 145 8.868 8.868 7.727 1.141 19108 26054 1 29 . 1 1 146 146 ALA N N 146 120.102 120.102 120.811 -0.709 19108 26055 1 29 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.314 0.104 19108 26056 1 29 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.953 -0.919 19108 26057 1 29 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.595 -0.300 19108 26058 1 29 . 1 1 146 146 ALA H H 146 7.737 7.737 7.918 -0.181 19108 26059 1 29 . 1 1 147 147 GLY N N 147 105.039 105.039 104.473 0.566 19108 26060 1 29 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.753 0.111 19108 26061 1 29 . 1 1 147 147 GLY H H 147 7.966 7.966 7.994 -0.028 19108 26062 1 29 . 1 1 148 148 ALA N N 148 124.181 124.181 122.682 1.499 19108 26063 1 29 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.129 0.560 19108 26064 1 29 . 1 1 148 148 ALA CA C 148 51.459 51.459 52.258 -0.799 19108 26065 1 29 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.987 -1.508 19108 26066 1 29 . 1 1 148 148 ALA H H 148 8.051 8.051 7.340 0.711 19108 26067 1 29 . 1 1 149 149 GLN N N 149 122.185 122.185 117.675 4.510 19108 26068 1 29 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.670 -0.231 19108 26069 1 29 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.984 -0.029 19108 26070 1 29 . 1 1 149 149 GLN CB C 149 29.421 29.421 32.361 -2.940 19108 26071 1 29 . 1 1 149 149 GLN H H 149 7.953 7.953 7.834 0.119 19108 26072 1 29 . 1 1 150 150 VAL N N 150 127.399 127.399 120.502 6.897 19108 26073 1 29 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.705 0.047 19108 26074 1 29 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.698 0.741 19108 26075 1 29 . 1 1 150 150 VAL CB C 150 33.178 33.178 33.445 -0.267 19108 26076 1 29 . 1 1 150 150 VAL H H 150 8.658 8.658 8.444 0.214 19108 26077 1 29 . 1 1 151 151 SER N N 151 120.616 120.616 120.222 0.394 19108 26078 1 29 . 1 1 151 151 SER HA H 151 5.179 5.179 4.835 0.344 19108 26079 1 29 . 1 1 151 151 SER CA C 151 56.981 56.981 57.921 -0.940 19108 26080 1 29 . 1 1 151 151 SER CB C 151 66.538 66.538 67.317 -0.779 19108 26081 1 29 . 1 1 151 151 SER H H 151 8.737 8.737 8.366 0.371 19108 26082 1 29 . 1 1 152 152 ILE N N 152 123.180 123.180 123.045 0.135 19108 26083 1 29 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.417 0.730 19108 26084 1 29 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.588 -4.070 19108 26085 1 29 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.555 -2.475 19108 26086 1 29 . 1 1 152 152 ILE H H 152 8.672 8.672 8.514 0.158 19108 26087 1 29 . 1 1 153 153 MET N N 153 123.477 123.477 129.659 -6.182 19108 26088 1 29 . 1 1 153 153 MET HA H 153 3.886 3.886 4.513 -0.627 19108 26089 1 29 . 1 1 153 153 MET CA C 153 59.053 59.053 57.171 1.882 19108 26090 1 29 . 1 1 153 153 MET CB C 153 34.793 34.793 33.486 1.307 19108 26091 1 29 . 1 1 153 153 MET H H 153 8.314 8.314 8.093 0.221 19108 26092 1 29 . 1 1 154 154 THR N N 154 117.621 117.621 119.288 -1.667 19108 26093 1 29 . 1 1 154 154 THR HA H 154 4.951 4.951 4.708 0.243 19108 26094 1 29 . 1 1 154 154 THR CA C 154 60.436 60.436 60.799 -0.363 19108 26095 1 29 . 1 1 154 154 THR CB C 154 72.370 72.370 71.205 1.165 19108 26096 1 29 . 1 1 154 154 THR H H 154 9.630 9.630 7.940 1.690 19108 26097 1 29 . 1 1 155 155 TYR N N 155 121.751 121.751 124.056 -2.305 19108 26098 1 29 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.221 -0.122 19108 26099 1 29 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.608 1.831 19108 26100 1 29 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.542 0.744 19108 26101 1 29 . 1 1 155 155 TYR H H 155 9.769 9.769 8.948 0.821 19108 26102 1 29 . 1 1 156 156 ASP N N 156 115.555 115.555 118.347 -2.792 19108 26103 1 29 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.992 0.116 19108 26104 1 29 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.780 0.480 19108 26105 1 29 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.413 0.204 19108 26106 1 29 . 1 1 156 156 ASP H H 156 8.230 8.230 8.332 -0.102 19108 26107 1 29 . 1 1 157 157 GLU N N 157 117.678 117.678 120.180 -2.502 19108 26108 1 29 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.067 -0.197 19108 26109 1 29 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.395 1.112 19108 26110 1 29 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.104 1.944 19108 26111 1 29 . 1 1 157 157 GLU H H 157 7.470 7.470 8.447 -0.977 19108 26112 1 29 . 1 1 158 158 PHE N N 158 119.869 119.869 118.900 0.969 19108 26113 1 29 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.052 -0.223 19108 26114 1 29 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.650 1.126 19108 26115 1 29 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.840 1.067 19108 26116 1 29 . 1 1 158 158 PHE H H 158 8.077 8.077 7.943 0.134 19108 26117 1 29 . 1 1 159 159 LYS N N 159 118.859 118.859 119.744 -0.885 19108 26118 1 29 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.865 0.052 19108 26119 1 29 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.784 -0.553 19108 26120 1 29 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.132 -0.169 19108 26121 1 29 . 1 1 159 159 LYS H H 159 8.273 8.273 7.727 0.546 19108 26122 1 29 . 1 1 160 160 HIS N N 160 115.889 115.889 118.740 -2.851 19108 26123 1 29 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.268 -0.109 19108 26124 1 29 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.043 0.938 19108 26125 1 29 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.492 -1.562 19108 26126 1 29 . 1 1 160 160 HIS H H 160 7.695 7.695 7.723 -0.028 19108 26127 1 29 . 1 1 161 161 CYS N N 161 118.188 118.188 118.286 -0.098 19108 26128 1 29 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.208 0.581 19108 26129 1 29 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.413 1.381 19108 26130 1 29 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.310 1.576 19108 26131 1 29 . 1 1 161 161 CYS H H 161 7.885 7.885 7.824 0.061 19108 26132 1 29 . 1 1 162 162 TRP N N 162 122.741 122.741 121.786 0.955 19108 26133 1 29 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.517 0.247 19108 26134 1 29 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.498 0.219 19108 26135 1 29 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.902 -0.309 19108 26136 1 29 . 1 1 162 162 TRP H H 162 8.040 8.040 7.694 0.346 19108 26137 1 29 . 1 1 163 163 ASP N N 163 113.796 113.796 118.086 -4.290 19108 26138 1 29 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.435 0.691 19108 26139 1 29 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.489 1.440 19108 26140 1 29 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.119 0.416 19108 26141 1 29 . 1 1 163 163 ASP H H 163 8.319 8.319 7.771 0.548 19108 26142 1 29 . 1 1 164 164 THR N N 164 112.008 112.008 112.356 -0.348 19108 26143 1 29 . 1 1 164 164 THR HA H 164 3.803 3.803 3.954 -0.151 19108 26144 1 29 . 1 1 164 164 THR CA C 164 65.164 65.164 64.396 0.768 19108 26145 1 29 . 1 1 164 164 THR CB C 164 70.171 70.171 69.325 0.846 19108 26146 1 29 . 1 1 164 164 THR H H 164 7.494 7.494 7.346 0.148 19108 26147 1 29 . 1 1 165 165 PHE N N 165 115.079 115.079 117.861 -2.782 19108 26148 1 29 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.502 0.033 19108 26149 1 29 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.654 0.315 19108 26150 1 29 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.316 0.052 19108 26151 1 29 . 1 1 165 165 PHE H H 165 8.235 8.235 7.267 0.968 19108 26152 1 29 . 1 1 166 166 VAL N N 166 118.432 118.432 118.631 -0.199 19108 26153 1 29 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.333 -0.308 19108 26154 1 29 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.691 0.309 19108 26155 1 29 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.929 -3.574 19108 26156 1 29 . 1 1 166 166 VAL H H 166 6.838 6.838 6.974 -0.136 19108 26157 1 29 . 1 1 167 167 ASP N N 167 126.263 126.263 129.036 -2.773 19108 26158 1 29 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.562 -0.714 19108 26159 1 29 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.071 -2.441 19108 26160 1 29 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.569 -1.489 19108 26161 1 29 . 1 1 167 167 ASP H H 167 8.498 8.498 8.455 0.043 19108 26162 1 29 . 1 1 168 168 HIS N N 168 119.890 119.890 116.728 3.162 19108 26163 1 29 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.225 0.121 19108 26164 1 29 . 1 1 168 168 HIS CA C 168 56.575 56.575 57.558 -0.983 19108 26165 1 29 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.549 2.913 19108 26166 1 29 . 1 1 168 168 HIS H H 168 6.977 6.977 7.749 -0.772 19108 26167 1 29 . 1 1 169 169 GLN N N 169 119.254 119.254 114.905 4.349 19108 26168 1 29 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.958 -0.235 19108 26169 1 29 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.437 0.333 19108 26170 1 29 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.196 -0.675 19108 26171 1 29 . 1 1 169 169 GLN H H 169 9.126 9.126 8.479 0.647 19108 26172 1 29 . 1 1 170 170 GLY N N 170 111.911 111.911 101.423 10.488 19108 26173 1 29 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.079 0.745 19108 26174 1 29 . 1 1 170 170 GLY H H 170 11.556 11.556 5.938 5.618 19108 26175 1 29 . 1 1 171 171 CYS N N 171 123.390 123.390 120.230 3.160 19108 26176 1 29 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.915 -0.199 19108 26177 1 29 . 1 1 171 171 CYS CA C 171 57.785 57.785 56.054 1.730 19108 26178 1 29 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.412 -0.508 19108 26179 1 29 . 1 1 171 171 CYS H H 171 8.044 8.044 7.299 0.745 19108 26180 1 29 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.596 0.022 19108 26181 1 29 . 1 1 172 172 PRO CA C 172 61.858 61.858 63.304 -1.446 19108 26182 1 29 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.070 0.459 19108 26183 1 29 . 1 1 173 173 PHE N N 173 121.101 121.101 122.807 -1.706 19108 26184 1 29 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.179 -1.523 19108 26185 1 29 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.307 1.234 19108 26186 1 29 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.675 0.071 19108 26187 1 29 . 1 1 173 173 PHE H H 173 8.842 8.842 7.896 0.946 19108 26188 1 29 . 1 1 174 174 GLN N N 174 129.493 129.493 125.985 3.508 19108 26189 1 29 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.118 0.199 19108 26190 1 29 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.173 -1.378 19108 26191 1 29 . 1 1 174 174 GLN CB C 174 29.097 29.097 27.841 1.256 19108 26192 1 29 . 1 1 174 174 GLN H H 174 7.250 7.250 7.951 -0.701 19108 26193 1 29 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.823 -0.909 19108 26194 1 29 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.325 0.098 19108 26195 1 29 . 1 1 176 176 TRP N N 176 118.133 118.133 122.618 -4.485 19108 26196 1 29 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.909 -0.276 19108 26197 1 29 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.638 0.524 19108 26198 1 29 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.714 -0.825 19108 26199 1 29 . 1 1 176 176 TRP H H 176 5.591 5.591 6.886 -1.295 19108 26200 1 29 . 1 1 177 177 ASP N N 177 121.814 121.814 119.332 2.482 19108 26201 1 29 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.545 -0.148 19108 26202 1 29 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.106 2.066 19108 26203 1 29 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.408 1.267 19108 26204 1 29 . 1 1 177 177 ASP H H 177 8.848 8.848 8.487 0.361 19108 26205 1 29 . 1 1 178 178 GLY N N 178 111.875 111.875 111.552 0.323 19108 26206 1 29 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.416 0.250 19108 26207 1 29 . 1 1 178 178 GLY H H 178 8.987 8.987 8.290 0.697 19108 26208 1 29 . 1 1 179 179 LEU N N 179 121.470 121.470 124.043 -2.573 19108 26209 1 29 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.066 0.422 19108 26210 1 29 . 1 1 179 179 LEU CA C 179 60.782 60.782 57.936 2.846 19108 26211 1 29 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.721 0.508 19108 26212 1 29 . 1 1 179 179 LEU H H 179 7.148 7.148 8.236 -1.088 19108 26213 1 29 . 1 1 180 180 ASP N N 180 119.476 119.476 118.811 0.665 19108 26214 1 29 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.286 0.206 19108 26215 1 29 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.198 -0.259 19108 26216 1 29 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.604 1.109 19108 26217 1 29 . 1 1 180 180 ASP H H 180 8.874 8.874 8.274 0.600 19108 26218 1 29 . 1 1 181 181 GLU N N 181 122.379 122.379 120.297 2.082 19108 26219 1 29 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.946 0.066 19108 26220 1 29 . 1 1 181 181 GLU CA C 181 59.969 59.969 60.047 -0.078 19108 26221 1 29 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.491 -0.566 19108 26222 1 29 . 1 1 181 181 GLU H H 181 8.712 8.712 8.320 0.392 19108 26223 1 29 . 1 1 182 182 HIS N N 182 118.572 118.572 118.168 0.404 19108 26224 1 29 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.270 0.484 19108 26225 1 29 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.895 -0.866 19108 26226 1 29 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.679 -0.831 19108 26227 1 29 . 1 1 182 182 HIS H H 182 8.854 8.854 8.600 0.254 19108 26228 1 29 . 1 1 183 183 SER N N 183 116.329 116.329 114.925 1.404 19108 26229 1 29 . 1 1 183 183 SER HA H 183 4.554 4.554 4.191 0.363 19108 26230 1 29 . 1 1 183 183 SER CA C 183 63.604 63.604 62.437 1.167 19108 26231 1 29 . 1 1 183 183 SER CB C 183 65.216 65.216 63.012 2.204 19108 26232 1 29 . 1 1 183 183 SER H H 183 8.665 8.665 8.086 0.579 19108 26233 1 29 . 1 1 184 184 GLN N N 184 122.215 122.215 121.443 0.772 19108 26234 1 29 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.074 0.173 19108 26235 1 29 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.855 0.105 19108 26236 1 29 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.536 0.399 19108 26237 1 29 . 1 1 184 184 GLN H H 184 8.714 8.714 7.964 0.750 19108 26238 1 29 . 1 1 185 185 ALA N N 185 124.432 124.432 123.071 1.361 19108 26239 1 29 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.069 0.215 19108 26240 1 29 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.089 0.380 19108 26241 1 29 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.136 0.238 19108 26242 1 29 . 1 1 185 185 ALA H H 185 8.258 8.258 7.850 0.408 19108 26243 1 29 . 1 1 186 186 LEU N N 186 119.941 119.941 119.061 0.880 19108 26244 1 29 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.803 0.409 19108 26245 1 29 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.476 -0.260 19108 26246 1 29 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.708 1.056 19108 26247 1 29 . 1 1 186 186 LEU H H 186 8.953 8.953 8.736 0.217 19108 26248 1 29 . 1 1 187 187 SER N N 187 116.987 116.987 114.505 2.482 19108 26249 1 29 . 1 1 187 187 SER HA H 187 4.039 4.039 4.095 -0.056 19108 26250 1 29 . 1 1 187 187 SER CA C 187 63.302 63.302 62.262 1.040 19108 26251 1 29 . 1 1 187 187 SER CB C 187 62.760 62.760 62.932 -0.172 19108 26252 1 29 . 1 1 187 187 SER H H 187 8.935 8.935 8.425 0.510 19108 26253 1 29 . 1 1 188 188 GLY N N 188 110.215 110.215 110.079 0.136 19108 26254 1 29 . 1 1 188 188 GLY CA C 188 47.154 47.154 47.028 0.126 19108 26255 1 29 . 1 1 188 188 GLY H H 188 8.228 8.228 8.314 -0.086 19108 26256 1 29 . 1 1 189 189 ARG N N 189 122.994 122.994 122.391 0.603 19108 26257 1 29 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.037 0.200 19108 26258 1 29 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.076 0.483 19108 26259 1 29 . 1 1 189 189 ARG CB C 189 30.395 30.395 30.249 0.146 19108 26260 1 29 . 1 1 189 189 ARG H H 189 7.838 7.838 8.066 -0.228 19108 26261 1 29 . 1 1 190 190 LEU N N 190 119.765 119.765 120.150 -0.385 19108 26262 1 29 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.030 0.208 19108 26263 1 29 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.342 -0.122 19108 26264 1 29 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.953 -0.711 19108 26265 1 29 . 1 1 190 190 LEU H H 190 8.791 8.791 7.810 0.981 19108 26266 1 29 . 1 1 191 191 ARG N N 191 118.427 118.427 118.136 0.291 19108 26267 1 29 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.939 0.104 19108 26268 1 29 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.479 0.303 19108 26269 1 29 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.067 0.124 19108 26270 1 29 . 1 1 191 191 ARG H H 191 8.305 8.305 8.784 -0.479 19108 26271 1 29 . 1 1 192 192 ALA N N 192 119.414 119.414 122.760 -3.346 19108 26272 1 29 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.121 0.096 19108 26273 1 29 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.633 0.083 19108 26274 1 29 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.512 -0.347 19108 26275 1 29 . 1 1 192 192 ALA H H 192 7.414 7.414 7.825 -0.411 19108 26276 1 29 . 1 1 193 193 ILE N N 193 118.949 118.949 118.988 -0.039 19108 26277 1 29 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.771 -0.001 19108 26278 1 29 . 1 1 193 193 ILE CA C 193 64.838 64.838 64.488 0.350 19108 26279 1 29 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.145 1.301 19108 26280 1 29 . 1 1 193 193 ILE H H 193 7.896 7.896 7.679 0.217 19108 26281 1 29 . 1 1 194 194 LEU N N 194 116.435 116.435 118.190 -1.755 19108 26282 1 29 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.091 0.182 19108 26283 1 29 . 1 1 194 194 LEU CA C 194 55.713 55.713 57.063 -1.350 19108 26284 1 29 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.377 -1.905 19108 26285 1 29 . 1 1 194 194 LEU H H 194 8.296 8.296 7.585 0.711 19108 26286 1 29 . 1 1 195 195 GLN N N 195 118.580 118.580 117.470 1.110 19108 26287 1 29 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.308 0.027 19108 26288 1 29 . 1 1 195 195 GLN CA C 195 56.417 56.417 55.957 0.460 19108 26289 1 29 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.238 1.359 19108 26290 1 29 . 1 1 195 195 GLN H H 195 7.921 7.921 7.582 0.339 19108 26291 1 29 . 1 1 196 196 ASN N N 196 118.941 118.941 121.100 -2.159 19108 26292 1 29 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.879 -0.177 19108 26293 1 29 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.482 -0.032 19108 26294 1 29 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.233 -0.408 19108 26295 1 29 . 1 1 196 196 ASN H H 196 8.078 8.078 8.252 -0.174 19108 26296 1 29 . 1 1 197 197 GLN N N 197 120.984 120.984 121.097 -0.113 19108 26297 1 29 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.399 -0.043 19108 26298 1 29 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.243 -0.077 19108 26299 1 29 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.621 -0.125 19108 26300 1 29 . 1 1 197 197 GLN H H 197 8.526 8.526 8.194 0.332 19108 26301 1 29 . 1 1 198 198 GLY N N 198 109.565 109.565 109.079 0.486 19108 26302 1 29 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.308 0.076 19108 26303 1 29 . 1 1 198 198 GLY H H 198 8.467 8.467 8.651 -0.184 19108 26304 1 30 . 1 1 2 2 GLU HA H 2 4.374 4.374 4.403 -0.029 19108 26305 1 30 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.459 -0.111 19108 26306 1 30 . 1 1 2 2 GLU CB C 2 30.453 30.453 31.133 -0.680 19108 26307 1 30 . 1 1 3 3 ALA N N 3 125.932 125.932 122.689 3.243 19108 26308 1 30 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.408 -0.058 19108 26309 1 30 . 1 1 3 3 ALA CA C 3 52.407 52.407 51.829 0.578 19108 26310 1 30 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.461 0.119 19108 26311 1 30 . 1 1 3 3 ALA H H 3 8.526 8.526 8.566 -0.040 19108 26312 1 30 . 1 1 4 4 SER N N 4 116.729 116.729 114.918 1.811 19108 26313 1 30 . 1 1 4 4 SER HA H 4 4.766 4.766 4.681 0.085 19108 26314 1 30 . 1 1 4 4 SER CA C 4 56.283 56.283 56.612 -0.329 19108 26315 1 30 . 1 1 4 4 SER CB C 4 63.278 63.278 62.240 1.038 19108 26316 1 30 . 1 1 4 4 SER H H 4 8.397 8.397 7.858 0.539 19108 26317 1 30 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.379 0.067 19108 26318 1 30 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.696 -0.390 19108 26319 1 30 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.280 -0.183 19108 26320 1 30 . 1 1 6 6 ALA N N 6 124.236 124.236 125.789 -1.553 19108 26321 1 30 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.354 -0.021 19108 26322 1 30 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.168 0.395 19108 26323 1 30 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.621 -0.287 19108 26324 1 30 . 1 1 6 6 ALA H H 6 8.411 8.411 8.490 -0.079 19108 26325 1 30 . 1 1 7 7 SER N N 7 114.497 114.497 114.870 -0.373 19108 26326 1 30 . 1 1 7 7 SER HA H 7 4.475 4.475 4.271 0.204 19108 26327 1 30 . 1 1 7 7 SER CA C 7 58.258 58.258 58.870 -0.612 19108 26328 1 30 . 1 1 7 7 SER CB C 7 64.174 64.174 63.029 1.145 19108 26329 1 30 . 1 1 7 7 SER H H 7 8.195 8.195 8.182 0.013 19108 26330 1 30 . 1 1 8 8 GLY N N 8 110.497 110.497 107.864 2.633 19108 26331 1 30 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.744 0.102 19108 26332 1 30 . 1 1 8 8 GLY H H 8 8.226 8.226 8.253 -0.027 19108 26333 1 30 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.448 0.001 19108 26334 1 30 . 1 1 9 9 PRO CA C 9 63.434 63.434 62.835 0.599 19108 26335 1 30 . 1 1 9 9 PRO CB C 9 32.193 32.193 30.776 1.417 19108 26336 1 30 . 1 1 10 10 ARG N N 10 120.534 120.534 122.086 -1.552 19108 26337 1 30 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.555 -0.214 19108 26338 1 30 . 1 1 10 10 ARG CA C 10 56.016 56.016 54.664 1.352 19108 26339 1 30 . 1 1 10 10 ARG CB C 10 30.809 30.809 32.812 -2.003 19108 26340 1 30 . 1 1 10 10 ARG H H 10 8.469 8.469 8.075 0.394 19108 26341 1 30 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.653 0.172 19108 26342 1 30 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.265 0.196 19108 26343 1 30 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.046 1.145 19108 26344 1 30 . 1 1 12 12 LEU N N 12 122.284 122.284 123.630 -1.346 19108 26345 1 30 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.530 0.079 19108 26346 1 30 . 1 1 12 12 LEU CB C 12 45.030 45.030 44.304 0.726 19108 26347 1 30 . 1 1 12 12 LEU H H 12 8.250 8.250 7.806 0.444 19108 26348 1 30 . 1 1 13 13 MET N N 13 121.493 121.493 120.282 1.211 19108 26349 1 30 . 1 1 13 13 MET HA H 13 4.038 4.038 4.324 -0.286 19108 26350 1 30 . 1 1 13 13 MET CA C 13 54.449 54.449 55.677 -1.228 19108 26351 1 30 . 1 1 13 13 MET CB C 13 35.015 35.015 33.073 1.942 19108 26352 1 30 . 1 1 13 13 MET H H 13 8.955 8.955 8.407 0.548 19108 26353 1 30 . 1 1 14 14 ASP N N 14 127.113 127.113 128.974 -1.861 19108 26354 1 30 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.578 -0.478 19108 26355 1 30 . 1 1 14 14 ASP CA C 14 52.456 52.456 54.310 -1.854 19108 26356 1 30 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.922 0.588 19108 26357 1 30 . 1 1 14 14 ASP H H 14 8.514 8.514 8.629 -0.115 19108 26358 1 30 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.135 -0.282 19108 26359 1 30 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.424 0.230 19108 26360 1 30 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.083 -0.432 19108 26361 1 30 . 1 1 16 16 HIS N N 16 115.776 115.776 116.893 -1.117 19108 26362 1 30 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.391 -0.113 19108 26363 1 30 . 1 1 16 16 HIS CA C 16 58.918 58.918 60.051 -1.133 19108 26364 1 30 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.738 -0.530 19108 26365 1 30 . 1 1 16 16 HIS H H 16 8.591 8.591 8.565 0.026 19108 26366 1 30 . 1 1 17 17 ILE N N 17 122.675 122.675 118.692 3.983 19108 26367 1 30 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.616 -0.132 19108 26368 1 30 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.942 -1.716 19108 26369 1 30 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.904 -0.807 19108 26370 1 30 . 1 1 17 17 ILE H H 17 7.558 7.558 8.170 -0.612 19108 26371 1 30 . 1 1 18 18 PHE N N 18 120.513 120.513 120.865 -0.352 19108 26372 1 30 . 1 1 18 18 PHE HA H 18 4.003 4.003 3.991 0.012 19108 26373 1 30 . 1 1 18 18 PHE CA C 18 62.804 62.804 62.305 0.499 19108 26374 1 30 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.239 0.401 19108 26375 1 30 . 1 1 18 18 PHE H H 18 7.831 7.831 8.552 -0.721 19108 26376 1 30 . 1 1 19 19 THR N N 19 114.555 114.555 114.146 0.409 19108 26377 1 30 . 1 1 19 19 THR HA H 19 3.657 3.657 3.942 -0.285 19108 26378 1 30 . 1 1 19 19 THR CA C 19 66.485 66.485 66.114 0.371 19108 26379 1 30 . 1 1 19 19 THR CB C 19 68.345 68.345 68.091 0.254 19108 26380 1 30 . 1 1 19 19 THR H H 19 9.036 9.036 8.549 0.487 19108 26381 1 30 . 1 1 20 20 SER N N 20 113.030 113.030 117.287 -4.257 19108 26382 1 30 . 1 1 20 20 SER HA H 20 4.062 4.062 4.001 0.061 19108 26383 1 30 . 1 1 20 20 SER CA C 20 60.610 60.610 60.737 -0.127 19108 26384 1 30 . 1 1 20 20 SER CB C 20 63.843 63.843 62.841 1.002 19108 26385 1 30 . 1 1 20 20 SER H H 20 7.809 7.809 8.160 -0.351 19108 26386 1 30 . 1 1 21 21 ASN N N 21 115.629 115.629 119.550 -3.921 19108 26387 1 30 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.146 0.265 19108 26388 1 30 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.790 1.199 19108 26389 1 30 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.364 3.216 19108 26390 1 30 . 1 1 21 21 ASN H H 21 7.362 7.362 8.000 -0.638 19108 26391 1 30 . 1 1 22 22 PHE N N 22 117.773 117.773 113.359 4.414 19108 26392 1 30 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.551 -0.278 19108 26393 1 30 . 1 1 22 22 PHE CA C 22 56.460 56.460 56.918 -0.458 19108 26394 1 30 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.056 -1.226 19108 26395 1 30 . 1 1 22 22 PHE H H 22 8.296 8.296 7.715 0.581 19108 26396 1 30 . 1 1 23 23 ASN N N 23 115.026 115.026 119.833 -4.807 19108 26397 1 30 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.465 0.064 19108 26398 1 30 . 1 1 23 23 ASN CA C 23 53.642 53.642 54.082 -0.440 19108 26399 1 30 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.670 -2.047 19108 26400 1 30 . 1 1 23 23 ASN H H 23 6.097 6.097 7.655 -1.558 19108 26401 1 30 . 1 1 24 24 ASN N N 24 122.900 122.900 115.464 7.436 19108 26402 1 30 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.280 0.153 19108 26403 1 30 . 1 1 24 24 ASN CA C 24 53.273 53.273 53.980 -0.707 19108 26404 1 30 . 1 1 24 24 ASN CB C 24 37.892 37.892 37.925 -0.033 19108 26405 1 30 . 1 1 24 24 ASN H H 24 7.083 7.083 7.914 -0.831 19108 26406 1 30 . 1 1 25 25 GLY N N 25 105.587 105.587 109.235 -3.648 19108 26407 1 30 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.012 -0.147 19108 26408 1 30 . 1 1 25 25 GLY H H 25 8.520 8.520 8.294 0.226 19108 26409 1 30 . 1 1 26 26 ILE N N 26 120.182 120.182 115.974 4.208 19108 26410 1 30 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.178 -0.004 19108 26411 1 30 . 1 1 26 26 ILE CA C 26 60.443 60.443 60.805 -0.362 19108 26412 1 30 . 1 1 26 26 ILE CB C 26 40.515 40.515 38.355 2.160 19108 26413 1 30 . 1 1 26 26 ILE H H 26 6.944 6.944 7.377 -0.433 19108 26414 1 30 . 1 1 27 27 GLY N N 27 111.665 111.665 105.522 6.143 19108 26415 1 30 . 1 1 27 27 GLY CA C 27 45.319 45.319 44.399 0.920 19108 26416 1 30 . 1 1 27 27 GLY H H 27 8.457 8.457 8.116 0.341 19108 26417 1 30 . 1 1 28 28 ARG N N 28 117.565 117.565 119.299 -1.734 19108 26418 1 30 . 1 1 28 28 ARG CA C 28 53.565 53.565 56.330 -2.765 19108 26419 1 30 . 1 1 28 28 ARG H H 28 6.741 6.741 7.632 -0.891 19108 26420 1 30 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.625 1.378 19108 26421 1 30 . 1 1 29 29 HIS CB C 29 29.044 29.044 31.746 -2.702 19108 26422 1 30 . 1 1 29 29 HIS H H 29 8.636 8.636 8.442 0.194 19108 26423 1 30 . 1 1 30 30 LYS N N 30 119.344 119.344 119.266 0.078 19108 26424 1 30 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.445 -0.024 19108 26425 1 30 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.721 1.143 19108 26426 1 30 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.042 2.149 19108 26427 1 30 . 1 1 30 30 LYS H H 30 7.870 7.870 7.840 0.030 19108 26428 1 30 . 1 1 31 31 THR N N 31 118.233 118.233 114.262 3.971 19108 26429 1 30 . 1 1 31 31 THR HA H 31 4.125 4.125 3.429 0.696 19108 26430 1 30 . 1 1 31 31 THR CA C 31 63.175 63.175 62.805 0.370 19108 26431 1 30 . 1 1 31 31 THR H H 31 8.436 8.436 7.651 0.785 19108 26432 1 30 . 1 1 32 32 TYR N N 32 124.026 124.026 125.308 -1.282 19108 26433 1 30 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.695 0.241 19108 26434 1 30 . 1 1 32 32 TYR CA C 32 57.501 57.501 58.031 -0.530 19108 26435 1 30 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.219 2.185 19108 26436 1 30 . 1 1 32 32 TYR H H 32 8.244 8.244 8.439 -0.195 19108 26437 1 30 . 1 1 33 33 LEU N N 33 125.428 125.428 126.100 -0.672 19108 26438 1 30 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.375 -0.296 19108 26439 1 30 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.592 1.246 19108 26440 1 30 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.205 1.779 19108 26441 1 30 . 1 1 33 33 LEU H H 33 9.232 9.232 8.217 1.015 19108 26442 1 30 . 1 1 34 34 CYS N N 34 125.975 125.975 126.127 -0.152 19108 26443 1 30 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.051 -0.045 19108 26444 1 30 . 1 1 34 34 CYS CA C 34 57.145 57.145 55.215 1.930 19108 26445 1 30 . 1 1 34 34 CYS CB C 34 28.302 28.302 28.453 -0.150 19108 26446 1 30 . 1 1 34 34 CYS H H 34 9.640 9.640 9.030 0.610 19108 26447 1 30 . 1 1 35 35 TYR N N 35 121.183 121.183 117.813 3.370 19108 26448 1 30 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.892 0.596 19108 26449 1 30 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.340 -0.558 19108 26450 1 30 . 1 1 35 35 TYR CB C 35 43.090 43.090 41.301 1.789 19108 26451 1 30 . 1 1 35 35 TYR H H 35 9.094 9.094 8.566 0.528 19108 26452 1 30 . 1 1 36 36 GLU N N 36 115.538 115.538 122.554 -7.016 19108 26453 1 30 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.864 0.571 19108 26454 1 30 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.965 0.426 19108 26455 1 30 . 1 1 36 36 GLU CB C 36 34.544 34.544 33.962 0.582 19108 26456 1 30 . 1 1 36 36 GLU H H 36 8.977 8.977 8.725 0.252 19108 26457 1 30 . 1 1 37 37 VAL N N 37 121.600 121.600 124.646 -3.046 19108 26458 1 30 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.764 0.395 19108 26459 1 30 . 1 1 37 37 VAL CA C 37 62.048 62.048 60.313 1.735 19108 26460 1 30 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.595 0.475 19108 26461 1 30 . 1 1 37 37 VAL H H 37 9.271 9.271 9.171 0.100 19108 26462 1 30 . 1 1 38 38 GLU N N 38 125.227 125.227 125.911 -0.684 19108 26463 1 30 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.062 0.156 19108 26464 1 30 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.697 -0.445 19108 26465 1 30 . 1 1 38 38 GLU CB C 38 34.927 34.927 32.930 1.997 19108 26466 1 30 . 1 1 38 38 GLU H H 38 9.114 9.114 8.350 0.764 19108 26467 1 30 . 1 1 39 39 ARG N N 39 124.872 124.872 125.787 -0.915 19108 26468 1 30 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.307 1.058 19108 26469 1 30 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.380 -0.133 19108 26470 1 30 . 1 1 39 39 ARG CB C 39 32.565 32.565 31.785 0.780 19108 26471 1 30 . 1 1 39 39 ARG H H 39 9.215 9.215 8.271 0.944 19108 26472 1 30 . 1 1 40 40 LEU N N 40 126.510 126.510 125.211 1.299 19108 26473 1 30 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.216 0.537 19108 26474 1 30 . 1 1 40 40 LEU CA C 40 54.323 54.323 55.228 -0.905 19108 26475 1 30 . 1 1 40 40 LEU CB C 40 40.843 40.843 41.544 -0.701 19108 26476 1 30 . 1 1 40 40 LEU H H 40 8.659 8.659 7.771 0.888 19108 26477 1 30 . 1 1 41 41 ASP N N 41 124.410 124.410 123.500 0.910 19108 26478 1 30 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.681 0.112 19108 26479 1 30 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.921 -0.703 19108 26480 1 30 . 1 1 41 41 ASP CB C 41 41.733 41.733 41.988 -0.255 19108 26481 1 30 . 1 1 41 41 ASP H H 41 8.575 8.575 8.188 0.387 19108 26482 1 30 . 1 1 42 42 ASN N N 42 123.319 123.319 122.777 0.542 19108 26483 1 30 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.365 0.055 19108 26484 1 30 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.920 0.253 19108 26485 1 30 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.072 -0.225 19108 26486 1 30 . 1 1 42 42 ASN H H 42 9.048 9.048 8.970 0.078 19108 26487 1 30 . 1 1 43 43 GLY N N 43 106.044 106.044 102.349 3.695 19108 26488 1 30 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.865 -0.471 19108 26489 1 30 . 1 1 43 43 GLY H H 43 8.548 8.548 8.506 0.042 19108 26490 1 30 . 1 1 44 44 THR N N 44 115.893 115.893 119.552 -3.659 19108 26491 1 30 . 1 1 44 44 THR HA H 44 4.524 4.524 4.478 0.046 19108 26492 1 30 . 1 1 44 44 THR CA C 44 61.285 61.285 61.667 -0.382 19108 26493 1 30 . 1 1 44 44 THR CB C 44 70.572 70.572 69.755 0.817 19108 26494 1 30 . 1 1 44 44 THR H H 44 7.833 7.833 7.741 0.092 19108 26495 1 30 . 1 1 45 45 SER N N 45 119.589 119.589 122.808 -3.219 19108 26496 1 30 . 1 1 45 45 SER HA H 45 4.804 4.804 4.660 0.144 19108 26497 1 30 . 1 1 45 45 SER CA C 45 58.080 58.080 58.011 0.069 19108 26498 1 30 . 1 1 45 45 SER CB C 45 64.265 64.265 64.013 0.253 19108 26499 1 30 . 1 1 45 45 SER H H 45 8.590 8.590 8.588 0.002 19108 26500 1 30 . 1 1 46 46 VAL N N 46 125.827 125.827 124.229 1.598 19108 26501 1 30 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.276 0.017 19108 26502 1 30 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.597 0.246 19108 26503 1 30 . 1 1 46 46 VAL CB C 46 33.517 33.517 34.937 -1.420 19108 26504 1 30 . 1 1 46 46 VAL H H 46 9.034 9.034 8.331 0.703 19108 26505 1 30 . 1 1 47 47 LYS N N 47 126.528 126.528 125.879 0.649 19108 26506 1 30 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.750 -0.465 19108 26507 1 30 . 1 1 47 47 LYS CA C 47 57.665 57.665 55.555 2.110 19108 26508 1 30 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.453 -0.661 19108 26509 1 30 . 1 1 47 47 LYS H H 47 8.738 8.738 8.227 0.511 19108 26510 1 30 . 1 1 48 48 MET N N 48 122.645 122.645 121.455 1.190 19108 26511 1 30 . 1 1 48 48 MET HA H 48 5.195 5.195 4.642 0.553 19108 26512 1 30 . 1 1 48 48 MET CA C 48 54.747 54.747 55.389 -0.642 19108 26513 1 30 . 1 1 48 48 MET CB C 48 32.379 32.379 34.433 -2.054 19108 26514 1 30 . 1 1 48 48 MET H H 48 8.334 8.334 8.158 0.176 19108 26515 1 30 . 1 1 49 49 ASP N N 49 123.713 123.713 120.849 2.864 19108 26516 1 30 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.618 -0.194 19108 26517 1 30 . 1 1 49 49 ASP CA C 49 56.610 56.610 55.981 0.629 19108 26518 1 30 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.095 -0.061 19108 26519 1 30 . 1 1 49 49 ASP H H 49 8.575 8.575 8.699 -0.124 19108 26520 1 30 . 1 1 50 50 GLN N N 50 117.540 117.540 119.557 -2.017 19108 26521 1 30 . 1 1 50 50 GLN H H 50 9.110 9.110 8.544 0.566 19108 26522 1 30 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.719 0.432 19108 26523 1 30 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.749 -1.915 19108 26524 1 30 . 1 1 51 51 HIS H H 51 8.031 8.031 8.528 -0.497 19108 26525 1 30 . 1 1 52 52 ARG N N 52 117.888 117.888 121.083 -3.195 19108 26526 1 30 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.555 0.682 19108 26527 1 30 . 1 1 52 52 ARG CA C 52 55.055 55.055 55.088 -0.033 19108 26528 1 30 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.376 0.678 19108 26529 1 30 . 1 1 52 52 ARG H H 52 7.685 7.685 7.547 0.138 19108 26530 1 30 . 1 1 53 53 GLY N N 53 108.573 108.573 105.763 2.810 19108 26531 1 30 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.350 0.358 19108 26532 1 30 . 1 1 53 53 GLY H H 53 7.529 7.529 7.340 0.189 19108 26533 1 30 . 1 1 54 54 PHE N N 54 113.146 113.146 115.466 -2.320 19108 26534 1 30 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.416 0.579 19108 26535 1 30 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.667 -0.811 19108 26536 1 30 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.636 2.727 19108 26537 1 30 . 1 1 54 54 PHE H H 54 8.287 8.287 7.849 0.438 19108 26538 1 30 . 1 1 55 55 LEU N N 55 119.389 119.389 115.981 3.408 19108 26539 1 30 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.762 -0.067 19108 26540 1 30 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.315 0.397 19108 26541 1 30 . 1 1 55 55 LEU CB C 55 46.628 46.628 45.363 1.265 19108 26542 1 30 . 1 1 55 55 LEU H H 55 9.452 9.452 8.262 1.190 19108 26543 1 30 . 1 1 56 56 HIS N N 56 114.176 114.176 116.184 -2.008 19108 26544 1 30 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.284 0.155 19108 26545 1 30 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.312 0.153 19108 26546 1 30 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.331 0.136 19108 26547 1 30 . 1 1 56 56 HIS H H 56 7.709 7.709 7.269 0.440 19108 26548 1 30 . 1 1 57 57 ASN N N 57 116.522 116.522 117.544 -1.022 19108 26549 1 30 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.559 -0.144 19108 26550 1 30 . 1 1 57 57 ASN CA C 57 54.184 54.184 52.496 1.688 19108 26551 1 30 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.697 -1.035 19108 26552 1 30 . 1 1 57 57 ASN H H 57 8.684 8.684 7.940 0.744 19108 26553 1 30 . 1 1 58 58 GLN N N 58 122.850 122.850 117.781 5.069 19108 26554 1 30 . 1 1 58 58 GLN HA H 58 4.389 4.389 3.770 0.619 19108 26555 1 30 . 1 1 58 58 GLN CA C 58 54.853 54.853 58.093 -3.240 19108 26556 1 30 . 1 1 58 58 GLN CB C 58 30.382 30.382 28.430 1.952 19108 26557 1 30 . 1 1 58 58 GLN H H 58 9.099 9.099 8.257 0.842 19108 26558 1 30 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.030 0.270 19108 26559 1 30 . 1 1 59 59 ALA CA C 59 52.504 52.504 53.473 -0.969 19108 26560 1 30 . 1 1 59 59 ALA CB C 59 19.421 19.421 17.855 1.566 19108 26561 1 30 . 1 1 60 60 LYS N N 60 119.998 119.998 121.596 -1.598 19108 26562 1 30 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.472 -0.696 19108 26563 1 30 . 1 1 60 60 LYS CA C 60 56.301 56.301 55.677 0.624 19108 26564 1 30 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.240 0.576 19108 26565 1 30 . 1 1 60 60 LYS H H 60 8.344 8.344 8.537 -0.193 19108 26566 1 30 . 1 1 61 61 ASN N N 61 119.688 119.688 120.236 -0.548 19108 26567 1 30 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.999 -0.544 19108 26568 1 30 . 1 1 61 61 ASN CA C 61 52.904 52.904 52.594 0.310 19108 26569 1 30 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.084 0.453 19108 26570 1 30 . 1 1 61 61 ASN H H 61 8.643 8.643 8.786 -0.143 19108 26571 1 30 . 1 1 62 62 LEU N N 62 124.761 124.761 119.636 5.125 19108 26572 1 30 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.385 -0.451 19108 26573 1 30 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.450 0.795 19108 26574 1 30 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.781 -0.838 19108 26575 1 30 . 1 1 62 62 LEU H H 62 8.873 8.873 7.509 1.364 19108 26576 1 30 . 1 1 63 63 LEU N N 63 120.312 120.312 119.961 0.351 19108 26577 1 30 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.191 0.008 19108 26578 1 30 . 1 1 63 63 LEU CA C 63 57.077 57.077 56.890 0.187 19108 26579 1 30 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.646 -0.389 19108 26580 1 30 . 1 1 63 63 LEU H H 63 8.145 8.145 7.994 0.151 19108 26581 1 30 . 1 1 64 64 CYS N N 64 113.898 113.898 117.267 -3.369 19108 26582 1 30 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.572 -0.401 19108 26583 1 30 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.305 -1.521 19108 26584 1 30 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.654 0.064 19108 26585 1 30 . 1 1 64 64 CYS H H 64 7.376 7.376 8.325 -0.949 19108 26586 1 30 . 1 1 65 65 GLY N N 65 108.894 108.894 109.571 -0.677 19108 26587 1 30 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.898 0.085 19108 26588 1 30 . 1 1 65 65 GLY H H 65 7.789 7.789 8.127 -0.338 19108 26589 1 30 . 1 1 66 66 PHE N N 66 118.711 118.711 118.375 0.336 19108 26590 1 30 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.254 -0.337 19108 26591 1 30 . 1 1 66 66 PHE CA C 66 55.940 55.940 59.044 -3.104 19108 26592 1 30 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.674 0.594 19108 26593 1 30 . 1 1 66 66 PHE H H 66 7.699 7.699 7.654 0.045 19108 26594 1 30 . 1 1 67 67 TYR N N 67 124.623 124.623 118.188 6.435 19108 26595 1 30 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.407 -0.107 19108 26596 1 30 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.873 0.891 19108 26597 1 30 . 1 1 67 67 TYR CB C 67 38.153 38.153 38.453 -0.300 19108 26598 1 30 . 1 1 67 67 TYR H H 67 8.568 8.568 7.462 1.106 19108 26599 1 30 . 1 1 69 69 ARG N N 69 121.427 121.427 119.874 1.553 19108 26600 1 30 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.713 2.344 19108 26601 1 30 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.614 -0.317 19108 26602 1 30 . 1 1 69 69 ARG H H 69 8.313 8.313 8.000 0.313 19108 26603 1 30 . 1 1 70 70 HIS N N 70 128.351 128.351 119.540 8.811 19108 26604 1 30 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.424 0.358 19108 26605 1 30 . 1 1 70 70 HIS CA C 70 56.716 56.716 56.208 0.508 19108 26606 1 30 . 1 1 70 70 HIS CB C 70 31.776 31.776 29.983 1.793 19108 26607 1 30 . 1 1 70 70 HIS H H 70 9.182 9.182 8.328 0.854 19108 26608 1 30 . 1 1 71 71 ALA N N 71 125.649 125.649 122.525 3.124 19108 26609 1 30 . 1 1 71 71 ALA HA H 71 3.357 3.357 4.163 -0.806 19108 26610 1 30 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.302 1.480 19108 26611 1 30 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.920 -0.910 19108 26612 1 30 . 1 1 71 71 ALA H H 71 8.968 8.968 9.061 -0.093 19108 26613 1 30 . 1 1 72 72 GLU N N 72 119.941 119.941 119.482 0.459 19108 26614 1 30 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.983 -1.006 19108 26615 1 30 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.723 1.233 19108 26616 1 30 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.275 -1.269 19108 26617 1 30 . 1 1 72 72 GLU H H 72 12.692 12.692 8.333 4.359 19108 26618 1 30 . 1 1 73 73 LEU N N 73 114.882 114.882 119.405 -4.523 19108 26619 1 30 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.229 -0.644 19108 26620 1 30 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.255 -1.595 19108 26621 1 30 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.503 -2.258 19108 26622 1 30 . 1 1 73 73 LEU H H 73 6.637 6.637 8.175 -1.538 19108 26623 1 30 . 1 1 74 74 ARG N N 74 117.799 117.799 118.553 -0.754 19108 26624 1 30 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.989 0.053 19108 26625 1 30 . 1 1 74 74 ARG CB C 74 29.175 29.175 30.243 -1.068 19108 26626 1 30 . 1 1 74 74 ARG H H 74 7.556 7.556 7.422 0.134 19108 26627 1 30 . 1 1 75 75 PHE N N 75 119.783 119.783 119.056 0.727 19108 26628 1 30 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.245 -0.684 19108 26629 1 30 . 1 1 75 75 PHE CA C 75 61.674 61.674 59.218 2.455 19108 26630 1 30 . 1 1 75 75 PHE CB C 75 38.038 38.038 39.354 -1.316 19108 26631 1 30 . 1 1 75 75 PHE H H 75 8.233 8.233 7.762 0.471 19108 26632 1 30 . 1 1 76 76 LEU N N 76 119.526 119.526 120.874 -1.348 19108 26633 1 30 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.214 0.344 19108 26634 1 30 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.278 0.761 19108 26635 1 30 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.057 -2.041 19108 26636 1 30 . 1 1 76 76 LEU H H 76 7.629 7.629 8.010 -0.381 19108 26637 1 30 . 1 1 77 77 ASP N N 77 118.215 118.215 119.864 -1.649 19108 26638 1 30 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.267 -0.109 19108 26639 1 30 . 1 1 77 77 ASP CA C 77 56.400 56.400 57.215 -0.815 19108 26640 1 30 . 1 1 77 77 ASP CB C 77 40.368 40.368 40.825 -0.457 19108 26641 1 30 . 1 1 77 77 ASP H H 77 8.190 8.190 7.847 0.343 19108 26642 1 30 . 1 1 78 78 LEU N N 78 117.496 117.496 117.658 -0.162 19108 26643 1 30 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.270 0.020 19108 26644 1 30 . 1 1 78 78 LEU CA C 78 54.985 54.985 56.262 -1.277 19108 26645 1 30 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.003 1.398 19108 26646 1 30 . 1 1 78 78 LEU H H 78 7.252 7.252 7.108 0.144 19108 26647 1 30 . 1 1 79 79 VAL N N 79 120.915 120.915 122.524 -1.609 19108 26648 1 30 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.655 -0.432 19108 26649 1 30 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.425 0.103 19108 26650 1 30 . 1 1 79 79 VAL CB C 79 29.120 29.120 28.474 0.646 19108 26651 1 30 . 1 1 79 79 VAL H H 79 7.179 7.179 8.673 -1.494 19108 26652 1 30 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.272 -0.297 19108 26653 1 30 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.928 0.859 19108 26654 1 30 . 1 1 80 80 PRO CB C 80 29.808 29.808 31.149 -1.341 19108 26655 1 30 . 1 1 81 81 SER N N 81 112.727 112.727 111.600 1.127 19108 26656 1 30 . 1 1 81 81 SER HA H 81 4.314 4.314 4.295 0.019 19108 26657 1 30 . 1 1 81 81 SER CA C 81 60.618 60.618 60.584 0.034 19108 26658 1 30 . 1 1 81 81 SER CB C 81 63.450 63.450 63.406 0.044 19108 26659 1 30 . 1 1 81 81 SER H H 81 7.828 7.828 7.799 0.029 19108 26660 1 30 . 1 1 82 82 LEU N N 82 120.918 120.918 120.481 0.437 19108 26661 1 30 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.508 -0.634 19108 26662 1 30 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.525 -0.033 19108 26663 1 30 . 1 1 82 82 LEU CB C 82 40.211 40.211 43.525 -3.314 19108 26664 1 30 . 1 1 82 82 LEU H H 82 7.912 7.912 7.888 0.024 19108 26665 1 30 . 1 1 83 83 GLN N N 83 111.397 111.397 117.687 -6.290 19108 26666 1 30 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.936 -0.128 19108 26667 1 30 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.061 0.105 19108 26668 1 30 . 1 1 83 83 GLN CB C 83 26.668 26.668 27.110 -0.442 19108 26669 1 30 . 1 1 83 83 GLN H H 83 7.458 7.458 7.791 -0.333 19108 26670 1 30 . 1 1 84 84 LEU N N 84 118.520 118.520 119.172 -0.652 19108 26671 1 30 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.068 -0.349 19108 26672 1 30 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.633 -1.891 19108 26673 1 30 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.462 -3.217 19108 26674 1 30 . 1 1 84 84 LEU H H 84 8.736 8.736 8.158 0.578 19108 26675 1 30 . 1 1 85 85 ASP N N 85 126.187 126.187 122.877 3.310 19108 26676 1 30 . 1 1 85 85 ASP HA H 85 4.883 4.883 5.066 -0.183 19108 26677 1 30 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.917 -0.571 19108 26678 1 30 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.153 1.796 19108 26679 1 30 . 1 1 85 85 ASP H H 85 8.415 8.415 8.321 0.094 19108 26680 1 30 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.412 0.516 19108 26681 1 30 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.920 -0.282 19108 26682 1 30 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.545 -0.259 19108 26683 1 30 . 1 1 87 87 ALA N N 87 121.030 121.030 119.007 2.023 19108 26684 1 30 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.103 0.315 19108 26685 1 30 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.607 -1.435 19108 26686 1 30 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.724 0.624 19108 26687 1 30 . 1 1 87 87 ALA H H 87 8.504 8.504 7.924 0.580 19108 26688 1 30 . 1 1 88 88 GLN N N 88 119.601 119.601 114.169 5.432 19108 26689 1 30 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.523 -0.001 19108 26690 1 30 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.342 -0.908 19108 26691 1 30 . 1 1 88 88 GLN CB C 88 30.049 30.049 33.130 -3.081 19108 26692 1 30 . 1 1 88 88 GLN H H 88 8.125 8.125 7.661 0.464 19108 26693 1 30 . 1 1 89 89 ILE N N 89 118.195 118.195 119.147 -0.952 19108 26694 1 30 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.954 0.015 19108 26695 1 30 . 1 1 89 89 ILE CA C 89 59.541 59.541 58.873 0.668 19108 26696 1 30 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.303 0.949 19108 26697 1 30 . 1 1 89 89 ILE H H 89 8.099 8.099 8.277 -0.178 19108 26698 1 30 . 1 1 90 90 TYR N N 90 122.421 122.421 122.465 -0.044 19108 26699 1 30 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.141 0.220 19108 26700 1 30 . 1 1 90 90 TYR CA C 90 56.040 56.040 56.951 -0.911 19108 26701 1 30 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.538 -0.712 19108 26702 1 30 . 1 1 90 90 TYR H H 90 8.892 8.892 8.519 0.373 19108 26703 1 30 . 1 1 91 91 ARG N N 91 121.043 121.043 120.737 0.306 19108 26704 1 30 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.647 0.596 19108 26705 1 30 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.582 -1.047 19108 26706 1 30 . 1 1 91 91 ARG CB C 91 33.132 33.132 32.837 0.295 19108 26707 1 30 . 1 1 91 91 ARG H H 91 9.327 9.327 8.680 0.647 19108 26708 1 30 . 1 1 92 92 VAL N N 92 132.287 132.287 128.000 4.287 19108 26709 1 30 . 1 1 92 92 VAL HA H 92 4.924 4.924 4.885 0.039 19108 26710 1 30 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.219 -0.314 19108 26711 1 30 . 1 1 92 92 VAL CB C 92 32.853 32.853 32.517 0.336 19108 26712 1 30 . 1 1 92 92 VAL H H 92 9.668 9.668 8.791 0.877 19108 26713 1 30 . 1 1 93 93 THR N N 93 124.468 124.468 124.713 -0.245 19108 26714 1 30 . 1 1 93 93 THR HA H 93 5.264 5.264 4.788 0.476 19108 26715 1 30 . 1 1 93 93 THR CA C 93 61.616 61.616 62.102 -0.486 19108 26716 1 30 . 1 1 93 93 THR CB C 93 70.082 70.082 69.506 0.576 19108 26717 1 30 . 1 1 93 93 THR H H 93 9.381 9.381 9.252 0.129 19108 26718 1 30 . 1 1 94 94 TRP N N 94 124.491 124.491 127.865 -3.374 19108 26719 1 30 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.361 0.305 19108 26720 1 30 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.756 -2.551 19108 26721 1 30 . 1 1 94 94 TRP CB C 94 33.668 33.668 31.070 2.598 19108 26722 1 30 . 1 1 94 94 TRP H H 94 9.071 9.071 9.308 -0.237 19108 26723 1 30 . 1 1 95 95 PHE N N 95 122.179 122.179 122.960 -0.781 19108 26724 1 30 . 1 1 95 95 PHE HA H 95 5.670 5.670 5.067 0.603 19108 26725 1 30 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.494 -0.720 19108 26726 1 30 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.803 -1.354 19108 26727 1 30 . 1 1 95 95 PHE H H 95 9.578 9.578 8.995 0.583 19108 26728 1 30 . 1 1 96 96 ILE N N 96 125.072 125.072 121.536 3.536 19108 26729 1 30 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.420 0.553 19108 26730 1 30 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.708 -1.281 19108 26731 1 30 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.672 4.401 19108 26732 1 30 . 1 1 96 96 ILE H H 96 9.816 9.816 8.468 1.348 19108 26733 1 30 . 1 1 97 97 SER N N 97 124.020 124.020 118.434 5.586 19108 26734 1 30 . 1 1 97 97 SER HA H 97 3.623 3.623 4.911 -1.288 19108 26735 1 30 . 1 1 97 97 SER CA C 97 61.750 61.750 59.656 2.094 19108 26736 1 30 . 1 1 97 97 SER CB C 97 63.711 63.711 64.161 -0.450 19108 26737 1 30 . 1 1 97 97 SER H H 97 9.156 9.156 8.590 0.566 19108 26738 1 30 . 1 1 98 98 TRP N N 98 114.829 114.829 121.876 -7.047 19108 26739 1 30 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.175 0.164 19108 26740 1 30 . 1 1 98 98 TRP CA C 98 54.671 54.671 57.646 -2.975 19108 26741 1 30 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.272 3.479 19108 26742 1 30 . 1 1 98 98 TRP H H 98 6.619 6.619 7.929 -1.310 19108 26743 1 30 . 1 1 99 99 SER N N 99 115.444 115.444 119.899 -4.455 19108 26744 1 30 . 1 1 99 99 SER CA C 99 58.045 58.045 58.492 -0.447 19108 26745 1 30 . 1 1 99 99 SER CB C 99 61.927 61.927 63.738 -1.811 19108 26746 1 30 . 1 1 99 99 SER H H 99 8.590 8.590 8.373 0.217 19108 26747 1 30 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.862 -1.938 19108 26748 1 30 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.240 2.556 19108 26749 1 30 . 1 1 101 101 CYS N N 101 121.768 121.768 114.407 7.361 19108 26750 1 30 . 1 1 101 101 CYS CA C 101 58.659 58.659 58.690 -0.030 19108 26751 1 30 . 1 1 101 101 CYS CB C 101 30.189 30.189 29.773 0.416 19108 26752 1 30 . 1 1 101 101 CYS H H 101 8.686 8.686 8.137 0.549 19108 26753 1 30 . 1 1 102 102 PHE N N 102 115.031 115.031 123.699 -8.668 19108 26754 1 30 . 1 1 102 102 PHE CA C 102 58.960 58.960 55.185 3.775 19108 26755 1 30 . 1 1 102 102 PHE CB C 102 40.157 40.157 42.057 -1.900 19108 26756 1 30 . 1 1 102 102 PHE H H 102 9.318 9.318 8.033 1.285 19108 26757 1 30 . 1 1 103 103 SER N N 103 119.552 119.552 124.002 -4.450 19108 26758 1 30 . 1 1 103 103 SER HA H 103 3.713 3.713 4.218 -0.505 19108 26759 1 30 . 1 1 103 103 SER CA C 103 63.368 63.368 62.663 0.705 19108 26760 1 30 . 1 1 103 103 SER CB C 103 60.539 60.539 63.404 -2.865 19108 26761 1 30 . 1 1 103 103 SER H H 103 10.858 10.858 9.058 1.800 19108 26762 1 30 . 1 1 104 104 TRP N N 104 117.909 117.909 123.953 -6.044 19108 26763 1 30 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.891 -1.115 19108 26764 1 30 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.146 1.068 19108 26765 1 30 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.013 -1.127 19108 26766 1 30 . 1 1 104 104 TRP H H 104 7.880 7.880 8.505 -0.625 19108 26767 1 30 . 1 1 105 105 GLY N N 105 106.359 106.359 108.689 -2.330 19108 26768 1 30 . 1 1 105 105 GLY CA C 105 46.081 46.081 46.954 -0.873 19108 26769 1 30 . 1 1 105 105 GLY H H 105 7.468 7.468 8.784 -1.316 19108 26770 1 30 . 1 1 106 106 CYS N N 106 120.359 120.359 121.127 -0.768 19108 26771 1 30 . 1 1 106 106 CYS HA H 106 3.859 3.859 5.139 -1.280 19108 26772 1 30 . 1 1 106 106 CYS CA C 106 67.102 67.102 60.587 6.516 19108 26773 1 30 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.324 2.394 19108 26774 1 30 . 1 1 106 106 CYS H H 106 7.366 7.366 8.510 -1.144 19108 26775 1 30 . 1 1 107 107 ALA N N 107 119.725 119.725 124.425 -4.700 19108 26776 1 30 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.089 -0.224 19108 26777 1 30 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.184 1.750 19108 26778 1 30 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.106 0.337 19108 26779 1 30 . 1 1 107 107 ALA H H 107 8.719 8.719 8.655 0.064 19108 26780 1 30 . 1 1 108 108 GLY N N 108 103.829 103.829 107.395 -3.566 19108 26781 1 30 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.163 -0.269 19108 26782 1 30 . 1 1 108 108 GLY H H 108 8.555 8.555 7.910 0.645 19108 26783 1 30 . 1 1 109 109 GLU N N 109 123.162 123.162 122.164 0.998 19108 26784 1 30 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.183 0.083 19108 26785 1 30 . 1 1 109 109 GLU CA C 109 59.292 59.292 58.910 0.382 19108 26786 1 30 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.690 0.692 19108 26787 1 30 . 1 1 109 109 GLU H H 109 8.023 8.023 7.810 0.213 19108 26788 1 30 . 1 1 110 110 VAL N N 110 121.866 121.866 119.914 1.952 19108 26789 1 30 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.744 -0.045 19108 26790 1 30 . 1 1 110 110 VAL CA C 110 67.043 67.043 65.793 1.250 19108 26791 1 30 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.309 -0.303 19108 26792 1 30 . 1 1 110 110 VAL H H 110 8.942 8.942 7.777 1.165 19108 26793 1 30 . 1 1 111 111 ARG N N 111 120.587 120.587 120.452 0.135 19108 26794 1 30 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.923 -0.137 19108 26795 1 30 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.615 0.466 19108 26796 1 30 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.557 -0.382 19108 26797 1 30 . 1 1 111 111 ARG H H 111 8.653 8.653 8.132 0.521 19108 26798 1 30 . 1 1 112 112 ALA N N 112 120.687 120.687 122.557 -1.870 19108 26799 1 30 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.030 0.104 19108 26800 1 30 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.991 0.427 19108 26801 1 30 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.020 -0.029 19108 26802 1 30 . 1 1 112 112 ALA H H 112 7.875 7.875 8.239 -0.364 19108 26803 1 30 . 1 1 113 113 PHE N N 113 118.950 118.950 119.158 -0.208 19108 26804 1 30 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.130 0.207 19108 26805 1 30 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.412 -0.036 19108 26806 1 30 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.037 0.350 19108 26807 1 30 . 1 1 113 113 PHE H H 113 8.139 8.139 7.700 0.439 19108 26808 1 30 . 1 1 114 114 LEU N N 114 120.595 120.595 120.350 0.245 19108 26809 1 30 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.797 0.003 19108 26810 1 30 . 1 1 114 114 LEU CA C 114 57.133 57.133 58.064 -0.931 19108 26811 1 30 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.804 -0.895 19108 26812 1 30 . 1 1 114 114 LEU H H 114 8.639 8.639 7.675 0.964 19108 26813 1 30 . 1 1 115 115 GLN N N 115 117.666 117.666 116.378 1.288 19108 26814 1 30 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.939 0.084 19108 26815 1 30 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.508 -0.122 19108 26816 1 30 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.558 -0.020 19108 26817 1 30 . 1 1 115 115 GLN H H 115 8.167 8.167 8.430 -0.263 19108 26818 1 30 . 1 1 116 116 GLU N N 116 115.380 115.380 117.098 -1.718 19108 26819 1 30 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.298 0.024 19108 26820 1 30 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.664 0.398 19108 26821 1 30 . 1 1 116 116 GLU CB C 116 30.715 30.715 31.107 -0.392 19108 26822 1 30 . 1 1 116 116 GLU H H 116 7.448 7.448 7.691 -0.243 19108 26823 1 30 . 1 1 117 117 ASN N N 117 119.831 119.831 118.256 1.575 19108 26824 1 30 . 1 1 117 117 ASN HA H 117 5.065 5.065 5.007 0.058 19108 26825 1 30 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.255 -0.070 19108 26826 1 30 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.504 -1.258 19108 26827 1 30 . 1 1 117 117 ASN H H 117 7.632 7.632 7.991 -0.359 19108 26828 1 30 . 1 1 118 118 THR N N 118 111.041 111.041 114.787 -3.746 19108 26829 1 30 . 1 1 118 118 THR HA H 118 4.317 4.317 4.031 0.286 19108 26830 1 30 . 1 1 118 118 THR CA C 118 64.081 64.081 64.643 -0.562 19108 26831 1 30 . 1 1 118 118 THR CB C 118 68.767 68.767 68.338 0.429 19108 26832 1 30 . 1 1 118 118 THR H H 118 8.054 8.054 7.878 0.176 19108 26833 1 30 . 1 1 119 119 HIS N N 119 120.403 120.403 116.410 3.993 19108 26834 1 30 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.661 -0.372 19108 26835 1 30 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.538 1.063 19108 26836 1 30 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.904 1.416 19108 26837 1 30 . 1 1 119 119 HIS H H 119 9.248 9.248 8.236 1.012 19108 26838 1 30 . 1 1 120 120 VAL N N 120 120.001 120.001 119.071 0.930 19108 26839 1 30 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.545 -0.019 19108 26840 1 30 . 1 1 120 120 VAL CA C 120 61.890 61.890 60.621 1.268 19108 26841 1 30 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.260 -1.265 19108 26842 1 30 . 1 1 120 120 VAL H H 120 7.379 7.379 7.342 0.037 19108 26843 1 30 . 1 1 121 121 ARG N N 121 125.312 125.312 125.047 0.265 19108 26844 1 30 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.554 0.256 19108 26845 1 30 . 1 1 121 121 ARG CA C 121 53.067 53.067 53.964 -0.897 19108 26846 1 30 . 1 1 121 121 ARG CB C 121 30.580 30.580 32.438 -1.858 19108 26847 1 30 . 1 1 121 121 ARG H H 121 8.775 8.775 8.185 0.589 19108 26848 1 30 . 1 1 122 122 LEU N N 122 125.483 125.483 124.720 0.763 19108 26849 1 30 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.855 0.305 19108 26850 1 30 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.648 -0.347 19108 26851 1 30 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.251 2.421 19108 26852 1 30 . 1 1 122 122 LEU H H 122 9.345 9.345 8.552 0.793 19108 26853 1 30 . 1 1 123 123 ARG N N 123 127.748 127.748 125.521 2.227 19108 26854 1 30 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.473 0.263 19108 26855 1 30 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.573 -0.406 19108 26856 1 30 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.127 0.685 19108 26857 1 30 . 1 1 123 123 ARG H H 123 9.053 9.053 8.248 0.805 19108 26858 1 30 . 1 1 124 124 ILE N N 124 123.665 123.665 123.975 -0.310 19108 26859 1 30 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.426 0.016 19108 26860 1 30 . 1 1 124 124 ILE CA C 124 60.759 60.759 60.420 0.339 19108 26861 1 30 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.697 1.196 19108 26862 1 30 . 1 1 124 124 ILE H H 124 9.019 9.019 8.557 0.462 19108 26863 1 30 . 1 1 125 125 PHE N N 125 126.320 126.320 126.566 -0.246 19108 26864 1 30 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.427 -0.262 19108 26865 1 30 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.589 0.325 19108 26866 1 30 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.143 0.676 19108 26867 1 30 . 1 1 125 125 PHE H H 125 9.359 9.359 8.146 1.213 19108 26868 1 30 . 1 1 126 126 ALA N N 126 124.526 124.526 127.642 -3.116 19108 26869 1 30 . 1 1 126 126 ALA HA H 126 5.816 5.816 4.945 0.871 19108 26870 1 30 . 1 1 126 126 ALA CA C 126 48.870 48.870 51.199 -2.329 19108 26871 1 30 . 1 1 126 126 ALA CB C 126 20.334 20.334 18.988 1.346 19108 26872 1 30 . 1 1 126 126 ALA H H 126 9.091 9.091 8.498 0.593 19108 26873 1 30 . 1 1 127 127 ALA N N 127 126.272 126.272 129.125 -2.853 19108 26874 1 30 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.457 0.294 19108 26875 1 30 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.745 1.723 19108 26876 1 30 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.737 -0.132 19108 26877 1 30 . 1 1 127 127 ALA H H 127 9.049 9.049 9.170 -0.121 19108 26878 1 30 . 1 1 128 128 ARG N N 128 108.570 108.570 117.963 -9.393 19108 26879 1 30 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.747 -0.333 19108 26880 1 30 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.299 3.907 19108 26881 1 30 . 1 1 128 128 ARG H H 128 6.741 6.741 7.581 -0.840 19108 26882 1 30 . 1 1 129 129 ILE N N 129 121.285 121.285 124.563 -3.278 19108 26883 1 30 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.206 0.085 19108 26884 1 30 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.757 0.110 19108 26885 1 30 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.279 0.550 19108 26886 1 30 . 1 1 129 129 ILE H H 129 8.340 8.340 8.295 0.045 19108 26887 1 30 . 1 1 130 130 TYR N N 130 130.143 130.143 126.230 3.913 19108 26888 1 30 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.345 0.990 19108 26889 1 30 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.661 -0.735 19108 26890 1 30 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.837 -2.674 19108 26891 1 30 . 1 1 130 130 TYR H H 130 8.870 8.870 8.237 0.633 19108 26892 1 30 . 1 1 131 131 ASP N N 131 123.662 123.662 121.611 2.051 19108 26893 1 30 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.931 -1.264 19108 26894 1 30 . 1 1 131 131 ASP CA C 131 54.713 54.713 52.722 1.991 19108 26895 1 30 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.538 -3.637 19108 26896 1 30 . 1 1 131 131 ASP H H 131 8.123 8.123 8.180 -0.057 19108 26897 1 30 . 1 1 132 132 TYR N N 132 116.852 116.852 119.965 -3.113 19108 26898 1 30 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.824 -0.909 19108 26899 1 30 . 1 1 132 132 TYR CA C 132 59.468 59.468 58.847 0.621 19108 26900 1 30 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.626 -0.589 19108 26901 1 30 . 1 1 132 132 TYR H H 132 6.448 6.448 8.763 -2.315 19108 26902 1 30 . 1 1 133 133 ASP N N 133 116.930 116.930 117.630 -0.700 19108 26903 1 30 . 1 1 133 133 ASP CA C 133 50.165 50.165 52.103 -1.938 19108 26904 1 30 . 1 1 133 133 ASP CB C 133 42.782 42.782 42.757 0.025 19108 26905 1 30 . 1 1 133 133 ASP H H 133 7.005 7.005 7.888 -0.883 19108 26906 1 30 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.550 -0.447 19108 26907 1 30 . 1 1 134 134 PRO CA C 134 63.701 63.701 64.131 -0.430 19108 26908 1 30 . 1 1 134 134 PRO CB C 134 32.090 32.090 32.023 0.067 19108 26909 1 30 . 1 1 135 135 LEU N N 135 120.252 120.252 121.114 -0.862 19108 26910 1 30 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.033 0.665 19108 26911 1 30 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.648 -2.267 19108 26912 1 30 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.369 -1.625 19108 26913 1 30 . 1 1 135 135 LEU H H 135 8.456 8.456 8.072 0.384 19108 26914 1 30 . 1 1 136 136 TYR N N 136 117.432 117.432 117.908 -0.476 19108 26915 1 30 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.090 -0.029 19108 26916 1 30 . 1 1 136 136 TYR CA C 136 61.058 61.058 58.883 2.175 19108 26917 1 30 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.057 0.523 19108 26918 1 30 . 1 1 136 136 TYR H H 136 8.028 8.028 7.825 0.203 19108 26919 1 30 . 1 1 137 137 LYS N N 137 122.000 122.000 119.540 2.460 19108 26920 1 30 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.277 1.022 19108 26921 1 30 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.811 -1.013 19108 26922 1 30 . 1 1 137 137 LYS H H 137 7.503 7.503 7.635 -0.132 19108 26923 1 30 . 1 1 138 138 GLU N N 138 121.833 121.833 118.884 2.949 19108 26924 1 30 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.359 0.482 19108 26925 1 30 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.169 -1.700 19108 26926 1 30 . 1 1 138 138 GLU H H 138 8.752 8.752 8.178 0.574 19108 26927 1 30 . 1 1 139 139 ALA N N 139 119.592 119.592 122.195 -2.603 19108 26928 1 30 . 1 1 139 139 ALA HA H 139 3.846 3.846 3.979 -0.133 19108 26929 1 30 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.263 -0.123 19108 26930 1 30 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.445 1.810 19108 26931 1 30 . 1 1 139 139 ALA H H 139 7.682 7.682 7.517 0.165 19108 26932 1 30 . 1 1 140 140 LEU N N 140 116.268 116.268 118.953 -2.685 19108 26933 1 30 . 1 1 140 140 LEU CA C 140 58.193 58.193 58.137 0.056 19108 26934 1 30 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.525 -0.430 19108 26935 1 30 . 1 1 140 140 LEU H H 140 7.175 7.175 7.591 -0.416 19108 26936 1 30 . 1 1 141 141 GLN N N 141 117.550 117.550 118.330 -0.780 19108 26937 1 30 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.941 -0.222 19108 26938 1 30 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.556 0.495 19108 26939 1 30 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.384 -0.789 19108 26940 1 30 . 1 1 141 141 GLN H H 141 8.322 8.322 7.522 0.800 19108 26941 1 30 . 1 1 142 142 MET N N 142 118.520 118.520 119.464 -0.944 19108 26942 1 30 . 1 1 142 142 MET HA H 142 4.135 4.135 3.978 0.157 19108 26943 1 30 . 1 1 142 142 MET CA C 142 59.051 59.051 59.016 0.035 19108 26944 1 30 . 1 1 142 142 MET CB C 142 33.170 33.170 32.527 0.643 19108 26945 1 30 . 1 1 142 142 MET H H 142 8.241 8.241 8.321 -0.080 19108 26946 1 30 . 1 1 143 143 LEU N N 143 118.659 118.659 119.316 -0.657 19108 26947 1 30 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.018 0.274 19108 26948 1 30 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.613 0.502 19108 26949 1 30 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.817 -0.440 19108 26950 1 30 . 1 1 143 143 LEU H H 143 7.932 7.932 7.714 0.218 19108 26951 1 30 . 1 1 144 144 ARG N N 144 121.294 121.294 119.368 1.926 19108 26952 1 30 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.919 0.507 19108 26953 1 30 . 1 1 144 144 ARG CA C 144 58.989 58.989 58.770 0.219 19108 26954 1 30 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.682 -1.574 19108 26955 1 30 . 1 1 144 144 ARG H H 144 7.968 7.968 7.950 0.018 19108 26956 1 30 . 1 1 145 145 ASP N N 145 122.553 122.553 118.276 4.277 19108 26957 1 30 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.554 -0.125 19108 26958 1 30 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.006 0.572 19108 26959 1 30 . 1 1 145 145 ASP CB C 145 39.590 39.590 41.292 -1.702 19108 26960 1 30 . 1 1 145 145 ASP H H 145 8.868 8.868 7.842 1.026 19108 26961 1 30 . 1 1 146 146 ALA N N 146 120.102 120.102 120.528 -0.426 19108 26962 1 30 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.293 0.124 19108 26963 1 30 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.684 -0.651 19108 26964 1 30 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.602 -0.307 19108 26965 1 30 . 1 1 146 146 ALA H H 146 7.737 7.737 8.078 -0.341 19108 26966 1 30 . 1 1 147 147 GLY N N 147 105.039 105.039 105.498 -0.459 19108 26967 1 30 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.711 0.153 19108 26968 1 30 . 1 1 147 147 GLY H H 147 7.966 7.966 7.992 -0.026 19108 26969 1 30 . 1 1 148 148 ALA N N 148 124.181 124.181 122.393 1.788 19108 26970 1 30 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.281 0.408 19108 26971 1 30 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.653 -0.194 19108 26972 1 30 . 1 1 148 148 ALA CB C 148 18.479 18.479 19.817 -1.339 19108 26973 1 30 . 1 1 148 148 ALA H H 148 8.051 8.051 7.219 0.832 19108 26974 1 30 . 1 1 149 149 GLN N N 149 122.185 122.185 118.760 3.425 19108 26975 1 30 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.562 -0.123 19108 26976 1 30 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.840 0.115 19108 26977 1 30 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.563 -1.142 19108 26978 1 30 . 1 1 149 149 GLN H H 149 7.953 7.953 8.039 -0.086 19108 26979 1 30 . 1 1 150 150 VAL N N 150 127.399 127.399 125.496 1.903 19108 26980 1 30 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.731 0.021 19108 26981 1 30 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.732 0.707 19108 26982 1 30 . 1 1 150 150 VAL CB C 150 33.178 33.178 31.955 1.223 19108 26983 1 30 . 1 1 150 150 VAL H H 150 8.658 8.658 8.485 0.173 19108 26984 1 30 . 1 1 151 151 SER N N 151 120.616 120.616 122.371 -1.755 19108 26985 1 30 . 1 1 151 151 SER HA H 151 5.179 5.179 4.881 0.298 19108 26986 1 30 . 1 1 151 151 SER CA C 151 56.981 56.981 57.202 -0.221 19108 26987 1 30 . 1 1 151 151 SER CB C 151 66.538 66.538 66.433 0.105 19108 26988 1 30 . 1 1 151 151 SER H H 151 8.737 8.737 8.424 0.313 19108 26989 1 30 . 1 1 152 152 ILE N N 152 123.180 123.180 121.215 1.965 19108 26990 1 30 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.550 0.598 19108 26991 1 30 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.551 -4.033 19108 26992 1 30 . 1 1 152 152 ILE CB C 152 37.080 37.080 38.551 -1.471 19108 26993 1 30 . 1 1 152 152 ILE H H 152 8.672 8.672 8.535 0.137 19108 26994 1 30 . 1 1 153 153 MET N N 153 123.477 123.477 128.116 -4.639 19108 26995 1 30 . 1 1 153 153 MET HA H 153 3.886 3.886 4.437 -0.551 19108 26996 1 30 . 1 1 153 153 MET CA C 153 59.053 59.053 56.781 2.272 19108 26997 1 30 . 1 1 153 153 MET CB C 153 34.793 34.793 33.273 1.520 19108 26998 1 30 . 1 1 153 153 MET H H 153 8.314 8.314 8.256 0.058 19108 26999 1 30 . 1 1 154 154 THR N N 154 117.621 117.621 114.559 3.062 19108 27000 1 30 . 1 1 154 154 THR HA H 154 4.951 4.951 4.722 0.229 19108 27001 1 30 . 1 1 154 154 THR CA C 154 60.436 60.436 59.877 0.559 19108 27002 1 30 . 1 1 154 154 THR CB C 154 72.370 72.370 72.014 0.356 19108 27003 1 30 . 1 1 154 154 THR H H 154 9.630 9.630 8.071 1.559 19108 27004 1 30 . 1 1 155 155 TYR N N 155 121.751 121.751 122.270 -0.519 19108 27005 1 30 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.294 -0.195 19108 27006 1 30 . 1 1 155 155 TYR CA C 155 64.439 64.439 61.788 2.651 19108 27007 1 30 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.046 1.240 19108 27008 1 30 . 1 1 155 155 TYR H H 155 9.769 9.769 9.065 0.704 19108 27009 1 30 . 1 1 156 156 ASP N N 156 115.555 115.555 116.398 -0.843 19108 27010 1 30 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.957 0.151 19108 27011 1 30 . 1 1 156 156 ASP CA C 156 58.260 58.260 58.118 0.142 19108 27012 1 30 . 1 1 156 156 ASP CB C 156 40.618 40.618 39.983 0.635 19108 27013 1 30 . 1 1 156 156 ASP H H 156 8.230 8.230 8.836 -0.606 19108 27014 1 30 . 1 1 157 157 GLU N N 157 117.678 117.678 119.233 -1.555 19108 27015 1 30 . 1 1 157 157 GLU HA H 157 3.870 3.870 4.146 -0.276 19108 27016 1 30 . 1 1 157 157 GLU CA C 157 60.507 60.507 58.862 1.645 19108 27017 1 30 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.343 1.705 19108 27018 1 30 . 1 1 157 157 GLU H H 157 7.470 7.470 7.701 -0.231 19108 27019 1 30 . 1 1 158 158 PHE N N 158 119.869 119.869 120.909 -1.040 19108 27020 1 30 . 1 1 158 158 PHE HA H 158 3.829 3.829 4.196 -0.367 19108 27021 1 30 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.766 1.010 19108 27022 1 30 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.936 0.971 19108 27023 1 30 . 1 1 158 158 PHE H H 158 8.077 8.077 8.249 -0.172 19108 27024 1 30 . 1 1 159 159 LYS N N 159 118.859 118.859 119.651 -0.792 19108 27025 1 30 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.855 0.062 19108 27026 1 30 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.948 -0.717 19108 27027 1 30 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.369 -0.406 19108 27028 1 30 . 1 1 159 159 LYS H H 159 8.273 8.273 8.047 0.226 19108 27029 1 30 . 1 1 160 160 HIS N N 160 115.889 115.889 119.614 -3.725 19108 27030 1 30 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.261 -0.102 19108 27031 1 30 . 1 1 160 160 HIS CA C 160 59.981 59.981 58.857 1.124 19108 27032 1 30 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.428 -1.498 19108 27033 1 30 . 1 1 160 160 HIS H H 160 7.695 7.695 7.704 -0.009 19108 27034 1 30 . 1 1 161 161 CYS N N 161 118.188 118.188 118.146 0.042 19108 27035 1 30 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.014 0.775 19108 27036 1 30 . 1 1 161 161 CYS CA C 161 63.794 63.794 62.894 0.900 19108 27037 1 30 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.583 1.303 19108 27038 1 30 . 1 1 161 161 CYS H H 161 7.885 7.885 7.852 0.033 19108 27039 1 30 . 1 1 162 162 TRP N N 162 122.741 122.741 121.855 0.886 19108 27040 1 30 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.471 0.293 19108 27041 1 30 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.309 0.408 19108 27042 1 30 . 1 1 162 162 TRP CB C 162 28.593 28.593 29.008 -0.415 19108 27043 1 30 . 1 1 162 162 TRP H H 162 8.040 8.040 7.828 0.212 19108 27044 1 30 . 1 1 163 163 ASP N N 163 113.796 113.796 118.693 -4.897 19108 27045 1 30 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.864 0.262 19108 27046 1 30 . 1 1 163 163 ASP CA C 163 56.929 56.929 56.499 0.430 19108 27047 1 30 . 1 1 163 163 ASP CB C 163 40.535 40.535 40.078 0.457 19108 27048 1 30 . 1 1 163 163 ASP H H 163 8.319 8.319 8.050 0.269 19108 27049 1 30 . 1 1 164 164 THR N N 164 112.008 112.008 114.213 -2.205 19108 27050 1 30 . 1 1 164 164 THR HA H 164 3.803 3.803 4.030 -0.227 19108 27051 1 30 . 1 1 164 164 THR CA C 164 65.164 65.164 64.329 0.835 19108 27052 1 30 . 1 1 164 164 THR CB C 164 70.171 70.171 68.988 1.183 19108 27053 1 30 . 1 1 164 164 THR H H 164 7.494 7.494 7.823 -0.329 19108 27054 1 30 . 1 1 165 165 PHE N N 165 115.079 115.079 117.279 -2.200 19108 27055 1 30 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.594 -0.059 19108 27056 1 30 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.290 0.679 19108 27057 1 30 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.938 -0.570 19108 27058 1 30 . 1 1 165 165 PHE H H 165 8.235 8.235 7.291 0.944 19108 27059 1 30 . 1 1 166 166 VAL N N 166 118.432 118.432 118.959 -0.527 19108 27060 1 30 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.343 -0.318 19108 27061 1 30 . 1 1 166 166 VAL CA C 166 61.001 61.001 59.282 1.720 19108 27062 1 30 . 1 1 166 166 VAL CB C 166 31.355 31.355 33.650 -2.295 19108 27063 1 30 . 1 1 166 166 VAL H H 166 6.838 6.838 7.334 -0.496 19108 27064 1 30 . 1 1 167 167 ASP N N 167 126.263 126.263 127.828 -1.565 19108 27065 1 30 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.501 -0.653 19108 27066 1 30 . 1 1 167 167 ASP CA C 167 51.630 51.630 54.057 -2.427 19108 27067 1 30 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.876 -1.796 19108 27068 1 30 . 1 1 167 167 ASP H H 167 8.498 8.498 8.796 -0.298 19108 27069 1 30 . 1 1 168 168 HIS N N 168 119.890 119.890 119.296 0.594 19108 27070 1 30 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.181 0.165 19108 27071 1 30 . 1 1 168 168 HIS CA C 168 56.575 56.575 59.019 -2.444 19108 27072 1 30 . 1 1 168 168 HIS CB C 168 32.462 32.462 30.195 2.268 19108 27073 1 30 . 1 1 168 168 HIS H H 168 6.977 6.977 7.910 -0.933 19108 27074 1 30 . 1 1 169 169 GLN N N 169 119.254 119.254 115.383 3.871 19108 27075 1 30 . 1 1 169 169 GLN HA H 169 3.723 3.723 4.000 -0.277 19108 27076 1 30 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.727 0.043 19108 27077 1 30 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.274 -0.753 19108 27078 1 30 . 1 1 169 169 GLN H H 169 9.126 9.126 8.978 0.148 19108 27079 1 30 . 1 1 170 170 GLY N N 170 111.911 111.911 101.612 10.299 19108 27080 1 30 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.483 0.341 19108 27081 1 30 . 1 1 170 170 GLY H H 170 11.556 11.556 5.281 6.275 19108 27082 1 30 . 1 1 171 171 CYS N N 171 123.390 123.390 121.326 2.064 19108 27083 1 30 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.984 -0.268 19108 27084 1 30 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.849 1.936 19108 27085 1 30 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.974 -1.071 19108 27086 1 30 . 1 1 171 171 CYS H H 171 8.044 8.044 6.919 1.125 19108 27087 1 30 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.796 -0.178 19108 27088 1 30 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.621 -0.763 19108 27089 1 30 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.394 0.135 19108 27090 1 30 . 1 1 173 173 PHE N N 173 121.101 121.101 121.248 -0.147 19108 27091 1 30 . 1 1 173 173 PHE HA H 173 2.656 2.656 4.191 -1.535 19108 27092 1 30 . 1 1 173 173 PHE CA C 173 57.541 57.541 56.322 1.219 19108 27093 1 30 . 1 1 173 173 PHE CB C 173 38.746 38.746 38.907 -0.161 19108 27094 1 30 . 1 1 173 173 PHE H H 173 8.842 8.842 7.459 1.383 19108 27095 1 30 . 1 1 174 174 GLN N N 174 129.493 129.493 126.630 2.863 19108 27096 1 30 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.068 0.249 19108 27097 1 30 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.509 -1.714 19108 27098 1 30 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.470 0.627 19108 27099 1 30 . 1 1 174 174 GLN H H 174 7.250 7.250 7.959 -0.709 19108 27100 1 30 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.727 -0.813 19108 27101 1 30 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.580 -0.157 19108 27102 1 30 . 1 1 176 176 TRP N N 176 118.133 118.133 123.733 -5.600 19108 27103 1 30 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.682 -0.049 19108 27104 1 30 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.487 0.675 19108 27105 1 30 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.236 -0.347 19108 27106 1 30 . 1 1 176 176 TRP H H 176 5.591 5.591 6.905 -1.315 19108 27107 1 30 . 1 1 177 177 ASP N N 177 121.814 121.814 121.629 0.185 19108 27108 1 30 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.612 -0.215 19108 27109 1 30 . 1 1 177 177 ASP CA C 177 56.172 56.172 55.016 1.156 19108 27110 1 30 . 1 1 177 177 ASP CB C 177 40.675 40.675 40.525 0.150 19108 27111 1 30 . 1 1 177 177 ASP H H 177 8.848 8.848 8.558 0.290 19108 27112 1 30 . 1 1 178 178 GLY N N 178 111.875 111.875 111.932 -0.057 19108 27113 1 30 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.049 0.617 19108 27114 1 30 . 1 1 178 178 GLY H H 178 8.987 8.987 8.274 0.713 19108 27115 1 30 . 1 1 179 179 LEU N N 179 121.470 121.470 122.668 -1.198 19108 27116 1 30 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.368 0.120 19108 27117 1 30 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.524 2.258 19108 27118 1 30 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.982 0.247 19108 27119 1 30 . 1 1 179 179 LEU H H 179 7.148 7.148 7.658 -0.510 19108 27120 1 30 . 1 1 180 180 ASP N N 180 119.476 119.476 119.374 0.102 19108 27121 1 30 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.364 0.128 19108 27122 1 30 . 1 1 180 180 ASP CA C 180 57.939 57.939 58.286 -0.347 19108 27123 1 30 . 1 1 180 180 ASP CB C 180 40.713 40.713 40.379 0.334 19108 27124 1 30 . 1 1 180 180 ASP H H 180 8.874 8.874 8.673 0.201 19108 27125 1 30 . 1 1 181 181 GLU N N 181 122.379 122.379 119.560 2.819 19108 27126 1 30 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.985 0.027 19108 27127 1 30 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.962 0.007 19108 27128 1 30 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.400 -0.474 19108 27129 1 30 . 1 1 181 181 GLU H H 181 8.712 8.712 8.713 -0.001 19108 27130 1 30 . 1 1 182 182 HIS N N 182 118.572 118.572 117.800 0.772 19108 27131 1 30 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.302 0.452 19108 27132 1 30 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.024 0.005 19108 27133 1 30 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.462 -0.614 19108 27134 1 30 . 1 1 182 182 HIS H H 182 8.854 8.854 8.336 0.518 19108 27135 1 30 . 1 1 183 183 SER N N 183 116.329 116.329 114.932 1.397 19108 27136 1 30 . 1 1 183 183 SER HA H 183 4.554 4.554 4.123 0.431 19108 27137 1 30 . 1 1 183 183 SER CA C 183 63.604 63.604 62.330 1.274 19108 27138 1 30 . 1 1 183 183 SER CB C 183 65.216 65.216 63.085 2.131 19108 27139 1 30 . 1 1 183 183 SER H H 183 8.665 8.665 8.463 0.202 19108 27140 1 30 . 1 1 184 184 GLN N N 184 122.215 122.215 120.360 1.855 19108 27141 1 30 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.182 0.065 19108 27142 1 30 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.756 0.204 19108 27143 1 30 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.455 0.480 19108 27144 1 30 . 1 1 184 184 GLN H H 184 8.714 8.714 8.385 0.329 19108 27145 1 30 . 1 1 185 185 ALA N N 185 124.432 124.432 123.278 1.154 19108 27146 1 30 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.125 0.159 19108 27147 1 30 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.189 0.280 19108 27148 1 30 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.321 0.053 19108 27149 1 30 . 1 1 185 185 ALA H H 185 8.258 8.258 8.077 0.181 19108 27150 1 30 . 1 1 186 186 LEU N N 186 119.941 119.941 118.641 1.300 19108 27151 1 30 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.917 0.295 19108 27152 1 30 . 1 1 186 186 LEU CA C 186 58.216 58.216 57.922 0.294 19108 27153 1 30 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.529 1.236 19108 27154 1 30 . 1 1 186 186 LEU H H 186 8.953 8.953 8.530 0.423 19108 27155 1 30 . 1 1 187 187 SER N N 187 116.987 116.987 114.237 2.750 19108 27156 1 30 . 1 1 187 187 SER HA H 187 4.039 4.039 4.150 -0.111 19108 27157 1 30 . 1 1 187 187 SER CA C 187 63.302 63.302 61.856 1.446 19108 27158 1 30 . 1 1 187 187 SER CB C 187 62.760 62.760 62.168 0.592 19108 27159 1 30 . 1 1 187 187 SER H H 187 8.935 8.935 8.670 0.265 19108 27160 1 30 . 1 1 188 188 GLY N N 188 110.215 110.215 110.398 -0.183 19108 27161 1 30 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.521 0.633 19108 27162 1 30 . 1 1 188 188 GLY H H 188 8.228 8.228 7.823 0.405 19108 27163 1 30 . 1 1 189 189 ARG N N 189 122.994 122.994 122.593 0.401 19108 27164 1 30 . 1 1 189 189 ARG HA H 189 4.237 4.237 3.984 0.253 19108 27165 1 30 . 1 1 189 189 ARG CA C 189 59.559 59.559 58.977 0.582 19108 27166 1 30 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.819 0.576 19108 27167 1 30 . 1 1 189 189 ARG H H 189 7.838 7.838 7.560 0.278 19108 27168 1 30 . 1 1 190 190 LEU N N 190 119.765 119.765 120.423 -0.658 19108 27169 1 30 . 1 1 190 190 LEU HA H 190 4.238 4.238 3.978 0.260 19108 27170 1 30 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.239 -0.020 19108 27171 1 30 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.877 -0.635 19108 27172 1 30 . 1 1 190 190 LEU H H 190 8.791 8.791 7.882 0.909 19108 27173 1 30 . 1 1 191 191 ARG N N 191 118.427 118.427 117.721 0.706 19108 27174 1 30 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.970 0.073 19108 27175 1 30 . 1 1 191 191 ARG CA C 191 59.782 59.782 58.989 0.793 19108 27176 1 30 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.197 -0.006 19108 27177 1 30 . 1 1 191 191 ARG H H 191 8.305 8.305 8.051 0.254 19108 27178 1 30 . 1 1 192 192 ALA N N 192 119.414 119.414 121.014 -1.600 19108 27179 1 30 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.486 -0.269 19108 27180 1 30 . 1 1 192 192 ALA CA C 192 54.716 54.716 53.517 1.199 19108 27181 1 30 . 1 1 192 192 ALA CB C 192 18.165 18.165 19.962 -1.797 19108 27182 1 30 . 1 1 192 192 ALA H H 192 7.414 7.414 7.279 0.135 19108 27183 1 30 . 1 1 193 193 ILE N N 193 118.949 118.949 118.951 -0.002 19108 27184 1 30 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.805 -0.035 19108 27185 1 30 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.936 0.902 19108 27186 1 30 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.228 1.218 19108 27187 1 30 . 1 1 193 193 ILE H H 193 7.896 7.896 8.034 -0.139 19108 27188 1 30 . 1 1 194 194 LEU N N 194 116.435 116.435 117.583 -1.148 19108 27189 1 30 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.272 0.001 19108 27190 1 30 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.612 0.101 19108 27191 1 30 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.801 -2.330 19108 27192 1 30 . 1 1 194 194 LEU H H 194 8.296 8.296 8.010 0.286 19108 27193 1 30 . 1 1 195 195 GLN N N 195 118.580 118.580 117.682 0.898 19108 27194 1 30 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.451 -0.116 19108 27195 1 30 . 1 1 195 195 GLN CA C 195 56.417 56.417 54.474 1.943 19108 27196 1 30 . 1 1 195 195 GLN CB C 195 28.598 28.598 30.221 -1.623 19108 27197 1 30 . 1 1 195 195 GLN H H 195 7.921 7.921 7.420 0.501 19108 27198 1 30 . 1 1 196 196 ASN N N 196 118.941 118.941 122.418 -3.477 19108 27199 1 30 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.502 0.200 19108 27200 1 30 . 1 1 196 196 ASN CA C 196 53.450 53.450 54.409 -0.959 19108 27201 1 30 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.043 -0.218 19108 27202 1 30 . 1 1 196 196 ASN H H 196 8.078 8.078 8.545 -0.467 19108 27203 1 30 . 1 1 197 197 GLN N N 197 120.984 120.984 122.533 -1.549 19108 27204 1 30 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.439 -0.083 19108 27205 1 30 . 1 1 197 197 GLN CA C 197 56.166 56.166 55.379 0.787 19108 27206 1 30 . 1 1 197 197 GLN CB C 197 29.496 29.496 30.234 -0.738 19108 27207 1 30 . 1 1 197 197 GLN H H 197 8.526 8.526 8.358 0.168 19108 27208 1 30 . 1 1 198 198 GLY N N 198 109.565 109.565 108.126 1.439 19108 27209 1 30 . 1 1 198 198 GLY CA C 198 45.384 45.384 44.996 0.388 19108 27210 1 30 . 1 1 198 198 GLY H H 198 8.467 8.467 8.652 -0.185 19108 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 182 3.012 0.057 3.020 19108 2 1 1 "Average Difference" HA 193 0.410 -0.045 0.408 19108 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19108 4 1 1 "Average Difference" CA 195 1.177 -0.154 1.170 19108 5 1 1 "Average Difference" CB 178 1.517 -0.093 1.518 19108 6 1 1 "Average Difference" HN 184 0.771 -0.188 0.750 19108 7 1 2 "Average Difference" N 182 3.181 0.228 3.182 19108 8 1 2 "Average Difference" HA 193 0.388 -0.041 0.387 19108 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19108 10 1 2 "Average Difference" CA 195 1.147 -0.096 1.146 19108 11 1 2 "Average Difference" CB 178 1.428 -0.081 1.430 19108 12 1 2 "Average Difference" HN 184 0.840 -0.240 0.808 19108 13 1 3 "Average Difference" N 182 3.176 0.184 3.180 19108 14 1 3 "Average Difference" HA 193 0.413 -0.052 0.411 19108 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19108 16 1 3 "Average Difference" CA 195 1.139 -0.200 1.124 19108 17 1 3 "Average Difference" CB 178 1.493 -0.094 1.495 19108 18 1 3 "Average Difference" HN 184 0.813 -0.258 0.773 19108 19 1 4 "Average Difference" N 182 2.806 0.267 2.801 19108 20 1 4 "Average Difference" HA 193 0.423 -0.047 0.422 19108 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19108 22 1 4 "Average Difference" CA 195 1.227 -0.190 1.216 19108 23 1 4 "Average Difference" CB 178 1.443 -0.169 1.437 19108 24 1 4 "Average Difference" HN 184 0.813 -0.216 0.786 19108 25 1 5 "Average Difference" N 182 3.224 0.069 3.232 19108 26 1 5 "Average Difference" HA 193 0.416 -0.036 0.416 19108 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19108 28 1 5 "Average Difference" CA 195 1.113 -0.115 1.110 19108 29 1 5 "Average Difference" CB 178 1.412 -0.070 1.415 19108 30 1 5 "Average Difference" HN 184 0.820 -0.193 0.799 19108 31 1 6 "Average Difference" N 182 2.994 0.249 2.992 19108 32 1 6 "Average Difference" HA 193 0.394 -0.042 0.393 19108 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19108 34 1 6 "Average Difference" CA 195 1.204 -0.124 1.201 19108 35 1 6 "Average Difference" CB 178 1.413 -0.122 1.412 19108 36 1 6 "Average Difference" HN 184 0.731 -0.220 0.699 19108 37 1 7 "Average Difference" N 182 3.226 0.152 3.231 19108 38 1 7 "Average Difference" HA 193 0.412 -0.026 0.413 19108 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19108 40 1 7 "Average Difference" CA 195 1.157 -0.102 1.156 19108 41 1 7 "Average Difference" CB 178 1.371 -0.104 1.371 19108 42 1 7 "Average Difference" HN 184 0.869 -0.255 0.833 19108 43 1 8 "Average Difference" N 182 2.815 -0.024 2.823 19108 44 1 8 "Average Difference" HA 193 0.410 -0.046 0.409 19108 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19108 46 1 8 "Average Difference" CA 195 1.133 -0.093 1.132 19108 47 1 8 "Average Difference" CB 178 1.474 -0.111 1.474 19108 48 1 8 "Average Difference" HN 184 0.797 -0.240 0.763 19108 49 1 9 "Average Difference" N 182 2.971 0.148 2.975 19108 50 1 9 "Average Difference" HA 193 0.366 -0.041 0.364 19108 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19108 52 1 9 "Average Difference" CA 195 1.213 -0.116 1.210 19108 53 1 9 "Average Difference" CB 178 1.460 -0.105 1.460 19108 54 1 9 "Average Difference" HN 184 0.850 -0.234 0.819 19108 55 1 10 "Average Difference" N 182 2.989 0.035 2.997 19108 56 1 10 "Average Difference" HA 193 0.388 -0.034 0.387 19108 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19108 58 1 10 "Average Difference" CA 195 1.253 -0.101 1.253 19108 59 1 10 "Average Difference" CB 178 1.395 -0.143 1.392 19108 60 1 10 "Average Difference" HN 184 0.859 -0.247 0.825 19108 61 1 11 "Average Difference" N 182 3.224 -0.058 3.232 19108 62 1 11 "Average Difference" HA 193 0.390 -0.052 0.388 19108 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19108 64 1 11 "Average Difference" CA 195 1.226 -0.084 1.226 19108 65 1 11 "Average Difference" CB 178 1.383 -0.047 1.386 19108 66 1 11 "Average Difference" HN 184 0.869 -0.246 0.835 19108 67 1 12 "Average Difference" N 182 3.232 0.038 3.241 19108 68 1 12 "Average Difference" HA 193 0.403 -0.019 0.403 19108 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19108 70 1 12 "Average Difference" CA 195 1.257 -0.217 1.241 19108 71 1 12 "Average Difference" CB 178 1.470 -0.064 1.473 19108 72 1 12 "Average Difference" HN 184 0.836 -0.249 0.800 19108 73 1 13 "Average Difference" N 182 3.077 0.137 3.082 19108 74 1 13 "Average Difference" HA 193 0.431 -0.043 0.430 19108 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19108 76 1 13 "Average Difference" CA 195 1.168 -0.112 1.165 19108 77 1 13 "Average Difference" CB 178 1.437 -0.132 1.435 19108 78 1 13 "Average Difference" HN 184 0.836 -0.237 0.803 19108 79 1 14 "Average Difference" N 182 2.965 0.208 2.966 19108 80 1 14 "Average Difference" HA 193 0.405 -0.045 0.404 19108 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19108 82 1 14 "Average Difference" CA 195 1.185 -0.107 1.183 19108 83 1 14 "Average Difference" CB 178 1.399 -0.110 1.398 19108 84 1 14 "Average Difference" HN 184 0.848 -0.229 0.818 19108 85 1 15 "Average Difference" N 182 2.970 0.019 2.978 19108 86 1 15 "Average Difference" HA 193 0.386 -0.021 0.387 19108 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19108 88 1 15 "Average Difference" CA 195 1.200 -0.126 1.196 19108 89 1 15 "Average Difference" CB 178 1.469 -0.016 1.473 19108 90 1 15 "Average Difference" HN 184 0.758 -0.228 0.725 19108 91 1 16 "Average Difference" N 182 2.894 0.190 2.895 19108 92 1 16 "Average Difference" HA 193 0.403 -0.051 0.401 19108 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19108 94 1 16 "Average Difference" CA 195 1.267 -0.107 1.266 19108 95 1 16 "Average Difference" CB 178 1.450 0.024 1.454 19108 96 1 16 "Average Difference" HN 184 0.781 -0.233 0.747 19108 97 1 17 "Average Difference" N 182 3.037 -0.054 3.045 19108 98 1 17 "Average Difference" HA 193 0.400 -0.048 0.398 19108 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19108 100 1 17 "Average Difference" CA 195 1.218 -0.119 1.215 19108 101 1 17 "Average Difference" CB 178 1.440 -0.069 1.443 19108 102 1 17 "Average Difference" HN 184 0.747 -0.213 0.718 19108 103 1 18 "Average Difference" N 182 2.976 0.130 2.982 19108 104 1 18 "Average Difference" HA 193 0.390 -0.055 0.387 19108 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19108 106 1 18 "Average Difference" CA 195 1.156 -0.170 1.147 19108 107 1 18 "Average Difference" CB 178 1.455 -0.090 1.456 19108 108 1 18 "Average Difference" HN 184 0.857 -0.254 0.820 19108 109 1 19 "Average Difference" N 182 3.034 0.161 3.038 19108 110 1 19 "Average Difference" HA 193 0.400 -0.043 0.399 19108 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19108 112 1 19 "Average Difference" CA 195 1.248 -0.134 1.244 19108 113 1 19 "Average Difference" CB 178 1.435 -0.134 1.433 19108 114 1 19 "Average Difference" HN 184 0.841 -0.221 0.813 19108 115 1 20 "Average Difference" N 182 3.067 0.276 3.063 19108 116 1 20 "Average Difference" HA 193 0.410 -0.042 0.409 19108 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19108 118 1 20 "Average Difference" CA 195 1.146 -0.123 1.142 19108 119 1 20 "Average Difference" CB 178 1.477 -0.025 1.481 19108 120 1 20 "Average Difference" HN 184 0.846 -0.238 0.814 19108 121 1 21 "Average Difference" N 182 3.012 0.081 3.019 19108 122 1 21 "Average Difference" HA 193 0.392 -0.043 0.390 19108 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19108 124 1 21 "Average Difference" CA 195 1.178 -0.089 1.178 19108 125 1 21 "Average Difference" CB 178 1.551 -0.095 1.552 19108 126 1 21 "Average Difference" HN 184 0.865 -0.216 0.840 19108 127 1 22 "Average Difference" N 182 3.183 -0.116 3.189 19108 128 1 22 "Average Difference" HA 193 0.399 -0.051 0.397 19108 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19108 130 1 22 "Average Difference" CA 195 1.199 -0.066 1.200 19108 131 1 22 "Average Difference" CB 178 1.487 -0.145 1.484 19108 132 1 22 "Average Difference" HN 184 0.791 -0.235 0.757 19108 133 1 23 "Average Difference" N 182 2.990 0.143 2.995 19108 134 1 23 "Average Difference" HA 193 0.408 -0.037 0.407 19108 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19108 136 1 23 "Average Difference" CA 195 1.187 -0.178 1.177 19108 137 1 23 "Average Difference" CB 178 1.452 -0.074 1.454 19108 138 1 23 "Average Difference" HN 184 0.832 -0.235 0.800 19108 139 1 24 "Average Difference" N 182 3.082 0.237 3.081 19108 140 1 24 "Average Difference" HA 193 0.405 -0.064 0.401 19108 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19108 142 1 24 "Average Difference" CA 195 1.237 -0.042 1.239 19108 143 1 24 "Average Difference" CB 178 1.492 -0.247 1.476 19108 144 1 24 "Average Difference" HN 184 0.749 -0.198 0.725 19108 145 1 25 "Average Difference" N 182 3.069 -0.038 3.078 19108 146 1 25 "Average Difference" HA 193 0.426 -0.038 0.426 19108 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19108 148 1 25 "Average Difference" CA 195 1.193 -0.145 1.187 19108 149 1 25 "Average Difference" CB 178 1.409 -0.033 1.413 19108 150 1 25 "Average Difference" HN 184 0.833 -0.217 0.807 19108 151 1 26 "Average Difference" N 182 2.938 0.090 2.944 19108 152 1 26 "Average Difference" HA 193 0.396 -0.030 0.395 19108 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19108 154 1 26 "Average Difference" CA 195 1.189 -0.115 1.187 19108 155 1 26 "Average Difference" CB 178 1.431 -0.159 1.426 19108 156 1 26 "Average Difference" HN 184 0.861 -0.198 0.840 19108 157 1 27 "Average Difference" N 182 3.112 0.127 3.118 19108 158 1 27 "Average Difference" HA 193 0.403 -0.031 0.403 19108 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19108 160 1 27 "Average Difference" CA 195 1.156 -0.120 1.152 19108 161 1 27 "Average Difference" CB 178 1.436 -0.042 1.439 19108 162 1 27 "Average Difference" HN 184 0.740 -0.192 0.716 19108 163 1 28 "Average Difference" N 182 3.028 0.308 3.021 19108 164 1 28 "Average Difference" HA 193 0.382 -0.037 0.382 19108 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19108 166 1 28 "Average Difference" CA 195 1.296 -0.084 1.297 19108 167 1 28 "Average Difference" CB 178 1.417 -0.081 1.418 19108 168 1 28 "Average Difference" HN 184 0.859 -0.211 0.835 19108 169 1 29 "Average Difference" N 182 3.239 0.091 3.247 19108 170 1 29 "Average Difference" HA 193 0.426 -0.022 0.426 19108 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19108 172 1 29 "Average Difference" CA 195 1.203 -0.160 1.196 19108 173 1 29 "Average Difference" CB 178 1.458 -0.031 1.461 19108 174 1 29 "Average Difference" HN 184 0.835 -0.232 0.805 19108 175 1 30 "Average Difference" N 182 3.058 0.016 3.066 19108 176 1 30 "Average Difference" HA 193 0.429 -0.026 0.430 19108 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19108 178 1 30 "Average Difference" CA 195 1.270 -0.117 1.268 19108 179 1 30 "Average Difference" CB 178 1.410 -0.027 1.413 19108 180 1 30 "Average Difference" HN 184 0.853 -0.215 0.828 19108 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 19108 _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 GLU HA H 2 4.374 4.374 4.382 -0.008 19108 2 1 . 1 1 2 2 GLU CA C 2 56.348 56.348 56.526 -0.178 19108 3 1 . 1 1 2 2 GLU CB C 2 30.453 30.453 30.115 0.338 19108 4 1 . 1 1 3 3 ALA N N 3 125.932 125.932 125.018 0.914 19108 5 1 . 1 1 3 3 ALA HA H 3 4.350 4.350 4.365 -0.015 19108 6 1 . 1 1 3 3 ALA CA C 3 52.407 52.407 52.394 0.013 19108 7 1 . 1 1 3 3 ALA CB C 3 19.580 19.580 19.319 0.261 19108 8 1 . 1 1 3 3 ALA H H 3 8.526 8.526 8.303 0.223 19108 9 1 . 1 1 4 4 SER N N 4 116.729 116.729 115.733 0.996 19108 10 1 . 1 1 4 4 SER HA H 4 4.766 4.766 4.514 0.252 19108 11 1 . 1 1 4 4 SER CA C 4 56.283 56.283 57.437 -1.154 19108 12 1 . 1 1 4 4 SER CB C 4 63.278 63.278 63.035 0.243 19108 13 1 . 1 1 4 4 SER H H 4 8.397 8.397 8.217 0.180 19108 14 1 . 1 1 5 5 PRO HA H 5 4.446 4.446 4.396 0.050 19108 15 1 . 1 1 5 5 PRO CA C 5 63.306 63.306 63.405 -0.099 19108 16 1 . 1 1 5 5 PRO CB C 5 32.097 32.097 32.055 0.042 19108 17 1 . 1 1 6 6 ALA N N 6 124.236 124.236 123.396 0.840 19108 18 1 . 1 1 6 6 ALA HA H 6 4.333 4.333 4.304 0.029 19108 19 1 . 1 1 6 6 ALA CA C 6 52.563 52.563 52.255 0.308 19108 20 1 . 1 1 6 6 ALA CB C 6 19.334 19.334 19.116 0.218 19108 21 1 . 1 1 6 6 ALA H H 6 8.411 8.411 8.186 0.225 19108 22 1 . 1 1 7 7 SER N N 7 114.497 114.497 115.854 -1.357 19108 23 1 . 1 1 7 7 SER HA H 7 4.475 4.475 4.390 0.085 19108 24 1 . 1 1 7 7 SER CA C 7 58.258 58.258 58.409 -0.151 19108 25 1 . 1 1 7 7 SER CB C 7 64.174 64.174 63.660 0.514 19108 26 1 . 1 1 7 7 SER H H 7 8.195 8.195 8.288 -0.093 19108 27 1 . 1 1 8 8 GLY N N 8 110.497 110.497 110.441 0.056 19108 28 1 . 1 1 8 8 GLY CA C 8 44.846 44.846 44.749 0.097 19108 29 1 . 1 1 8 8 GLY H H 8 8.226 8.226 8.258 -0.032 19108 30 1 . 1 1 9 9 PRO HA H 9 4.449 4.449 4.412 0.037 19108 31 1 . 1 1 9 9 PRO CA C 9 63.434 63.434 63.055 0.379 19108 32 1 . 1 1 9 9 PRO CB C 9 32.193 32.193 31.872 0.322 19108 33 1 . 1 1 10 10 ARG N N 10 120.534 120.534 121.702 -1.168 19108 34 1 . 1 1 10 10 ARG HA H 10 4.341 4.341 4.332 0.009 19108 35 1 . 1 1 10 10 ARG CA C 10 56.016 56.016 55.797 0.219 19108 36 1 . 1 1 10 10 ARG CB C 10 30.809 30.809 31.328 -0.519 19108 37 1 . 1 1 10 10 ARG H H 10 8.469 8.469 8.247 0.222 19108 38 1 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.617 0.208 19108 39 1 . 1 1 11 11 HIS CA C 11 55.461 55.461 55.548 -0.087 19108 40 1 . 1 1 11 11 HIS CB C 11 30.191 30.191 29.811 0.380 19108 41 1 . 1 1 12 12 LEU N N 12 122.284 122.284 122.475 -0.191 19108 42 1 . 1 1 12 12 LEU CA C 12 53.609 53.609 53.210 0.399 19108 43 1 . 1 1 12 12 LEU CB C 12 45.030 45.030 43.415 1.615 19108 44 1 . 1 1 12 12 LEU H H 12 8.250 8.250 8.047 0.203 19108 45 1 . 1 1 13 13 MET N N 13 121.493 121.493 118.553 2.940 19108 46 1 . 1 1 13 13 MET HA H 13 4.038 4.038 4.420 -0.382 19108 47 1 . 1 1 13 13 MET CA C 13 54.449 54.449 55.573 -1.124 19108 48 1 . 1 1 13 13 MET CB C 13 35.015 35.015 33.298 1.717 19108 49 1 . 1 1 13 13 MET H H 13 8.955 8.955 8.074 0.881 19108 50 1 . 1 1 14 14 ASP N N 14 127.113 127.113 121.715 5.398 19108 51 1 . 1 1 14 14 ASP HA H 14 4.100 4.100 4.881 -0.781 19108 52 1 . 1 1 14 14 ASP CA C 14 52.456 52.456 53.186 -0.730 19108 53 1 . 1 1 14 14 ASP CB C 14 42.510 42.510 41.152 1.358 19108 54 1 . 1 1 14 14 ASP H H 14 8.514 8.514 8.542 -0.028 19108 55 1 . 1 1 15 15 PRO HA H 15 3.853 3.853 4.129 -0.276 19108 56 1 . 1 1 15 15 PRO CA C 15 66.654 66.654 66.410 0.244 19108 57 1 . 1 1 15 15 PRO CB C 15 31.651 31.651 32.009 -0.358 19108 58 1 . 1 1 16 16 HIS N N 16 115.776 115.776 116.447 -0.671 19108 59 1 . 1 1 16 16 HIS HA H 16 4.278 4.278 4.424 -0.147 19108 60 1 . 1 1 16 16 HIS CA C 16 58.918 58.918 59.629 -0.711 19108 61 1 . 1 1 16 16 HIS CB C 16 29.208 29.208 29.343 -0.135 19108 62 1 . 1 1 16 16 HIS H H 16 8.591 8.591 8.278 0.313 19108 63 1 . 1 1 17 17 ILE N N 17 122.675 122.675 119.239 3.436 19108 64 1 . 1 1 17 17 ILE HA H 17 3.484 3.484 3.583 -0.099 19108 65 1 . 1 1 17 17 ILE CA C 17 63.226 63.226 64.604 -1.378 19108 66 1 . 1 1 17 17 ILE CB C 17 36.097 36.097 36.855 -0.758 19108 67 1 . 1 1 17 17 ILE H H 17 7.558 7.558 8.006 -0.448 19108 68 1 . 1 1 18 18 PHE N N 18 120.513 120.513 120.855 -0.342 19108 69 1 . 1 1 18 18 PHE HA H 18 4.003 4.003 4.213 -0.210 19108 70 1 . 1 1 18 18 PHE CA C 18 62.804 62.804 61.949 0.855 19108 71 1 . 1 1 18 18 PHE CB C 18 39.640 39.640 39.499 0.141 19108 72 1 . 1 1 18 18 PHE H H 18 7.831 7.831 8.215 -0.384 19108 73 1 . 1 1 19 19 THR N N 19 114.555 114.555 115.093 -0.538 19108 74 1 . 1 1 19 19 THR HA H 19 3.657 3.657 4.134 -0.477 19108 75 1 . 1 1 19 19 THR CA C 19 66.485 66.485 66.329 0.156 19108 76 1 . 1 1 19 19 THR CB C 19 68.345 68.345 68.573 -0.228 19108 77 1 . 1 1 19 19 THR H H 19 9.036 9.036 8.511 0.525 19108 78 1 . 1 1 20 20 SER N N 20 113.030 113.030 116.818 -3.788 19108 79 1 . 1 1 20 20 SER HA H 20 4.062 4.062 4.153 -0.091 19108 80 1 . 1 1 20 20 SER CA C 20 60.610 60.610 61.188 -0.578 19108 81 1 . 1 1 20 20 SER CB C 20 63.843 63.843 63.072 0.771 19108 82 1 . 1 1 20 20 SER H H 20 7.809 7.809 8.368 -0.559 19108 83 1 . 1 1 21 21 ASN N N 21 115.629 115.629 119.726 -4.097 19108 84 1 . 1 1 21 21 ASN HA H 21 4.411 4.411 4.293 0.118 19108 85 1 . 1 1 21 21 ASN CA C 21 56.989 56.989 55.115 1.874 19108 86 1 . 1 1 21 21 ASN CB C 21 41.580 41.580 38.133 3.447 19108 87 1 . 1 1 21 21 ASN H H 21 7.362 7.362 7.683 -0.321 19108 88 1 . 1 1 22 22 PHE N N 22 117.773 117.773 115.032 2.741 19108 89 1 . 1 1 22 22 PHE HA H 22 4.273 4.273 4.575 -0.301 19108 90 1 . 1 1 22 22 PHE CA C 22 56.460 56.460 57.132 -0.672 19108 91 1 . 1 1 22 22 PHE CB C 22 37.830 37.830 39.229 -1.399 19108 92 1 . 1 1 22 22 PHE H H 22 8.296 8.296 7.792 0.504 19108 93 1 . 1 1 23 23 ASN N N 23 115.026 115.026 120.561 -5.535 19108 94 1 . 1 1 23 23 ASN HA H 23 4.529 4.529 4.455 0.074 19108 95 1 . 1 1 23 23 ASN CA C 23 53.642 53.642 53.342 0.300 19108 96 1 . 1 1 23 23 ASN CB C 23 36.623 36.623 38.509 -1.886 19108 97 1 . 1 1 23 23 ASN H H 23 6.097 6.097 7.657 -1.560 19108 98 1 . 1 1 24 24 ASN N N 24 122.900 122.900 121.067 1.833 19108 99 1 . 1 1 24 24 ASN HA H 24 4.433 4.433 4.374 0.059 19108 100 1 . 1 1 24 24 ASN CA C 24 53.273 53.273 54.083 -0.810 19108 101 1 . 1 1 24 24 ASN CB C 24 37.892 37.892 38.242 -0.350 19108 102 1 . 1 1 24 24 ASN H H 24 7.083 7.083 7.997 -0.914 19108 103 1 . 1 1 25 25 GLY N N 25 105.587 105.587 109.677 -4.090 19108 104 1 . 1 1 25 25 GLY CA C 25 44.865 44.865 45.092 -0.227 19108 105 1 . 1 1 25 25 GLY H H 25 8.520 8.520 8.391 0.129 19108 106 1 . 1 1 26 26 ILE N N 26 120.182 120.182 118.206 1.976 19108 107 1 . 1 1 26 26 ILE HA H 26 4.174 4.174 4.398 -0.224 19108 108 1 . 1 1 26 26 ILE CA C 26 60.443 60.443 59.187 1.256 19108 109 1 . 1 1 26 26 ILE CB C 26 40.515 40.515 39.636 0.879 19108 110 1 . 1 1 26 26 ILE H H 26 6.944 6.944 7.643 -0.699 19108 111 1 . 1 1 27 27 GLY N N 27 111.665 111.665 107.298 4.367 19108 112 1 . 1 1 27 27 GLY CA C 27 45.319 45.319 45.028 0.291 19108 113 1 . 1 1 27 27 GLY H H 27 8.457 8.457 8.376 0.081 19108 114 1 . 1 1 28 28 ARG N N 28 117.565 117.565 119.721 -2.156 19108 115 1 . 1 1 28 28 ARG CA C 28 53.565 53.565 55.184 -1.619 19108 116 1 . 1 1 28 28 ARG H H 28 6.741 6.741 8.077 -1.337 19108 117 1 . 1 1 29 29 HIS CA C 29 58.003 58.003 56.080 1.923 19108 118 1 . 1 1 29 29 HIS CB C 29 29.044 29.044 29.280 -0.236 19108 119 1 . 1 1 29 29 HIS H H 29 8.636 8.636 8.530 0.106 19108 120 1 . 1 1 30 30 LYS N N 30 119.344 119.344 121.582 -2.238 19108 121 1 . 1 1 30 30 LYS HA H 30 4.421 4.421 4.321 0.100 19108 122 1 . 1 1 30 30 LYS CA C 30 56.864 56.864 55.651 1.213 19108 123 1 . 1 1 30 30 LYS CB C 30 35.191 35.191 33.380 1.811 19108 124 1 . 1 1 30 30 LYS H H 30 7.870 7.870 7.710 0.160 19108 125 1 . 1 1 31 31 THR N N 31 118.233 118.233 114.222 4.011 19108 126 1 . 1 1 31 31 THR HA H 31 4.125 4.125 3.638 0.487 19108 127 1 . 1 1 31 31 THR CA C 31 63.175 63.175 63.062 0.113 19108 128 1 . 1 1 31 31 THR H H 31 8.436 8.436 7.275 1.161 19108 129 1 . 1 1 32 32 TYR N N 32 124.026 124.026 123.841 0.185 19108 130 1 . 1 1 32 32 TYR HA H 32 4.936 4.936 4.933 0.002 19108 131 1 . 1 1 32 32 TYR CA C 32 57.501 57.501 57.532 -0.031 19108 132 1 . 1 1 32 32 TYR CB C 32 44.404 44.404 42.420 1.984 19108 133 1 . 1 1 32 32 TYR H H 32 8.244 8.244 8.696 -0.452 19108 134 1 . 1 1 33 33 LEU N N 33 125.428 125.428 124.519 0.909 19108 135 1 . 1 1 33 33 LEU HA H 33 5.079 5.079 5.331 -0.252 19108 136 1 . 1 1 33 33 LEU CA C 33 54.838 54.838 53.400 1.438 19108 137 1 . 1 1 33 33 LEU CB C 33 46.984 46.984 45.389 1.595 19108 138 1 . 1 1 33 33 LEU H H 33 9.232 9.232 8.669 0.563 19108 139 1 . 1 1 34 34 CYS N N 34 125.975 125.975 126.109 -0.134 19108 140 1 . 1 1 34 34 CYS HA H 34 5.006 5.006 5.008 -0.002 19108 141 1 . 1 1 34 34 CYS CA C 34 57.145 57.145 56.158 0.987 19108 142 1 . 1 1 34 34 CYS CB C 34 28.302 28.302 27.501 0.801 19108 143 1 . 1 1 34 34 CYS H H 34 9.640 9.640 8.968 0.672 19108 144 1 . 1 1 35 35 TYR N N 35 121.183 121.183 122.189 -1.006 19108 145 1 . 1 1 35 35 TYR HA H 35 6.488 6.488 5.626 0.862 19108 146 1 . 1 1 35 35 TYR CA C 35 54.782 54.782 55.013 -0.231 19108 147 1 . 1 1 35 35 TYR CB C 35 43.090 43.090 40.660 2.430 19108 148 1 . 1 1 35 35 TYR H H 35 9.094 9.094 8.622 0.472 19108 149 1 . 1 1 36 36 GLU N N 36 115.538 115.538 122.141 -6.603 19108 150 1 . 1 1 36 36 GLU HA H 36 5.435 5.435 4.928 0.507 19108 151 1 . 1 1 36 36 GLU CA C 36 55.391 55.391 54.780 0.611 19108 152 1 . 1 1 36 36 GLU CB C 36 34.544 34.544 34.490 0.054 19108 153 1 . 1 1 36 36 GLU H H 36 8.977 8.977 8.674 0.303 19108 154 1 . 1 1 37 37 VAL N N 37 121.600 121.600 124.155 -2.555 19108 155 1 . 1 1 37 37 VAL HA H 37 5.159 5.159 4.660 0.499 19108 156 1 . 1 1 37 37 VAL CA C 37 62.048 62.048 61.619 0.429 19108 157 1 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.991 1.079 19108 158 1 . 1 1 37 37 VAL H H 37 9.271 9.271 8.930 0.341 19108 159 1 . 1 1 38 38 GLU N N 38 125.227 125.227 126.200 -0.973 19108 160 1 . 1 1 38 38 GLU HA H 38 5.218 5.218 5.106 0.112 19108 161 1 . 1 1 38 38 GLU CA C 38 54.252 54.252 54.703 -0.451 19108 162 1 . 1 1 38 38 GLU CB C 38 34.927 34.927 33.629 1.298 19108 163 1 . 1 1 38 38 GLU H H 38 9.114 9.114 8.522 0.592 19108 164 1 . 1 1 39 39 ARG N N 39 124.872 124.872 124.233 0.639 19108 165 1 . 1 1 39 39 ARG HA H 39 5.365 5.365 4.298 1.067 19108 166 1 . 1 1 39 39 ARG CA C 39 55.247 55.247 55.141 0.106 19108 167 1 . 1 1 39 39 ARG CB C 39 32.565 32.565 32.193 0.372 19108 168 1 . 1 1 39 39 ARG H H 39 9.215 9.215 8.334 0.881 19108 169 1 . 1 1 40 40 LEU N N 40 126.510 126.510 125.692 0.818 19108 170 1 . 1 1 40 40 LEU HA H 40 4.753 4.753 4.584 0.169 19108 171 1 . 1 1 40 40 LEU CA C 40 54.323 54.323 54.547 -0.224 19108 172 1 . 1 1 40 40 LEU CB C 40 40.843 40.843 43.154 -2.311 19108 173 1 . 1 1 40 40 LEU H H 40 8.659 8.659 7.784 0.875 19108 174 1 . 1 1 41 41 ASP N N 41 124.410 124.410 123.751 0.659 19108 175 1 . 1 1 41 41 ASP HA H 41 4.793 4.793 4.751 0.042 19108 176 1 . 1 1 41 41 ASP CA C 41 53.218 53.218 53.646 -0.428 19108 177 1 . 1 1 41 41 ASP CB C 41 41.733 41.733 42.517 -0.784 19108 178 1 . 1 1 41 41 ASP H H 41 8.575 8.575 8.392 0.183 19108 179 1 . 1 1 42 42 ASN N N 42 123.319 123.319 123.032 0.287 19108 180 1 . 1 1 42 42 ASN HA H 42 4.420 4.420 4.370 0.050 19108 181 1 . 1 1 42 42 ASN CA C 42 54.173 54.173 53.547 0.626 19108 182 1 . 1 1 42 42 ASN CB C 42 37.847 37.847 38.060 -0.213 19108 183 1 . 1 1 42 42 ASN H H 42 9.048 9.048 8.888 0.160 19108 184 1 . 1 1 43 43 GLY N N 43 106.044 106.044 103.013 3.031 19108 185 1 . 1 1 43 43 GLY CA C 43 45.394 45.394 45.421 -0.027 19108 186 1 . 1 1 43 43 GLY H H 43 8.548 8.548 8.347 0.201 19108 187 1 . 1 1 44 44 THR N N 44 115.893 115.893 119.982 -4.089 19108 188 1 . 1 1 44 44 THR HA H 44 4.524 4.524 4.313 0.211 19108 189 1 . 1 1 44 44 THR CA C 44 61.285 61.285 62.545 -1.261 19108 190 1 . 1 1 44 44 THR CB C 44 70.572 70.572 69.072 1.500 19108 191 1 . 1 1 44 44 THR H H 44 7.833 7.833 7.770 0.063 19108 192 1 . 1 1 45 45 SER N N 45 119.589 119.589 123.090 -3.501 19108 193 1 . 1 1 45 45 SER HA H 45 4.804 4.804 4.855 -0.051 19108 194 1 . 1 1 45 45 SER CA C 45 58.080 58.080 57.737 0.343 19108 195 1 . 1 1 45 45 SER CB C 45 64.265 64.265 63.701 0.564 19108 196 1 . 1 1 45 45 SER H H 45 8.590 8.590 8.620 -0.030 19108 197 1 . 1 1 46 46 VAL N N 46 125.827 125.827 125.826 0.001 19108 198 1 . 1 1 46 46 VAL HA H 46 4.293 4.293 4.281 0.012 19108 199 1 . 1 1 46 46 VAL CA C 46 61.843 61.843 61.129 0.714 19108 200 1 . 1 1 46 46 VAL CB C 46 33.517 33.517 32.936 0.581 19108 201 1 . 1 1 46 46 VAL H H 46 9.034 9.034 8.622 0.412 19108 202 1 . 1 1 47 47 LYS N N 47 126.528 126.528 127.343 -0.815 19108 203 1 . 1 1 47 47 LYS HA H 47 4.285 4.285 4.469 -0.184 19108 204 1 . 1 1 47 47 LYS CA C 47 57.665 57.665 56.021 1.644 19108 205 1 . 1 1 47 47 LYS CB C 47 32.792 32.792 33.243 -0.451 19108 206 1 . 1 1 47 47 LYS H H 47 8.738 8.738 8.399 0.339 19108 207 1 . 1 1 48 48 MET N N 48 122.645 122.645 123.955 -1.310 19108 208 1 . 1 1 48 48 MET HA H 48 5.195 5.195 4.598 0.597 19108 209 1 . 1 1 48 48 MET CA C 48 54.747 54.747 55.695 -0.948 19108 210 1 . 1 1 48 48 MET CB C 48 32.379 32.379 33.904 -1.525 19108 211 1 . 1 1 48 48 MET H H 48 8.334 8.334 8.207 0.127 19108 212 1 . 1 1 49 49 ASP N N 49 123.713 123.713 120.763 2.950 19108 213 1 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.554 -0.130 19108 214 1 . 1 1 49 49 ASP CA C 49 56.610 56.610 56.139 0.471 19108 215 1 . 1 1 49 49 ASP CB C 49 41.034 41.034 41.192 -0.158 19108 216 1 . 1 1 49 49 ASP H H 49 8.575 8.575 8.700 -0.125 19108 217 1 . 1 1 50 50 GLN N N 50 117.540 117.540 119.013 -1.473 19108 218 1 . 1 1 50 50 GLN H H 50 9.110 9.110 8.443 0.667 19108 219 1 . 1 1 51 51 HIS HA H 51 5.151 5.151 4.750 0.401 19108 220 1 . 1 1 51 51 HIS CA C 51 54.834 54.834 56.465 -1.631 19108 221 1 . 1 1 51 51 HIS H H 51 8.031 8.031 8.272 -0.241 19108 222 1 . 1 1 52 52 ARG N N 52 117.888 117.888 119.699 -1.811 19108 223 1 . 1 1 52 52 ARG HA H 52 5.237 5.237 4.577 0.660 19108 224 1 . 1 1 52 52 ARG CA C 52 55.055 55.055 54.793 0.262 19108 225 1 . 1 1 52 52 ARG CB C 52 33.054 33.054 32.413 0.641 19108 226 1 . 1 1 52 52 ARG H H 52 7.685 7.685 7.535 0.150 19108 227 1 . 1 1 53 53 GLY N N 53 108.573 108.573 106.484 2.089 19108 228 1 . 1 1 53 53 GLY CA C 53 45.708 45.708 45.152 0.556 19108 229 1 . 1 1 53 53 GLY H H 53 7.529 7.529 7.299 0.230 19108 230 1 . 1 1 54 54 PHE N N 54 113.146 113.146 115.899 -2.753 19108 231 1 . 1 1 54 54 PHE HA H 54 5.995 5.995 5.647 0.348 19108 232 1 . 1 1 54 54 PHE CA C 54 55.856 55.856 56.045 -0.189 19108 233 1 . 1 1 54 54 PHE CB C 54 44.363 44.363 41.898 2.465 19108 234 1 . 1 1 54 54 PHE H H 54 8.287 8.287 7.807 0.480 19108 235 1 . 1 1 55 55 LEU N N 55 119.389 119.389 119.937 -0.548 19108 236 1 . 1 1 55 55 LEU HA H 55 4.695 4.695 4.495 0.200 19108 237 1 . 1 1 55 55 LEU CA C 55 53.712 53.712 53.209 0.503 19108 238 1 . 1 1 55 55 LEU CB C 55 46.628 46.628 46.040 0.588 19108 239 1 . 1 1 55 55 LEU H H 55 9.452 9.452 8.791 0.661 19108 240 1 . 1 1 56 56 HIS N N 56 114.176 114.176 114.928 -0.752 19108 241 1 . 1 1 56 56 HIS HA H 56 5.439 5.439 5.048 0.391 19108 242 1 . 1 1 56 56 HIS CA C 56 53.465 53.465 53.043 0.422 19108 243 1 . 1 1 56 56 HIS CB C 56 31.467 31.467 31.709 -0.242 19108 244 1 . 1 1 56 56 HIS H H 56 7.709 7.709 7.593 0.116 19108 245 1 . 1 1 57 57 ASN N N 57 116.522 116.522 118.992 -2.470 19108 246 1 . 1 1 57 57 ASN HA H 57 4.415 4.415 4.446 -0.031 19108 247 1 . 1 1 57 57 ASN CA C 57 54.184 54.184 53.842 0.342 19108 248 1 . 1 1 57 57 ASN CB C 57 38.662 38.662 39.359 -0.697 19108 249 1 . 1 1 57 57 ASN H H 57 8.684 8.684 8.021 0.663 19108 250 1 . 1 1 58 58 GLN N N 58 122.850 122.850 119.344 3.506 19108 251 1 . 1 1 58 58 GLN HA H 58 4.389 4.389 4.073 0.316 19108 252 1 . 1 1 58 58 GLN CA C 58 54.853 54.853 56.611 -1.758 19108 253 1 . 1 1 58 58 GLN CB C 58 30.382 30.382 29.077 1.306 19108 254 1 . 1 1 58 58 GLN H H 58 9.099 9.099 8.219 0.880 19108 255 1 . 1 1 59 59 ALA HA H 59 4.300 4.300 4.288 0.012 19108 256 1 . 1 1 59 59 ALA CA C 59 52.504 52.504 52.341 0.163 19108 257 1 . 1 1 59 59 ALA CB C 59 19.421 19.421 19.353 0.068 19108 258 1 . 1 1 60 60 LYS N N 60 119.998 119.998 120.356 -0.358 19108 259 1 . 1 1 60 60 LYS HA H 60 3.776 3.776 4.207 -0.431 19108 260 1 . 1 1 60 60 LYS CA C 60 56.301 56.301 56.602 -0.301 19108 261 1 . 1 1 60 60 LYS CB C 60 32.816 32.816 32.458 0.358 19108 262 1 . 1 1 60 60 LYS H H 60 8.344 8.344 8.308 0.036 19108 263 1 . 1 1 61 61 ASN N N 61 119.688 119.688 118.750 0.938 19108 264 1 . 1 1 61 61 ASN HA H 61 4.455 4.455 4.732 -0.277 19108 265 1 . 1 1 61 61 ASN CA C 61 52.904 52.904 53.221 -0.317 19108 266 1 . 1 1 61 61 ASN CB C 61 38.537 38.537 38.561 -0.024 19108 267 1 . 1 1 61 61 ASN H H 61 8.643 8.643 8.461 0.182 19108 268 1 . 1 1 62 62 LEU N N 62 124.761 124.761 120.356 4.405 19108 269 1 . 1 1 62 62 LEU HA H 62 3.934 3.934 4.303 -0.369 19108 270 1 . 1 1 62 62 LEU CA C 62 57.245 57.245 56.755 0.490 19108 271 1 . 1 1 62 62 LEU CB C 62 40.943 40.943 41.599 -0.656 19108 272 1 . 1 1 62 62 LEU H H 62 8.873 8.873 8.279 0.594 19108 273 1 . 1 1 63 63 LEU N N 63 120.312 120.312 119.232 1.080 19108 274 1 . 1 1 63 63 LEU HA H 63 4.199 4.199 4.195 0.004 19108 275 1 . 1 1 63 63 LEU CA C 63 57.077 57.077 57.252 -0.175 19108 276 1 . 1 1 63 63 LEU CB C 63 41.257 41.257 41.689 -0.432 19108 277 1 . 1 1 63 63 LEU H H 63 8.145 8.145 7.969 0.176 19108 278 1 . 1 1 64 64 CYS N N 64 113.898 113.898 116.701 -2.803 19108 279 1 . 1 1 64 64 CYS HA H 64 4.171 4.171 4.507 -0.336 19108 280 1 . 1 1 64 64 CYS CA C 64 57.784 57.784 59.241 -1.457 19108 281 1 . 1 1 64 64 CYS CB C 64 28.718 28.718 28.758 -0.040 19108 282 1 . 1 1 64 64 CYS H H 64 7.376 7.376 8.023 -0.647 19108 283 1 . 1 1 65 65 GLY N N 65 108.894 108.894 108.992 -0.098 19108 284 1 . 1 1 65 65 GLY CA C 65 45.983 45.983 45.365 0.618 19108 285 1 . 1 1 65 65 GLY H H 65 7.789 7.789 7.931 -0.142 19108 286 1 . 1 1 66 66 PHE N N 66 118.711 118.711 118.620 0.091 19108 287 1 . 1 1 66 66 PHE HA H 66 3.917 3.917 4.402 -0.485 19108 288 1 . 1 1 66 66 PHE CA C 66 55.940 55.940 57.856 -1.916 19108 289 1 . 1 1 66 66 PHE CB C 66 40.268 40.268 39.076 1.193 19108 290 1 . 1 1 66 66 PHE H H 66 7.699 7.699 7.618 0.081 19108 291 1 . 1 1 67 67 TYR N N 67 124.623 124.623 121.496 3.127 19108 292 1 . 1 1 67 67 TYR HA H 67 4.300 4.300 4.462 -0.162 19108 293 1 . 1 1 67 67 TYR CA C 67 58.764 58.764 57.864 0.900 19108 294 1 . 1 1 67 67 TYR CB C 67 38.153 38.153 39.137 -0.984 19108 295 1 . 1 1 67 67 TYR H H 67 8.568 8.568 7.760 0.808 19108 296 1 . 1 1 69 69 ARG N N 69 121.427 121.427 121.590 -0.163 19108 297 1 . 1 1 69 69 ARG CA C 69 57.057 57.057 54.602 2.455 19108 298 1 . 1 1 69 69 ARG CB C 69 32.296 32.296 32.848 -0.551 19108 299 1 . 1 1 69 69 ARG H H 69 8.313 8.313 8.022 0.291 19108 300 1 . 1 1 70 70 HIS N N 70 128.351 128.351 121.520 6.831 19108 301 1 . 1 1 70 70 HIS HA H 70 4.782 4.782 4.572 0.210 19108 302 1 . 1 1 70 70 HIS CA C 70 56.716 56.716 55.820 0.896 19108 303 1 . 1 1 70 70 HIS CB C 70 31.776 31.776 30.881 0.895 19108 304 1 . 1 1 70 70 HIS H H 70 9.182 9.182 8.448 0.734 19108 305 1 . 1 1 71 71 ALA N N 71 125.649 125.649 126.562 -0.913 19108 306 1 . 1 1 71 71 ALA HA H 71 3.357 3.357 3.957 -0.600 19108 307 1 . 1 1 71 71 ALA CA C 71 55.782 55.782 54.950 0.832 19108 308 1 . 1 1 71 71 ALA CB C 71 18.010 18.010 18.811 -0.801 19108 309 1 . 1 1 71 71 ALA H H 71 8.968 8.968 8.921 0.047 19108 310 1 . 1 1 72 72 GLU N N 72 119.941 119.941 118.688 1.253 19108 311 1 . 1 1 72 72 GLU HA H 72 2.977 2.977 3.742 -0.765 19108 312 1 . 1 1 72 72 GLU CA C 72 60.956 60.956 59.302 1.654 19108 313 1 . 1 1 72 72 GLU CB C 72 28.006 28.006 29.029 -1.023 19108 314 1 . 1 1 72 72 GLU H H 72 12.692 12.692 8.489 4.203 19108 315 1 . 1 1 73 73 LEU N N 73 114.882 114.882 119.717 -4.835 19108 316 1 . 1 1 73 73 LEU HA H 73 3.585 3.585 4.011 -0.426 19108 317 1 . 1 1 73 73 LEU CA C 73 56.661 56.661 58.061 -1.400 19108 318 1 . 1 1 73 73 LEU CB C 73 39.245 39.245 41.524 -2.279 19108 319 1 . 1 1 73 73 LEU H H 73 6.637 6.637 7.835 -1.198 19108 320 1 . 1 1 74 74 ARG N N 74 117.799 117.799 118.398 -0.599 19108 321 1 . 1 1 74 74 ARG CA C 74 59.042 59.042 58.982 0.060 19108 322 1 . 1 1 74 74 ARG CB C 74 29.175 29.175 29.849 -0.674 19108 323 1 . 1 1 74 74 ARG H H 74 7.556 7.556 7.591 -0.035 19108 324 1 . 1 1 75 75 PHE N N 75 119.783 119.783 119.740 0.043 19108 325 1 . 1 1 75 75 PHE HA H 75 3.561 3.561 4.143 -0.582 19108 326 1 . 1 1 75 75 PHE CA C 75 61.674 61.674 60.091 1.583 19108 327 1 . 1 1 75 75 PHE CB C 75 38.038 38.038 38.950 -0.912 19108 328 1 . 1 1 75 75 PHE H H 75 8.233 8.233 7.818 0.415 19108 329 1 . 1 1 76 76 LEU N N 76 119.526 119.526 120.017 -0.491 19108 330 1 . 1 1 76 76 LEU HA H 76 3.558 3.558 3.436 0.122 19108 331 1 . 1 1 76 76 LEU CA C 76 58.039 58.039 57.161 0.878 19108 332 1 . 1 1 76 76 LEU CB C 76 39.016 39.016 41.471 -2.455 19108 333 1 . 1 1 76 76 LEU H H 76 7.629 7.629 8.020 -0.391 19108 334 1 . 1 1 77 77 ASP N N 77 118.215 118.215 119.165 -0.950 19108 335 1 . 1 1 77 77 ASP HA H 77 4.158 4.158 4.384 -0.226 19108 336 1 . 1 1 77 77 ASP CA C 77 56.400 56.400 56.681 -0.281 19108 337 1 . 1 1 77 77 ASP CB C 77 40.368 40.368 41.151 -0.783 19108 338 1 . 1 1 77 77 ASP H H 77 8.190 8.190 7.851 0.339 19108 339 1 . 1 1 78 78 LEU N N 78 117.496 117.496 116.047 1.449 19108 340 1 . 1 1 78 78 LEU HA H 78 4.290 4.290 4.417 -0.127 19108 341 1 . 1 1 78 78 LEU CA C 78 54.985 54.985 55.493 -0.508 19108 342 1 . 1 1 78 78 LEU CB C 78 42.401 42.401 41.838 0.563 19108 343 1 . 1 1 78 78 LEU H H 78 7.252 7.252 7.308 -0.056 19108 344 1 . 1 1 79 79 VAL N N 79 120.915 120.915 122.441 -1.526 19108 345 1 . 1 1 79 79 VAL HA H 79 3.223 3.223 3.525 -0.302 19108 346 1 . 1 1 79 79 VAL CA C 79 68.528 68.528 68.022 0.506 19108 347 1 . 1 1 79 79 VAL CB C 79 29.120 29.120 29.025 0.095 19108 348 1 . 1 1 79 79 VAL H H 79 7.179 7.179 7.262 -0.083 19108 349 1 . 1 1 80 80 PRO HA H 80 3.975 3.975 4.332 -0.357 19108 350 1 . 1 1 80 80 PRO CA C 80 66.787 66.787 65.580 1.207 19108 351 1 . 1 1 80 80 PRO CB C 80 29.808 29.808 30.966 -1.158 19108 352 1 . 1 1 81 81 SER N N 81 112.727 112.727 113.526 -0.799 19108 353 1 . 1 1 81 81 SER HA H 81 4.314 4.314 4.270 0.044 19108 354 1 . 1 1 81 81 SER CA C 81 60.618 60.618 60.610 0.008 19108 355 1 . 1 1 81 81 SER CB C 81 63.450 63.450 62.987 0.463 19108 356 1 . 1 1 81 81 SER H H 81 7.828 7.828 7.636 0.192 19108 357 1 . 1 1 82 82 LEU N N 82 120.918 120.918 119.863 1.055 19108 358 1 . 1 1 82 82 LEU HA H 82 3.874 3.874 4.455 -0.581 19108 359 1 . 1 1 82 82 LEU CA C 82 55.492 55.492 55.192 0.300 19108 360 1 . 1 1 82 82 LEU CB C 82 40.211 40.211 42.708 -2.497 19108 361 1 . 1 1 82 82 LEU H H 82 7.912 7.912 7.577 0.335 19108 362 1 . 1 1 83 83 GLN N N 83 111.397 111.397 116.483 -5.086 19108 363 1 . 1 1 83 83 GLN HA H 83 3.808 3.808 3.958 -0.150 19108 364 1 . 1 1 83 83 GLN CA C 83 56.166 56.166 56.057 0.109 19108 365 1 . 1 1 83 83 GLN CB C 83 26.668 26.668 26.701 -0.033 19108 366 1 . 1 1 83 83 GLN H H 83 7.458 7.458 7.670 -0.212 19108 367 1 . 1 1 84 84 LEU N N 84 118.520 118.520 120.298 -1.778 19108 368 1 . 1 1 84 84 LEU HA H 84 3.719 3.719 4.081 -0.362 19108 369 1 . 1 1 84 84 LEU CA C 84 54.742 54.742 56.047 -1.305 19108 370 1 . 1 1 84 84 LEU CB C 84 39.245 39.245 42.171 -2.926 19108 371 1 . 1 1 84 84 LEU H H 84 8.736 8.736 8.114 0.622 19108 372 1 . 1 1 85 85 ASP N N 85 126.187 126.187 123.113 3.074 19108 373 1 . 1 1 85 85 ASP HA H 85 4.883 4.883 4.922 -0.039 19108 374 1 . 1 1 85 85 ASP CA C 85 51.346 51.346 51.830 -0.484 19108 375 1 . 1 1 85 85 ASP CB C 85 42.948 42.948 41.609 1.339 19108 376 1 . 1 1 85 85 ASP H H 85 8.415 8.415 8.285 0.130 19108 377 1 . 1 1 86 86 PRO HA H 86 3.928 3.928 3.866 0.062 19108 378 1 . 1 1 86 86 PRO CA C 86 63.638 63.638 63.725 -0.087 19108 379 1 . 1 1 86 86 PRO CB C 86 31.286 31.286 31.809 -0.523 19108 380 1 . 1 1 87 87 ALA N N 87 121.030 121.030 120.847 0.183 19108 381 1 . 1 1 87 87 ALA HA H 87 4.418 4.418 4.097 0.321 19108 382 1 . 1 1 87 87 ALA CA C 87 52.172 52.172 53.890 -1.718 19108 383 1 . 1 1 87 87 ALA CB C 87 19.348 19.348 18.763 0.585 19108 384 1 . 1 1 87 87 ALA H H 87 8.504 8.504 7.955 0.549 19108 385 1 . 1 1 88 88 GLN N N 88 119.601 119.601 115.462 4.139 19108 386 1 . 1 1 88 88 GLN HA H 88 4.522 4.522 4.478 0.044 19108 387 1 . 1 1 88 88 GLN CA C 88 53.434 53.434 54.466 -1.032 19108 388 1 . 1 1 88 88 GLN CB C 88 30.049 30.049 31.233 -1.184 19108 389 1 . 1 1 88 88 GLN H H 88 8.125 8.125 7.936 0.189 19108 390 1 . 1 1 89 89 ILE N N 89 118.195 118.195 118.510 -0.315 19108 391 1 . 1 1 89 89 ILE HA H 89 4.969 4.969 4.704 0.265 19108 392 1 . 1 1 89 89 ILE CA C 89 59.541 59.541 59.983 -0.442 19108 393 1 . 1 1 89 89 ILE CB C 89 39.252 39.252 38.926 0.326 19108 394 1 . 1 1 89 89 ILE H H 89 8.099 8.099 8.368 -0.269 19108 395 1 . 1 1 90 90 TYR N N 90 122.421 122.421 122.663 -0.242 19108 396 1 . 1 1 90 90 TYR HA H 90 5.361 5.361 5.081 0.280 19108 397 1 . 1 1 90 90 TYR CA C 90 56.040 56.040 57.143 -1.103 19108 398 1 . 1 1 90 90 TYR CB C 90 42.826 42.826 43.545 -0.719 19108 399 1 . 1 1 90 90 TYR H H 90 8.892 8.892 8.312 0.580 19108 400 1 . 1 1 91 91 ARG N N 91 121.043 121.043 121.656 -0.613 19108 401 1 . 1 1 91 91 ARG HA H 91 5.243 5.243 4.907 0.336 19108 402 1 . 1 1 91 91 ARG CA C 91 54.535 54.535 55.681 -1.146 19108 403 1 . 1 1 91 91 ARG CB C 91 33.132 33.132 33.120 0.011 19108 404 1 . 1 1 91 91 ARG H H 91 9.327 9.327 8.881 0.446 19108 405 1 . 1 1 92 92 VAL N N 92 132.287 132.287 128.749 3.538 19108 406 1 . 1 1 92 92 VAL HA H 92 4.924 4.924 5.000 -0.076 19108 407 1 . 1 1 92 92 VAL CA C 92 60.905 60.905 61.356 -0.451 19108 408 1 . 1 1 92 92 VAL CB C 92 32.853 32.853 33.013 -0.160 19108 409 1 . 1 1 92 92 VAL H H 92 9.668 9.668 8.793 0.875 19108 410 1 . 1 1 93 93 THR N N 93 124.468 124.468 124.645 -0.177 19108 411 1 . 1 1 93 93 THR HA H 93 5.264 5.264 4.682 0.582 19108 412 1 . 1 1 93 93 THR CA C 93 61.616 61.616 62.481 -0.865 19108 413 1 . 1 1 93 93 THR CB C 93 70.082 70.082 69.778 0.304 19108 414 1 . 1 1 93 93 THR H H 93 9.381 9.381 8.810 0.571 19108 415 1 . 1 1 94 94 TRP N N 94 124.491 124.491 127.879 -3.388 19108 416 1 . 1 1 94 94 TRP HA H 94 5.666 5.666 5.023 0.643 19108 417 1 . 1 1 94 94 TRP CA C 94 52.205 52.205 54.963 -2.758 19108 418 1 . 1 1 94 94 TRP CB C 94 33.668 33.668 30.925 2.742 19108 419 1 . 1 1 94 94 TRP H H 94 9.071 9.071 9.102 -0.031 19108 420 1 . 1 1 95 95 PHE N N 95 122.179 122.179 122.786 -0.607 19108 421 1 . 1 1 95 95 PHE HA H 95 5.670 5.670 4.995 0.675 19108 422 1 . 1 1 95 95 PHE CA C 95 56.774 56.774 57.307 -0.533 19108 423 1 . 1 1 95 95 PHE CB C 95 39.449 39.449 40.365 -0.916 19108 424 1 . 1 1 95 95 PHE H H 95 9.578 9.578 8.737 0.841 19108 425 1 . 1 1 96 96 ILE N N 96 125.072 125.072 122.023 3.049 19108 426 1 . 1 1 96 96 ILE HA H 96 5.973 5.973 5.247 0.726 19108 427 1 . 1 1 96 96 ILE CA C 96 58.427 58.427 59.779 -1.352 19108 428 1 . 1 1 96 96 ILE CB C 96 45.073 45.073 40.427 4.646 19108 429 1 . 1 1 96 96 ILE H H 96 9.816 9.816 8.984 0.832 19108 430 1 . 1 1 97 97 SER N N 97 124.020 124.020 118.646 5.374 19108 431 1 . 1 1 97 97 SER HA H 97 3.623 3.623 4.803 -1.180 19108 432 1 . 1 1 97 97 SER CA C 97 61.750 61.750 59.946 1.804 19108 433 1 . 1 1 97 97 SER CB C 97 63.711 63.711 64.011 -0.300 19108 434 1 . 1 1 97 97 SER H H 97 9.156 9.156 8.497 0.659 19108 435 1 . 1 1 98 98 TRP N N 98 114.829 114.829 121.537 -6.708 19108 436 1 . 1 1 98 98 TRP HA H 98 5.339 5.339 5.189 0.150 19108 437 1 . 1 1 98 98 TRP CA C 98 54.671 54.671 56.984 -2.313 19108 438 1 . 1 1 98 98 TRP CB C 98 34.751 34.751 31.657 3.094 19108 439 1 . 1 1 98 98 TRP H H 98 6.619 6.619 7.823 -1.204 19108 440 1 . 1 1 99 99 SER N N 99 115.444 115.444 118.809 -3.365 19108 441 1 . 1 1 99 99 SER CA C 99 58.045 58.045 57.381 0.664 19108 442 1 . 1 1 99 99 SER CB C 99 61.927 61.927 63.476 -1.549 19108 443 1 . 1 1 99 99 SER H H 99 8.590 8.590 8.344 0.246 19108 444 1 . 1 1 100 100 PRO CA C 100 61.925 61.925 63.277 -1.352 19108 445 1 . 1 1 100 100 PRO CB C 100 34.796 34.796 32.576 2.220 19108 446 1 . 1 1 101 101 CYS N N 101 121.768 121.768 116.353 5.415 19108 447 1 . 1 1 101 101 CYS CA C 101 58.659 58.659 57.612 1.047 19108 448 1 . 1 1 101 101 CYS CB C 101 30.189 30.189 28.956 1.233 19108 449 1 . 1 1 101 101 CYS H H 101 8.686 8.686 8.245 0.441 19108 450 1 . 1 1 102 102 PHE N N 102 115.031 115.031 122.632 -7.601 19108 451 1 . 1 1 102 102 PHE CA C 102 58.960 58.960 56.732 2.228 19108 452 1 . 1 1 102 102 PHE CB C 102 40.157 40.157 40.137 0.020 19108 453 1 . 1 1 102 102 PHE H H 102 9.318 9.318 8.291 1.027 19108 454 1 . 1 1 103 103 SER N N 103 119.552 119.552 123.143 -3.591 19108 455 1 . 1 1 103 103 SER HA H 103 3.713 3.713 4.169 -0.456 19108 456 1 . 1 1 103 103 SER CA C 103 63.368 63.368 61.863 1.505 19108 457 1 . 1 1 103 103 SER CB C 103 60.539 60.539 63.079 -2.540 19108 458 1 . 1 1 103 103 SER H H 103 10.858 10.858 8.858 2.000 19108 459 1 . 1 1 104 104 TRP N N 104 117.909 117.909 121.902 -3.993 19108 460 1 . 1 1 104 104 TRP HA H 104 3.776 3.776 4.772 -0.996 19108 461 1 . 1 1 104 104 TRP CA C 104 59.214 59.214 58.757 0.457 19108 462 1 . 1 1 104 104 TRP CB C 104 27.886 27.886 29.253 -1.367 19108 463 1 . 1 1 104 104 TRP H H 104 7.880 7.880 8.521 -0.641 19108 464 1 . 1 1 105 105 GLY N N 105 106.359 106.359 108.310 -1.951 19108 465 1 . 1 1 105 105 GLY CA C 105 46.081 46.081 47.036 -0.955 19108 466 1 . 1 1 105 105 GLY H H 105 7.468 7.468 8.831 -1.363 19108 467 1 . 1 1 106 106 CYS N N 106 120.359 120.359 120.984 -0.625 19108 468 1 . 1 1 106 106 CYS HA H 106 3.859 3.859 4.562 -0.703 19108 469 1 . 1 1 106 106 CYS CA C 106 67.102 67.102 62.110 4.992 19108 470 1 . 1 1 106 106 CYS CB C 106 28.718 28.718 26.200 2.518 19108 471 1 . 1 1 106 106 CYS H H 106 7.366 7.366 8.175 -0.809 19108 472 1 . 1 1 107 107 ALA N N 107 119.725 119.725 123.281 -3.556 19108 473 1 . 1 1 107 107 ALA HA H 107 3.865 3.865 4.050 -0.185 19108 474 1 . 1 1 107 107 ALA CA C 107 56.934 56.934 55.189 1.745 19108 475 1 . 1 1 107 107 ALA CB C 107 18.443 18.443 18.126 0.317 19108 476 1 . 1 1 107 107 ALA H H 107 8.719 8.719 8.562 0.157 19108 477 1 . 1 1 108 108 GLY N N 108 103.829 103.829 107.170 -3.341 19108 478 1 . 1 1 108 108 GLY CA C 108 46.894 46.894 47.234 -0.340 19108 479 1 . 1 1 108 108 GLY H H 108 8.555 8.555 8.267 0.288 19108 480 1 . 1 1 109 109 GLU N N 109 123.162 123.162 121.968 1.194 19108 481 1 . 1 1 109 109 GLU HA H 109 4.266 4.266 4.091 0.175 19108 482 1 . 1 1 109 109 GLU CA C 109 59.292 59.292 59.227 0.065 19108 483 1 . 1 1 109 109 GLU CB C 109 30.382 30.382 29.462 0.920 19108 484 1 . 1 1 109 109 GLU H H 109 8.023 8.023 7.746 0.277 19108 485 1 . 1 1 110 110 VAL N N 110 121.866 121.866 119.799 2.067 19108 486 1 . 1 1 110 110 VAL HA H 110 3.699 3.699 3.730 -0.031 19108 487 1 . 1 1 110 110 VAL CA C 110 67.043 67.043 66.130 0.913 19108 488 1 . 1 1 110 110 VAL CB C 110 31.006 31.006 31.422 -0.416 19108 489 1 . 1 1 110 110 VAL H H 110 8.942 8.942 7.933 1.009 19108 490 1 . 1 1 111 111 ARG N N 111 120.587 120.587 120.515 0.072 19108 491 1 . 1 1 111 111 ARG HA H 111 3.786 3.786 3.825 -0.039 19108 492 1 . 1 1 111 111 ARG CA C 111 60.081 60.081 59.809 0.272 19108 493 1 . 1 1 111 111 ARG CB C 111 29.175 29.175 29.852 -0.677 19108 494 1 . 1 1 111 111 ARG H H 111 8.653 8.653 8.416 0.237 19108 495 1 . 1 1 112 112 ALA N N 112 120.687 120.687 121.469 -0.782 19108 496 1 . 1 1 112 112 ALA HA H 112 4.134 4.134 4.037 0.097 19108 497 1 . 1 1 112 112 ALA CA C 112 55.418 55.418 54.990 0.428 19108 498 1 . 1 1 112 112 ALA CB C 112 17.991 17.991 18.098 -0.107 19108 499 1 . 1 1 112 112 ALA H H 112 7.875 7.875 7.991 -0.116 19108 500 1 . 1 1 113 113 PHE N N 113 118.950 118.950 119.095 -0.145 19108 501 1 . 1 1 113 113 PHE HA H 113 4.337 4.337 4.185 0.152 19108 502 1 . 1 1 113 113 PHE CA C 113 61.376 61.376 61.459 -0.083 19108 503 1 . 1 1 113 113 PHE CB C 113 39.387 39.387 39.176 0.211 19108 504 1 . 1 1 113 113 PHE H H 113 8.139 8.139 7.700 0.439 19108 505 1 . 1 1 114 114 LEU N N 114 120.595 120.595 119.968 0.627 19108 506 1 . 1 1 114 114 LEU HA H 114 3.800 3.800 3.852 -0.052 19108 507 1 . 1 1 114 114 LEU CA C 114 57.133 57.133 57.879 -0.746 19108 508 1 . 1 1 114 114 LEU CB C 114 40.909 40.909 41.862 -0.953 19108 509 1 . 1 1 114 114 LEU H H 114 8.639 8.639 8.146 0.493 19108 510 1 . 1 1 115 115 GLN N N 115 117.666 117.666 116.687 0.979 19108 511 1 . 1 1 115 115 GLN HA H 115 4.023 4.023 3.953 0.070 19108 512 1 . 1 1 115 115 GLN CA C 115 58.386 58.386 58.490 -0.104 19108 513 1 . 1 1 115 115 GLN CB C 115 28.538 28.538 28.529 0.009 19108 514 1 . 1 1 115 115 GLN H H 115 8.167 8.167 8.305 -0.138 19108 515 1 . 1 1 116 116 GLU N N 116 115.380 115.380 117.019 -1.639 19108 516 1 . 1 1 116 116 GLU HA H 116 4.322 4.322 4.325 -0.003 19108 517 1 . 1 1 116 116 GLU CA C 116 57.062 57.062 56.559 0.503 19108 518 1 . 1 1 116 116 GLU CB C 116 30.715 30.715 30.781 -0.066 19108 519 1 . 1 1 116 116 GLU H H 116 7.448 7.448 7.662 -0.214 19108 520 1 . 1 1 117 117 ASN N N 117 119.831 119.831 117.589 2.242 19108 521 1 . 1 1 117 117 ASN HA H 117 5.065 5.065 4.896 0.169 19108 522 1 . 1 1 117 117 ASN CA C 117 52.185 52.185 52.555 -0.369 19108 523 1 . 1 1 117 117 ASN CB C 117 38.246 38.246 39.004 -0.758 19108 524 1 . 1 1 117 117 ASN H H 117 7.632 7.632 8.024 -0.392 19108 525 1 . 1 1 118 118 THR N N 118 111.041 111.041 115.068 -4.027 19108 526 1 . 1 1 118 118 THR HA H 118 4.317 4.317 4.018 0.299 19108 527 1 . 1 1 118 118 THR CA C 118 64.081 64.081 64.180 -0.099 19108 528 1 . 1 1 118 118 THR CB C 118 68.767 68.767 68.543 0.224 19108 529 1 . 1 1 118 118 THR H H 118 8.054 8.054 7.777 0.277 19108 530 1 . 1 1 119 119 HIS N N 119 120.403 120.403 116.014 4.389 19108 531 1 . 1 1 119 119 HIS HA H 119 4.289 4.289 4.618 -0.329 19108 532 1 . 1 1 119 119 HIS CA C 119 56.601 56.601 55.496 1.105 19108 533 1 . 1 1 119 119 HIS CB C 119 30.320 30.320 28.999 1.321 19108 534 1 . 1 1 119 119 HIS H H 119 9.248 9.248 8.167 1.081 19108 535 1 . 1 1 120 120 VAL N N 120 120.001 120.001 117.148 2.853 19108 536 1 . 1 1 120 120 VAL HA H 120 4.526 4.526 4.721 -0.195 19108 537 1 . 1 1 120 120 VAL CA C 120 61.890 61.890 59.711 2.179 19108 538 1 . 1 1 120 120 VAL CB C 120 32.995 32.995 34.483 -1.488 19108 539 1 . 1 1 120 120 VAL H H 120 7.379 7.379 7.419 -0.040 19108 540 1 . 1 1 121 121 ARG N N 121 125.312 125.312 125.485 -0.173 19108 541 1 . 1 1 121 121 ARG HA H 121 4.810 4.810 4.502 0.308 19108 542 1 . 1 1 121 121 ARG CA C 121 53.067 53.067 54.621 -1.554 19108 543 1 . 1 1 121 121 ARG CB C 121 30.580 30.580 31.647 -1.067 19108 544 1 . 1 1 121 121 ARG H H 121 8.775 8.775 8.329 0.446 19108 545 1 . 1 1 122 122 LEU N N 122 125.483 125.483 124.953 0.530 19108 546 1 . 1 1 122 122 LEU HA H 122 5.160 5.160 4.947 0.213 19108 547 1 . 1 1 122 122 LEU CA C 122 53.301 53.301 53.440 -0.139 19108 548 1 . 1 1 122 122 LEU CB C 122 46.672 46.672 44.231 2.441 19108 549 1 . 1 1 122 122 LEU H H 122 9.345 9.345 8.593 0.752 19108 550 1 . 1 1 123 123 ARG N N 123 127.748 127.748 125.157 2.591 19108 551 1 . 1 1 123 123 ARG HA H 123 4.736 4.736 4.466 0.270 19108 552 1 . 1 1 123 123 ARG CA C 123 54.167 54.167 54.377 -0.210 19108 553 1 . 1 1 123 123 ARG CB C 123 32.812 32.812 32.313 0.499 19108 554 1 . 1 1 123 123 ARG H H 123 9.053 9.053 8.214 0.839 19108 555 1 . 1 1 124 124 ILE N N 124 123.665 123.665 123.576 0.089 19108 556 1 . 1 1 124 124 ILE HA H 124 4.442 4.442 4.243 0.199 19108 557 1 . 1 1 124 124 ILE CA C 124 60.759 60.759 59.929 0.830 19108 558 1 . 1 1 124 124 ILE CB C 124 41.893 41.893 40.019 1.874 19108 559 1 . 1 1 124 124 ILE H H 124 9.019 9.019 8.523 0.496 19108 560 1 . 1 1 125 125 PHE N N 125 126.320 126.320 126.563 -0.243 19108 561 1 . 1 1 125 125 PHE HA H 125 5.165 5.165 5.422 -0.257 19108 562 1 . 1 1 125 125 PHE CA C 125 55.914 55.914 55.615 0.299 19108 563 1 . 1 1 125 125 PHE CB C 125 40.819 40.819 40.977 -0.158 19108 564 1 . 1 1 125 125 PHE H H 125 9.359 9.359 8.118 1.241 19108 565 1 . 1 1 126 126 ALA N N 126 124.526 124.526 127.733 -3.207 19108 566 1 . 1 1 126 126 ALA HA H 126 5.816 5.816 5.059 0.757 19108 567 1 . 1 1 126 126 ALA CA C 126 48.870 48.870 50.629 -1.759 19108 568 1 . 1 1 126 126 ALA CB C 126 20.334 20.334 19.396 0.938 19108 569 1 . 1 1 126 126 ALA H H 126 9.091 9.091 8.516 0.575 19108 570 1 . 1 1 127 127 ALA N N 127 126.272 126.272 128.858 -2.586 19108 571 1 . 1 1 127 127 ALA HA H 127 4.751 4.751 4.465 0.285 19108 572 1 . 1 1 127 127 ALA CA C 127 55.468 55.468 53.789 1.679 19108 573 1 . 1 1 127 127 ALA CB C 127 19.605 19.605 19.809 -0.204 19108 574 1 . 1 1 127 127 ALA H H 127 9.049 9.049 9.132 -0.083 19108 575 1 . 1 1 128 128 ARG N N 128 108.570 108.570 117.732 -9.162 19108 576 1 . 1 1 128 128 ARG CA C 128 54.414 54.414 54.560 -0.146 19108 577 1 . 1 1 128 128 ARG CB C 128 37.206 37.206 33.336 3.870 19108 578 1 . 1 1 128 128 ARG H H 128 6.741 6.741 7.802 -1.061 19108 579 1 . 1 1 129 129 ILE N N 129 121.285 121.285 122.971 -1.686 19108 580 1 . 1 1 129 129 ILE HA H 129 4.291 4.291 4.209 0.082 19108 581 1 . 1 1 129 129 ILE CA C 129 60.867 60.867 60.662 0.205 19108 582 1 . 1 1 129 129 ILE CB C 129 38.829 38.829 38.423 0.406 19108 583 1 . 1 1 129 129 ILE H H 129 8.340 8.340 8.275 0.065 19108 584 1 . 1 1 130 130 TYR N N 130 130.143 130.143 126.399 3.744 19108 585 1 . 1 1 130 130 TYR HA H 130 5.335 5.335 4.409 0.926 19108 586 1 . 1 1 130 130 TYR CA C 130 56.926 56.926 57.711 -0.785 19108 587 1 . 1 1 130 130 TYR CB C 130 38.163 38.163 40.845 -2.682 19108 588 1 . 1 1 130 130 TYR H H 130 8.870 8.870 8.427 0.443 19108 589 1 . 1 1 131 131 ASP N N 131 123.662 123.662 122.525 1.137 19108 590 1 . 1 1 131 131 ASP HA H 131 3.667 3.667 4.879 -1.212 19108 591 1 . 1 1 131 131 ASP CA C 131 54.713 54.713 53.706 1.007 19108 592 1 . 1 1 131 131 ASP CB C 131 38.901 38.901 42.359 -3.458 19108 593 1 . 1 1 131 131 ASP H H 131 8.123 8.123 8.098 0.025 19108 594 1 . 1 1 132 132 TYR N N 132 116.852 116.852 119.545 -2.693 19108 595 1 . 1 1 132 132 TYR HA H 132 3.915 3.915 4.652 -0.737 19108 596 1 . 1 1 132 132 TYR CA C 132 59.468 59.468 59.237 0.231 19108 597 1 . 1 1 132 132 TYR CB C 132 39.037 39.037 39.183 -0.146 19108 598 1 . 1 1 132 132 TYR H H 132 6.448 6.448 8.619 -2.171 19108 599 1 . 1 1 133 133 ASP N N 133 116.930 116.930 118.816 -1.886 19108 600 1 . 1 1 133 133 ASP CA C 133 50.165 50.165 51.696 -1.531 19108 601 1 . 1 1 133 133 ASP CB C 133 42.782 42.782 41.224 1.558 19108 602 1 . 1 1 133 133 ASP H H 133 7.005 7.005 7.882 -0.877 19108 603 1 . 1 1 134 134 PRO HA H 134 4.103 4.103 4.496 -0.393 19108 604 1 . 1 1 134 134 PRO CA C 134 63.701 63.701 63.953 -0.252 19108 605 1 . 1 1 134 134 PRO CB C 134 32.090 32.090 31.722 0.368 19108 606 1 . 1 1 135 135 LEU N N 135 120.252 120.252 119.428 0.824 19108 607 1 . 1 1 135 135 LEU HA H 135 4.698 4.698 4.024 0.673 19108 608 1 . 1 1 135 135 LEU CA C 135 54.381 54.381 56.485 -2.104 19108 609 1 . 1 1 135 135 LEU CB C 135 39.744 39.744 41.375 -1.631 19108 610 1 . 1 1 135 135 LEU H H 135 8.456 8.456 7.892 0.564 19108 611 1 . 1 1 136 136 TYR N N 136 117.432 117.432 118.902 -1.470 19108 612 1 . 1 1 136 136 TYR HA H 136 4.061 4.061 4.024 0.037 19108 613 1 . 1 1 136 136 TYR CA C 136 61.058 61.058 60.107 0.951 19108 614 1 . 1 1 136 136 TYR CB C 136 37.580 37.580 37.194 0.386 19108 615 1 . 1 1 136 136 TYR H H 136 8.028 8.028 7.863 0.165 19108 616 1 . 1 1 137 137 LYS N N 137 122.000 122.000 118.918 3.082 19108 617 1 . 1 1 137 137 LYS CA C 137 60.299 60.299 59.185 1.113 19108 618 1 . 1 1 137 137 LYS CB C 137 30.798 30.798 31.573 -0.775 19108 619 1 . 1 1 137 137 LYS H H 137 7.503 7.503 7.429 0.074 19108 620 1 . 1 1 138 138 GLU N N 138 121.833 121.833 119.228 2.605 19108 621 1 . 1 1 138 138 GLU CA C 138 59.841 59.841 59.080 0.761 19108 622 1 . 1 1 138 138 GLU CB C 138 27.469 27.469 29.308 -1.839 19108 623 1 . 1 1 138 138 GLU H H 138 8.752 8.752 7.936 0.816 19108 624 1 . 1 1 139 139 ALA N N 139 119.592 119.592 122.376 -2.784 19108 625 1 . 1 1 139 139 ALA HA H 139 3.846 3.846 4.104 -0.258 19108 626 1 . 1 1 139 139 ALA CA C 139 55.140 55.140 55.059 0.081 19108 627 1 . 1 1 139 139 ALA CB C 139 20.255 20.255 18.374 1.881 19108 628 1 . 1 1 139 139 ALA H H 139 7.682 7.682 7.642 0.040 19108 629 1 . 1 1 140 140 LEU N N 140 116.268 116.268 119.296 -3.028 19108 630 1 . 1 1 140 140 LEU CA C 140 58.193 58.193 57.971 0.222 19108 631 1 . 1 1 140 140 LEU CB C 140 41.095 41.095 41.530 -0.435 19108 632 1 . 1 1 140 140 LEU H H 140 7.175 7.175 7.757 -0.582 19108 633 1 . 1 1 141 141 GLN N N 141 117.550 117.550 117.939 -0.389 19108 634 1 . 1 1 141 141 GLN HA H 141 3.719 3.719 3.996 -0.277 19108 635 1 . 1 1 141 141 GLN CA C 141 59.051 59.051 58.427 0.624 19108 636 1 . 1 1 141 141 GLN CB C 141 27.594 27.594 28.457 -0.864 19108 637 1 . 1 1 141 141 GLN H H 141 8.322 8.322 7.631 0.691 19108 638 1 . 1 1 142 142 MET N N 142 118.520 118.520 119.577 -1.057 19108 639 1 . 1 1 142 142 MET HA H 142 4.135 4.135 4.050 0.085 19108 640 1 . 1 1 142 142 MET CA C 142 59.051 59.051 58.766 0.285 19108 641 1 . 1 1 142 142 MET CB C 142 33.170 33.170 32.458 0.712 19108 642 1 . 1 1 142 142 MET H H 142 8.241 8.241 8.138 0.103 19108 643 1 . 1 1 143 143 LEU N N 143 118.659 118.659 118.866 -0.207 19108 644 1 . 1 1 143 143 LEU HA H 143 4.292 4.292 4.002 0.290 19108 645 1 . 1 1 143 143 LEU CA C 143 58.115 58.115 57.757 0.358 19108 646 1 . 1 1 143 143 LEU CB C 143 41.377 41.377 41.680 -0.303 19108 647 1 . 1 1 143 143 LEU H H 143 7.932 7.932 8.093 -0.161 19108 648 1 . 1 1 144 144 ARG N N 144 121.294 121.294 119.703 1.591 19108 649 1 . 1 1 144 144 ARG HA H 144 4.426 4.426 3.919 0.507 19108 650 1 . 1 1 144 144 ARG CA C 144 58.989 58.989 59.170 -0.181 19108 651 1 . 1 1 144 144 ARG CB C 144 28.108 28.108 29.716 -1.608 19108 652 1 . 1 1 144 144 ARG H H 144 7.968 7.968 7.717 0.251 19108 653 1 . 1 1 145 145 ASP N N 145 122.553 122.553 118.098 4.455 19108 654 1 . 1 1 145 145 ASP HA H 145 4.429 4.429 4.500 -0.071 19108 655 1 . 1 1 145 145 ASP CA C 145 56.578 56.578 56.002 0.575 19108 656 1 . 1 1 145 145 ASP CB C 145 39.590 39.590 40.704 -1.114 19108 657 1 . 1 1 145 145 ASP H H 145 8.868 8.868 7.853 1.015 19108 658 1 . 1 1 146 146 ALA N N 146 120.102 120.102 120.305 -0.203 19108 659 1 . 1 1 146 146 ALA HA H 146 4.418 4.418 4.351 0.067 19108 660 1 . 1 1 146 146 ALA CA C 146 52.034 52.034 52.458 -0.424 19108 661 1 . 1 1 146 146 ALA CB C 146 19.295 19.295 19.760 -0.465 19108 662 1 . 1 1 146 146 ALA H H 146 7.737 7.737 7.834 -0.097 19108 663 1 . 1 1 147 147 GLY N N 147 105.039 105.039 106.273 -1.234 19108 664 1 . 1 1 147 147 GLY CA C 147 44.864 44.864 44.931 -0.066 19108 665 1 . 1 1 147 147 GLY H H 147 7.966 7.966 7.825 0.141 19108 666 1 . 1 1 148 148 ALA N N 148 124.181 124.181 123.237 0.944 19108 667 1 . 1 1 148 148 ALA HA H 148 4.689 4.689 4.334 0.355 19108 668 1 . 1 1 148 148 ALA CA C 148 51.459 51.459 51.775 -0.316 19108 669 1 . 1 1 148 148 ALA CB C 148 18.479 18.479 20.398 -1.919 19108 670 1 . 1 1 148 148 ALA H H 148 8.051 8.051 7.572 0.479 19108 671 1 . 1 1 149 149 GLN N N 149 122.185 122.185 119.750 2.435 19108 672 1 . 1 1 149 149 GLN HA H 149 4.439 4.439 4.549 -0.110 19108 673 1 . 1 1 149 149 GLN CA C 149 54.955 54.955 54.927 0.028 19108 674 1 . 1 1 149 149 GLN CB C 149 29.421 29.421 30.556 -1.135 19108 675 1 . 1 1 149 149 GLN H H 149 7.953 7.953 7.969 -0.016 19108 676 1 . 1 1 150 150 VAL N N 150 127.399 127.399 123.866 3.533 19108 677 1 . 1 1 150 150 VAL HA H 150 4.752 4.752 4.712 0.040 19108 678 1 . 1 1 150 150 VAL CA C 150 61.439 61.439 60.900 0.539 19108 679 1 . 1 1 150 150 VAL CB C 150 33.178 33.178 32.900 0.278 19108 680 1 . 1 1 150 150 VAL H H 150 8.658 8.658 8.436 0.222 19108 681 1 . 1 1 151 151 SER N N 151 120.616 120.616 121.775 -1.159 19108 682 1 . 1 1 151 151 SER HA H 151 5.179 5.179 4.834 0.345 19108 683 1 . 1 1 151 151 SER CA C 151 56.981 56.981 57.089 -0.108 19108 684 1 . 1 1 151 151 SER CB C 151 66.538 66.538 66.492 0.046 19108 685 1 . 1 1 151 151 SER H H 151 8.737 8.737 8.309 0.428 19108 686 1 . 1 1 152 152 ILE N N 152 123.180 123.180 122.621 0.559 19108 687 1 . 1 1 152 152 ILE HA H 152 5.147 5.147 4.536 0.611 19108 688 1 . 1 1 152 152 ILE CA C 152 56.518 56.518 60.433 -3.915 19108 689 1 . 1 1 152 152 ILE CB C 152 37.080 37.080 39.155 -2.075 19108 690 1 . 1 1 152 152 ILE H H 152 8.672 8.672 8.608 0.064 19108 691 1 . 1 1 153 153 MET N N 153 123.477 123.477 128.958 -5.481 19108 692 1 . 1 1 153 153 MET HA H 153 3.886 3.886 4.426 -0.540 19108 693 1 . 1 1 153 153 MET CA C 153 59.053 59.053 56.640 2.414 19108 694 1 . 1 1 153 153 MET CB C 153 34.793 34.793 32.819 1.974 19108 695 1 . 1 1 153 153 MET H H 153 8.314 8.314 8.234 0.080 19108 696 1 . 1 1 154 154 THR N N 154 117.621 117.621 116.885 0.736 19108 697 1 . 1 1 154 154 THR HA H 154 4.951 4.951 4.711 0.240 19108 698 1 . 1 1 154 154 THR CA C 154 60.436 60.436 59.976 0.460 19108 699 1 . 1 1 154 154 THR CB C 154 72.370 72.370 71.331 1.038 19108 700 1 . 1 1 154 154 THR H H 154 9.630 9.630 7.991 1.639 19108 701 1 . 1 1 155 155 TYR N N 155 121.751 121.751 123.460 -1.709 19108 702 1 . 1 1 155 155 TYR HA H 155 4.099 4.099 4.143 -0.044 19108 703 1 . 1 1 155 155 TYR CA C 155 64.439 64.439 62.118 2.321 19108 704 1 . 1 1 155 155 TYR CB C 155 39.286 39.286 38.212 1.074 19108 705 1 . 1 1 155 155 TYR H H 155 9.769 9.769 8.996 0.773 19108 706 1 . 1 1 156 156 ASP N N 156 115.555 115.555 117.404 -1.849 19108 707 1 . 1 1 156 156 ASP HA H 156 4.108 4.108 3.932 0.176 19108 708 1 . 1 1 156 156 ASP CA C 156 58.260 58.260 57.859 0.401 19108 709 1 . 1 1 156 156 ASP CB C 156 40.618 40.618 40.151 0.467 19108 710 1 . 1 1 156 156 ASP H H 156 8.230 8.230 8.551 -0.321 19108 711 1 . 1 1 157 157 GLU N N 157 117.678 117.678 119.791 -2.112 19108 712 1 . 1 1 157 157 GLU HA H 157 3.870 3.870 3.995 -0.125 19108 713 1 . 1 1 157 157 GLU CA C 157 60.507 60.507 59.153 1.354 19108 714 1 . 1 1 157 157 GLU CB C 157 31.048 31.048 29.234 1.814 19108 715 1 . 1 1 157 157 GLU H H 157 7.470 7.470 7.796 -0.326 19108 716 1 . 1 1 158 158 PHE N N 158 119.869 119.869 119.856 0.013 19108 717 1 . 1 1 158 158 PHE HA H 158 3.829 3.829 3.946 -0.117 19108 718 1 . 1 1 158 158 PHE CA C 158 62.776 62.776 61.534 1.242 19108 719 1 . 1 1 158 158 PHE CB C 158 39.907 39.907 38.594 1.313 19108 720 1 . 1 1 158 158 PHE H H 158 8.077 8.077 8.187 -0.110 19108 721 1 . 1 1 159 159 LYS N N 159 118.859 118.859 119.379 -0.520 19108 722 1 . 1 1 159 159 LYS HA H 159 3.917 3.917 3.757 0.160 19108 723 1 . 1 1 159 159 LYS CA C 159 59.231 59.231 59.871 -0.641 19108 724 1 . 1 1 159 159 LYS CB C 159 31.963 31.963 32.247 -0.284 19108 725 1 . 1 1 159 159 LYS H H 159 8.273 8.273 7.647 0.626 19108 726 1 . 1 1 160 160 HIS N N 160 115.889 115.889 119.115 -3.226 19108 727 1 . 1 1 160 160 HIS HA H 160 4.159 4.159 4.292 -0.133 19108 728 1 . 1 1 160 160 HIS CA C 160 59.981 59.981 59.012 0.969 19108 729 1 . 1 1 160 160 HIS CB C 160 27.930 27.930 29.423 -1.493 19108 730 1 . 1 1 160 160 HIS H H 160 7.695 7.695 7.690 0.005 19108 731 1 . 1 1 161 161 CYS N N 161 118.188 118.188 118.159 0.029 19108 732 1 . 1 1 161 161 CYS HA H 161 3.789 3.789 3.195 0.594 19108 733 1 . 1 1 161 161 CYS CA C 161 63.794 63.794 63.205 0.589 19108 734 1 . 1 1 161 161 CYS CB C 161 27.886 27.886 26.446 1.440 19108 735 1 . 1 1 161 161 CYS H H 161 7.885 7.885 7.943 -0.058 19108 736 1 . 1 1 162 162 TRP N N 162 122.741 122.741 122.177 0.564 19108 737 1 . 1 1 162 162 TRP HA H 162 3.764 3.764 3.397 0.367 19108 738 1 . 1 1 162 162 TRP CA C 162 59.717 59.717 59.717 -0.000 19108 739 1 . 1 1 162 162 TRP CB C 162 28.593 28.593 28.915 -0.323 19108 740 1 . 1 1 162 162 TRP H H 162 8.040 8.040 7.960 0.080 19108 741 1 . 1 1 163 163 ASP N N 163 113.796 113.796 118.241 -4.445 19108 742 1 . 1 1 163 163 ASP HA H 163 4.126 4.126 3.687 0.439 19108 743 1 . 1 1 163 163 ASP CA C 163 56.929 56.929 55.910 1.019 19108 744 1 . 1 1 163 163 ASP CB C 163 40.535 40.535 39.883 0.652 19108 745 1 . 1 1 163 163 ASP H H 163 8.319 8.319 7.900 0.419 19108 746 1 . 1 1 164 164 THR N N 164 112.008 112.008 114.326 -2.318 19108 747 1 . 1 1 164 164 THR HA H 164 3.803 3.803 3.951 -0.148 19108 748 1 . 1 1 164 164 THR CA C 164 65.164 65.164 64.815 0.349 19108 749 1 . 1 1 164 164 THR CB C 164 70.171 70.171 69.022 1.149 19108 750 1 . 1 1 164 164 THR H H 164 7.494 7.494 7.647 -0.153 19108 751 1 . 1 1 165 165 PHE N N 165 115.079 115.079 117.926 -2.847 19108 752 1 . 1 1 165 165 PHE HA H 165 4.535 4.535 4.517 0.018 19108 753 1 . 1 1 165 165 PHE CA C 165 57.969 57.969 57.536 0.433 19108 754 1 . 1 1 165 165 PHE CB C 165 40.368 40.368 40.082 0.286 19108 755 1 . 1 1 165 165 PHE H H 165 8.235 8.235 7.411 0.823 19108 756 1 . 1 1 166 166 VAL N N 166 118.432 118.432 118.613 -0.181 19108 757 1 . 1 1 166 166 VAL HA H 166 4.025 4.025 4.247 -0.222 19108 758 1 . 1 1 166 166 VAL CA C 166 61.001 61.001 60.085 0.916 19108 759 1 . 1 1 166 166 VAL CB C 166 31.355 31.355 34.896 -3.541 19108 760 1 . 1 1 166 166 VAL H H 166 6.838 6.838 7.092 -0.254 19108 761 1 . 1 1 167 167 ASP N N 167 126.263 126.263 126.537 -0.274 19108 762 1 . 1 1 167 167 ASP HA H 167 3.848 3.848 4.496 -0.648 19108 763 1 . 1 1 167 167 ASP CA C 167 51.630 51.630 53.841 -2.211 19108 764 1 . 1 1 167 167 ASP CB C 167 38.080 38.080 39.426 -1.346 19108 765 1 . 1 1 167 167 ASP H H 167 8.498 8.498 8.447 0.051 19108 766 1 . 1 1 168 168 HIS N N 168 119.890 119.890 117.596 2.294 19108 767 1 . 1 1 168 168 HIS HA H 168 4.346 4.346 4.216 0.130 19108 768 1 . 1 1 168 168 HIS CA C 168 56.575 56.575 58.013 -1.438 19108 769 1 . 1 1 168 168 HIS CB C 168 32.462 32.462 29.824 2.638 19108 770 1 . 1 1 168 168 HIS H H 168 6.977 6.977 7.680 -0.703 19108 771 1 . 1 1 169 169 GLN N N 169 119.254 119.254 115.630 3.624 19108 772 1 . 1 1 169 169 GLN HA H 169 3.723 3.723 3.962 -0.239 19108 773 1 . 1 1 169 169 GLN CA C 169 56.770 56.770 56.611 0.159 19108 774 1 . 1 1 169 169 GLN CB C 169 26.521 26.521 27.191 -0.670 19108 775 1 . 1 1 169 169 GLN H H 169 9.126 9.126 8.647 0.479 19108 776 1 . 1 1 170 170 GLY N N 170 111.911 111.911 101.933 9.978 19108 777 1 . 1 1 170 170 GLY CA C 170 44.824 44.824 44.359 0.465 19108 778 1 . 1 1 170 170 GLY H H 170 11.556 11.556 6.162 5.393 19108 779 1 . 1 1 171 171 CYS N N 171 123.390 123.390 121.243 2.147 19108 780 1 . 1 1 171 171 CYS HA H 171 4.716 4.716 4.974 -0.258 19108 781 1 . 1 1 171 171 CYS CA C 171 57.785 57.785 55.955 1.830 19108 782 1 . 1 1 171 171 CYS CB C 171 27.904 27.904 28.887 -0.983 19108 783 1 . 1 1 171 171 CYS H H 171 8.044 8.044 7.307 0.737 19108 784 1 . 1 1 172 172 PRO HA H 172 4.618 4.618 4.695 -0.077 19108 785 1 . 1 1 172 172 PRO CA C 172 61.858 61.858 62.652 -0.794 19108 786 1 . 1 1 172 172 PRO CB C 172 32.529 32.529 32.355 0.174 19108 787 1 . 1 1 173 173 PHE N N 173 121.101 121.101 120.910 0.191 19108 788 1 . 1 1 173 173 PHE HA H 173 2.656 2.656 3.423 -0.767 19108 789 1 . 1 1 173 173 PHE CA C 173 57.541 57.541 57.838 -0.296 19108 790 1 . 1 1 173 173 PHE CB C 173 38.746 38.746 39.318 -0.572 19108 791 1 . 1 1 173 173 PHE H H 173 8.842 8.842 8.013 0.829 19108 792 1 . 1 1 174 174 GLN N N 174 129.493 129.493 125.042 4.451 19108 793 1 . 1 1 174 174 GLN HA H 174 4.317 4.317 4.188 0.129 19108 794 1 . 1 1 174 174 GLN CA C 174 50.795 50.795 52.044 -1.249 19108 795 1 . 1 1 174 174 GLN CB C 174 29.097 29.097 28.718 0.379 19108 796 1 . 1 1 174 174 GLN H H 174 7.250 7.250 7.338 -0.088 19108 797 1 . 1 1 175 175 PRO HA H 175 2.914 2.914 3.763 -0.849 19108 798 1 . 1 1 175 175 PRO CA C 175 62.423 62.423 62.431 -0.008 19108 799 1 . 1 1 176 176 TRP N N 176 118.133 118.133 123.064 -4.931 19108 800 1 . 1 1 176 176 TRP HA H 176 4.633 4.633 4.768 -0.135 19108 801 1 . 1 1 176 176 TRP CA C 176 55.162 55.162 54.871 0.291 19108 802 1 . 1 1 176 176 TRP CB C 176 28.889 28.889 29.551 -0.662 19108 803 1 . 1 1 176 176 TRP H H 176 5.591 5.591 6.999 -1.408 19108 804 1 . 1 1 177 177 ASP N N 177 121.814 121.814 122.001 -0.187 19108 805 1 . 1 1 177 177 ASP HA H 177 4.397 4.397 4.552 -0.155 19108 806 1 . 1 1 177 177 ASP CA C 177 56.172 56.172 54.825 1.346 19108 807 1 . 1 1 177 177 ASP CB C 177 40.675 40.675 39.783 0.892 19108 808 1 . 1 1 177 177 ASP H H 177 8.848 8.848 8.624 0.224 19108 809 1 . 1 1 178 178 GLY N N 178 111.875 111.875 111.058 0.817 19108 810 1 . 1 1 178 178 GLY CA C 178 45.666 45.666 45.312 0.354 19108 811 1 . 1 1 178 178 GLY H H 178 8.987 8.987 8.155 0.832 19108 812 1 . 1 1 179 179 LEU N N 179 121.470 121.470 122.922 -1.452 19108 813 1 . 1 1 179 179 LEU HA H 179 4.488 4.488 4.156 0.332 19108 814 1 . 1 1 179 179 LEU CA C 179 60.782 60.782 58.318 2.464 19108 815 1 . 1 1 179 179 LEU CB C 179 42.229 42.229 41.722 0.507 19108 816 1 . 1 1 179 179 LEU H H 179 7.148 7.148 7.938 -0.790 19108 817 1 . 1 1 180 180 ASP N N 180 119.476 119.476 118.651 0.825 19108 818 1 . 1 1 180 180 ASP HA H 180 4.492 4.492 4.303 0.189 19108 819 1 . 1 1 180 180 ASP CA C 180 57.939 57.939 57.691 0.248 19108 820 1 . 1 1 180 180 ASP CB C 180 40.713 40.713 39.926 0.787 19108 821 1 . 1 1 180 180 ASP H H 180 8.874 8.874 8.628 0.246 19108 822 1 . 1 1 181 181 GLU N N 181 122.379 122.379 120.075 2.304 19108 823 1 . 1 1 181 181 GLU HA H 181 4.012 4.012 3.977 0.035 19108 824 1 . 1 1 181 181 GLU CA C 181 59.969 59.969 59.680 0.289 19108 825 1 . 1 1 181 181 GLU CB C 181 28.926 28.926 29.485 -0.559 19108 826 1 . 1 1 181 181 GLU H H 181 8.712 8.712 8.304 0.408 19108 827 1 . 1 1 182 182 HIS N N 182 118.572 118.572 117.931 0.641 19108 828 1 . 1 1 182 182 HIS HA H 182 4.754 4.754 4.330 0.424 19108 829 1 . 1 1 182 182 HIS CA C 182 59.029 59.029 59.279 -0.250 19108 830 1 . 1 1 182 182 HIS CB C 182 28.848 28.848 29.555 -0.707 19108 831 1 . 1 1 182 182 HIS H H 182 8.854 8.854 8.375 0.479 19108 832 1 . 1 1 183 183 SER N N 183 116.329 116.329 115.123 1.206 19108 833 1 . 1 1 183 183 SER HA H 183 4.554 4.554 4.169 0.385 19108 834 1 . 1 1 183 183 SER CA C 183 63.604 63.604 62.128 1.476 19108 835 1 . 1 1 183 183 SER CB C 183 65.216 65.216 62.797 2.418 19108 836 1 . 1 1 183 183 SER H H 183 8.665 8.665 8.324 0.341 19108 837 1 . 1 1 184 184 GLN N N 184 122.215 122.215 121.036 1.179 19108 838 1 . 1 1 184 184 GLN HA H 184 4.247 4.247 4.072 0.175 19108 839 1 . 1 1 184 184 GLN CA C 184 58.960 58.960 58.681 0.279 19108 840 1 . 1 1 184 184 GLN CB C 184 28.935 28.935 28.594 0.341 19108 841 1 . 1 1 184 184 GLN H H 184 8.714 8.714 7.960 0.754 19108 842 1 . 1 1 185 185 ALA N N 185 124.432 124.432 123.021 1.411 19108 843 1 . 1 1 185 185 ALA HA H 185 4.284 4.284 4.076 0.208 19108 844 1 . 1 1 185 185 ALA CA C 185 55.469 55.469 55.072 0.397 19108 845 1 . 1 1 185 185 ALA CB C 185 18.374 18.374 18.226 0.148 19108 846 1 . 1 1 185 185 ALA H H 185 8.258 8.258 7.861 0.396 19108 847 1 . 1 1 186 186 LEU N N 186 119.941 119.941 118.688 1.253 19108 848 1 . 1 1 186 186 LEU HA H 186 4.212 4.212 3.888 0.324 19108 849 1 . 1 1 186 186 LEU CA C 186 58.216 58.216 58.074 0.142 19108 850 1 . 1 1 186 186 LEU CB C 186 42.764 42.764 41.485 1.279 19108 851 1 . 1 1 186 186 LEU H H 186 8.953 8.953 8.214 0.739 19108 852 1 . 1 1 187 187 SER N N 187 116.987 116.987 114.214 2.773 19108 853 1 . 1 1 187 187 SER HA H 187 4.039 4.039 4.138 -0.099 19108 854 1 . 1 1 187 187 SER CA C 187 63.302 63.302 61.965 1.337 19108 855 1 . 1 1 187 187 SER CB C 187 62.760 62.760 62.623 0.136 19108 856 1 . 1 1 187 187 SER H H 187 8.935 8.935 8.529 0.406 19108 857 1 . 1 1 188 188 GLY N N 188 110.215 110.215 109.618 0.598 19108 858 1 . 1 1 188 188 GLY CA C 188 47.154 47.154 46.776 0.378 19108 859 1 . 1 1 188 188 GLY H H 188 8.228 8.228 8.036 0.192 19108 860 1 . 1 1 189 189 ARG N N 189 122.994 122.994 122.470 0.524 19108 861 1 . 1 1 189 189 ARG HA H 189 4.237 4.237 4.068 0.169 19108 862 1 . 1 1 189 189 ARG CA C 189 59.559 59.559 59.026 0.533 19108 863 1 . 1 1 189 189 ARG CB C 189 30.395 30.395 29.995 0.400 19108 864 1 . 1 1 189 189 ARG H H 189 7.838 7.838 7.643 0.195 19108 865 1 . 1 1 190 190 LEU N N 190 119.765 119.765 120.086 -0.321 19108 866 1 . 1 1 190 190 LEU HA H 190 4.238 4.238 4.088 0.149 19108 867 1 . 1 1 190 190 LEU CA C 190 58.219 58.219 58.126 0.093 19108 868 1 . 1 1 190 190 LEU CB C 190 41.242 41.242 41.659 -0.417 19108 869 1 . 1 1 190 190 LEU H H 190 8.791 8.791 7.886 0.905 19108 870 1 . 1 1 191 191 ARG N N 191 118.427 118.427 118.287 0.140 19108 871 1 . 1 1 191 191 ARG HA H 191 4.043 4.043 3.953 0.090 19108 872 1 . 1 1 191 191 ARG CA C 191 59.782 59.782 59.186 0.596 19108 873 1 . 1 1 191 191 ARG CB C 191 30.191 30.191 30.001 0.190 19108 874 1 . 1 1 191 191 ARG H H 191 8.305 8.305 8.208 0.097 19108 875 1 . 1 1 192 192 ALA N N 192 119.414 119.414 121.665 -2.251 19108 876 1 . 1 1 192 192 ALA HA H 192 4.217 4.217 4.158 0.059 19108 877 1 . 1 1 192 192 ALA CA C 192 54.716 54.716 54.606 0.110 19108 878 1 . 1 1 192 192 ALA CB C 192 18.165 18.165 18.600 -0.435 19108 879 1 . 1 1 192 192 ALA H H 192 7.414 7.414 7.658 -0.244 19108 880 1 . 1 1 193 193 ILE N N 193 118.949 118.949 118.760 0.189 19108 881 1 . 1 1 193 193 ILE HA H 193 3.770 3.770 3.829 -0.059 19108 882 1 . 1 1 193 193 ILE CA C 193 64.838 64.838 63.933 0.905 19108 883 1 . 1 1 193 193 ILE CB C 193 39.446 39.446 38.143 1.303 19108 884 1 . 1 1 193 193 ILE H H 193 7.896 7.896 7.690 0.206 19108 885 1 . 1 1 194 194 LEU N N 194 116.435 116.435 117.916 -1.481 19108 886 1 . 1 1 194 194 LEU HA H 194 4.273 4.273 4.174 0.099 19108 887 1 . 1 1 194 194 LEU CA C 194 55.713 55.713 55.914 -0.201 19108 888 1 . 1 1 194 194 LEU CB C 194 40.471 40.471 42.029 -1.559 19108 889 1 . 1 1 194 194 LEU H H 194 8.296 8.296 7.830 0.466 19108 890 1 . 1 1 195 195 GLN N N 195 118.580 118.580 116.899 1.681 19108 891 1 . 1 1 195 195 GLN HA H 195 4.335 4.335 4.137 0.198 19108 892 1 . 1 1 195 195 GLN CA C 195 56.417 56.417 56.637 -0.220 19108 893 1 . 1 1 195 195 GLN CB C 195 28.598 28.598 27.879 0.719 19108 894 1 . 1 1 195 195 GLN H H 195 7.921 7.921 7.859 0.062 19108 895 1 . 1 1 196 196 ASN N N 196 118.941 118.941 119.109 -0.168 19108 896 1 . 1 1 196 196 ASN HA H 196 4.702 4.702 4.658 0.044 19108 897 1 . 1 1 196 196 ASN CA C 196 53.450 53.450 53.501 -0.051 19108 898 1 . 1 1 196 196 ASN CB C 196 38.825 38.825 39.144 -0.319 19108 899 1 . 1 1 196 196 ASN H H 196 8.078 8.078 8.342 -0.264 19108 900 1 . 1 1 197 197 GLN N N 197 120.984 120.984 120.315 0.669 19108 901 1 . 1 1 197 197 GLN HA H 197 4.356 4.356 4.300 0.056 19108 902 1 . 1 1 197 197 GLN CA C 197 56.166 56.166 56.374 -0.208 19108 903 1 . 1 1 197 197 GLN CB C 197 29.496 29.496 29.369 0.127 19108 904 1 . 1 1 197 197 GLN H H 197 8.526 8.526 8.396 0.130 19108 905 1 . 1 1 198 198 GLY N N 198 109.565 109.565 109.350 0.215 19108 906 1 . 1 1 198 198 GLY CA C 198 45.384 45.384 45.154 0.230 19108 907 1 . 1 1 198 198 GLY H H 198 8.467 8.467 8.463 0.004 19108 stop_ save_