data_19013 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19013 _Entry.PDB_ID 2M4M 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 19013 _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 SER HA H 2 4.167 4.167 4.400 -0.233 19013 2 1 1 . 1 1 2 2 SER C C 2 170.960 170.960 174.832 -3.872 19013 3 1 1 . 1 1 2 2 SER CA C 2 57.139 57.139 59.089 -1.950 19013 4 1 1 . 1 1 2 2 SER CB C 2 63.027 63.027 63.479 -0.452 19013 5 1 1 . 1 1 3 3 LEU N N 3 123.102 123.102 121.915 1.187 19013 6 1 1 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.444 -0.029 19013 7 1 1 . 1 1 3 3 LEU C C 3 177.886 177.886 176.637 1.249 19013 8 1 1 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.358 1.267 19013 9 1 1 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.938 -0.604 19013 10 1 1 . 1 1 4 4 GLY N N 4 110.546 110.546 107.865 2.681 19013 11 1 1 . 1 1 4 4 GLY C C 4 174.473 174.473 173.380 1.093 19013 12 1 1 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.355 0.915 19013 13 1 1 . 1 1 5 5 SER N N 5 115.839 115.839 113.874 1.965 19013 14 1 1 . 1 1 5 5 SER HA H 5 4.472 4.472 4.191 0.281 19013 15 1 1 . 1 1 5 5 SER C C 5 175.085 175.085 173.656 1.429 19013 16 1 1 . 1 1 5 5 SER CA C 5 58.419 58.419 58.903 -0.484 19013 17 1 1 . 1 1 5 5 SER CB C 5 63.648 63.648 63.380 0.268 19013 18 1 1 . 1 1 6 6 GLU N N 6 122.855 122.855 120.885 1.970 19013 19 1 1 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.539 -0.199 19013 20 1 1 . 1 1 6 6 GLU C C 6 176.767 176.767 175.595 1.172 19013 21 1 1 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.369 0.651 19013 22 1 1 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.727 0.058 19013 23 1 1 . 1 1 7 7 SER N N 7 116.046 116.046 117.731 -1.685 19013 24 1 1 . 1 1 7 7 SER HA H 7 4.444 4.444 4.725 -0.281 19013 25 1 1 . 1 1 7 7 SER C C 7 174.946 174.946 173.873 1.073 19013 26 1 1 . 1 1 7 7 SER CA C 7 58.587 58.587 57.325 1.262 19013 27 1 1 . 1 1 7 7 SER CB C 7 63.645 63.645 65.142 -1.498 19013 28 1 1 . 1 1 8 8 GLU N N 8 122.758 122.758 118.611 4.147 19013 29 1 1 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.730 -0.358 19013 30 1 1 . 1 1 8 8 GLU C C 8 176.929 176.929 177.058 -0.129 19013 31 1 1 . 1 1 8 8 GLU CA C 8 56.902 56.902 55.392 1.510 19013 32 1 1 . 1 1 8 8 GLU CB C 8 29.837 29.837 31.219 -1.382 19013 33 1 1 . 1 1 9 9 THR N N 9 113.221 113.221 113.878 -0.657 19013 34 1 1 . 1 1 9 9 THR HA H 9 4.295 4.295 4.080 0.215 19013 35 1 1 . 1 1 9 9 THR C C 9 175.371 175.371 175.597 -0.226 19013 36 1 1 . 1 1 9 9 THR CA C 9 62.279 62.279 64.292 -2.013 19013 37 1 1 . 1 1 9 9 THR CB C 9 69.828 69.828 69.011 0.817 19013 38 1 1 . 1 1 10 10 GLY N N 10 110.774 110.774 108.291 2.483 19013 39 1 1 . 1 1 10 10 GLY C C 10 173.283 173.283 173.846 -0.563 19013 40 1 1 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.243 0.488 19013 41 1 1 . 1 1 11 11 ASN N N 11 116.215 116.215 118.847 -2.632 19013 42 1 1 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.677 -0.410 19013 43 1 1 . 1 1 11 11 ASN C C 11 174.352 174.352 173.435 0.917 19013 44 1 1 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.199 0.268 19013 45 1 1 . 1 1 11 11 ASN CB C 11 39.483 39.483 39.040 0.443 19013 46 1 1 . 1 1 12 12 ALA N N 12 121.979 121.979 121.540 0.439 19013 47 1 1 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.530 0.455 19013 48 1 1 . 1 1 12 12 ALA C C 12 177.325 177.325 175.343 1.982 19013 49 1 1 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.898 -0.361 19013 50 1 1 . 1 1 12 12 ALA CB C 12 21.830 21.830 22.279 -0.449 19013 51 1 1 . 1 1 13 13 VAL N N 13 116.191 116.191 116.494 -0.303 19013 52 1 1 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.123 0.203 19013 53 1 1 . 1 1 13 13 VAL C C 13 175.275 175.275 173.979 1.296 19013 54 1 1 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.061 -0.299 19013 55 1 1 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.132 0.029 19013 56 1 1 . 1 1 14 14 VAL N N 14 119.334 119.334 121.835 -2.501 19013 57 1 1 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.811 0.427 19013 58 1 1 . 1 1 14 14 VAL C C 14 174.716 174.716 175.249 -0.533 19013 59 1 1 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.784 0.512 19013 60 1 1 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.171 2.209 19013 61 1 1 . 1 1 15 15 VAL N N 15 127.812 127.812 128.890 -1.078 19013 62 1 1 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.920 0.388 19013 63 1 1 . 1 1 15 15 VAL C C 15 176.256 176.256 175.422 0.834 19013 64 1 1 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.830 -0.675 19013 65 1 1 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.251 1.050 19013 66 1 1 . 1 1 16 16 PHE N N 16 122.243 122.243 120.997 1.246 19013 67 1 1 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.877 0.042 19013 68 1 1 . 1 1 16 16 PHE C C 16 174.623 174.623 175.053 -0.430 19013 69 1 1 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.248 0.887 19013 70 1 1 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.256 -0.163 19013 71 1 1 . 1 1 17 17 GLY N N 17 106.894 106.894 108.692 -1.798 19013 72 1 1 . 1 1 17 17 GLY C C 17 174.023 174.023 173.453 0.570 19013 73 1 1 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.318 -0.357 19013 74 1 1 . 1 1 18 18 TYR N N 18 115.205 115.205 115.836 -0.631 19013 75 1 1 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.013 -0.147 19013 76 1 1 . 1 1 18 18 TYR C C 18 173.847 173.847 173.044 0.803 19013 77 1 1 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.664 -2.499 19013 78 1 1 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.969 -0.138 19013 79 1 1 . 1 1 19 19 ARG N N 19 116.814 116.814 120.451 -3.637 19013 80 1 1 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.693 -0.238 19013 81 1 1 . 1 1 19 19 ARG C C 19 177.198 177.198 177.138 0.060 19013 82 1 1 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.547 0.381 19013 83 1 1 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.869 -3.148 19013 84 1 1 . 1 1 20 20 GLU N N 20 125.261 125.261 122.498 2.763 19013 85 1 1 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.264 -0.207 19013 86 1 1 . 1 1 20 20 GLU C C 20 180.643 180.643 176.561 4.082 19013 87 1 1 . 1 1 20 20 GLU CA C 20 59.529 59.529 58.682 0.847 19013 88 1 1 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.187 0.676 19013 89 1 1 . 1 1 21 21 ALA N N 21 119.760 119.760 119.626 0.134 19013 90 1 1 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.391 -0.037 19013 91 1 1 . 1 1 21 21 ALA C C 21 179.291 179.291 178.004 1.287 19013 92 1 1 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.647 2.033 19013 93 1 1 . 1 1 21 21 ALA CB C 21 19.410 19.410 19.216 0.194 19013 94 1 1 . 1 1 22 22 ILE N N 22 109.751 109.751 111.450 -1.699 19013 95 1 1 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.587 0.588 19013 96 1 1 . 1 1 22 22 ILE C C 22 175.636 175.636 176.300 -0.664 19013 97 1 1 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.748 -0.517 19013 98 1 1 . 1 1 22 22 ILE CB C 22 38.445 38.445 39.121 -0.676 19013 99 1 1 . 1 1 23 23 THR N N 23 118.763 118.763 119.431 -0.668 19013 100 1 1 . 1 1 23 23 THR HA H 23 3.375 3.375 3.981 -0.606 19013 101 1 1 . 1 1 23 23 THR C C 23 175.159 175.159 176.400 -1.241 19013 102 1 1 . 1 1 23 23 THR CA C 23 68.267 68.267 67.709 0.558 19013 103 1 1 . 1 1 23 23 THR CB C 23 69.564 69.564 68.117 1.447 19013 104 1 1 . 1 1 24 24 LYS N N 24 118.723 118.723 118.880 -0.157 19013 105 1 1 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.016 -0.353 19013 106 1 1 . 1 1 24 24 LYS C C 24 178.421 178.421 179.089 -0.668 19013 107 1 1 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.097 1.957 19013 108 1 1 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.297 0.485 19013 109 1 1 . 1 1 25 25 GLN N N 25 118.276 118.276 119.531 -1.255 19013 110 1 1 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.285 -0.242 19013 111 1 1 . 1 1 25 25 GLN C C 25 179.248 179.248 178.455 0.793 19013 112 1 1 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.425 1.255 19013 113 1 1 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.047 -0.802 19013 114 1 1 . 1 1 26 26 ILE N N 26 122.000 122.000 121.152 0.848 19013 115 1 1 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.869 -0.100 19013 116 1 1 . 1 1 26 26 ILE C C 26 177.797 177.797 177.768 0.029 19013 117 1 1 . 1 1 26 26 ILE CA C 26 62.178 62.178 64.048 -1.870 19013 118 1 1 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.107 -2.516 19013 119 1 1 . 1 1 27 27 LEU N N 27 119.685 119.685 121.241 -1.556 19013 120 1 1 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.037 -0.119 19013 121 1 1 . 1 1 27 27 LEU C C 27 178.173 178.173 177.998 0.175 19013 122 1 1 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.975 0.332 19013 123 1 1 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.817 -0.730 19013 124 1 1 . 1 1 28 28 ALA N N 28 118.927 118.927 120.893 -1.966 19013 125 1 1 . 1 1 28 28 ALA HA H 28 3.862 3.862 3.966 -0.104 19013 126 1 1 . 1 1 28 28 ALA C C 28 179.693 179.693 179.183 0.510 19013 127 1 1 . 1 1 28 28 ALA CA C 28 54.902 54.902 55.044 -0.142 19013 128 1 1 . 1 1 28 28 ALA CB C 28 18.116 18.116 17.631 0.485 19013 129 1 1 . 1 1 29 29 TYR N N 29 119.687 119.687 118.608 1.079 19013 130 1 1 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.138 -0.216 19013 131 1 1 . 1 1 29 29 TYR C C 29 178.234 178.234 177.569 0.665 19013 132 1 1 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.037 0.099 19013 133 1 1 . 1 1 29 29 TYR CB C 29 38.376 38.376 38.602 -0.226 19013 134 1 1 . 1 1 30 30 PHE N N 30 115.353 115.353 117.147 -1.794 19013 135 1 1 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.472 -0.543 19013 136 1 1 . 1 1 30 30 PHE C C 30 180.031 180.031 177.001 3.030 19013 137 1 1 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.965 1.850 19013 138 1 1 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.405 -0.454 19013 139 1 1 . 1 1 31 31 ALA N N 31 125.929 125.929 123.104 2.825 19013 140 1 1 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.537 -0.075 19013 141 1 1 . 1 1 31 31 ALA C C 31 178.235 178.235 178.949 -0.714 19013 142 1 1 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.287 -0.493 19013 143 1 1 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.087 -0.605 19013 144 1 1 . 1 1 32 32 GLN N N 32 113.541 113.541 118.318 -4.777 19013 145 1 1 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.826 0.130 19013 146 1 1 . 1 1 32 32 GLN C C 32 177.465 177.465 176.974 0.491 19013 147 1 1 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.936 -0.977 19013 148 1 1 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.086 0.999 19013 149 1 1 . 1 1 33 33 PHE N N 33 114.638 114.638 114.667 -0.029 19013 150 1 1 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.497 0.153 19013 151 1 1 . 1 1 33 33 PHE C C 33 175.848 175.848 175.947 -0.099 19013 152 1 1 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.205 -2.139 19013 153 1 1 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.017 -3.087 19013 154 1 1 . 1 1 34 34 GLY N N 34 106.452 106.452 104.061 2.391 19013 155 1 1 . 1 1 34 34 GLY C C 34 170.428 170.428 171.774 -1.346 19013 156 1 1 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.357 -0.793 19013 157 1 1 . 1 1 35 35 GLU N N 35 118.228 118.228 118.858 -0.630 19013 158 1 1 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.707 -0.541 19013 159 1 1 . 1 1 35 35 GLU C C 35 175.939 175.939 175.493 0.446 19013 160 1 1 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.609 1.776 19013 161 1 1 . 1 1 35 35 GLU CB C 35 30.115 30.115 32.029 -1.914 19013 162 1 1 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.104 0.460 19013 163 1 1 . 1 1 36 36 ILE C C 36 176.530 176.530 175.398 1.132 19013 164 1 1 . 1 1 36 36 ILE CA C 36 59.847 59.847 62.642 -2.795 19013 165 1 1 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.293 2.301 19013 166 1 1 . 1 1 37 37 LEU N N 37 125.464 125.464 117.296 8.168 19013 167 1 1 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.303 -0.214 19013 168 1 1 . 1 1 37 37 LEU C C 37 178.470 178.470 176.930 1.540 19013 169 1 1 . 1 1 37 37 LEU CA C 37 57.114 57.114 54.148 2.966 19013 170 1 1 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.553 -1.377 19013 171 1 1 . 1 1 38 38 GLU N N 38 120.405 120.405 117.956 2.449 19013 172 1 1 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.196 -0.017 19013 173 1 1 . 1 1 38 38 GLU C C 38 175.620 175.620 175.972 -0.352 19013 174 1 1 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.822 1.808 19013 175 1 1 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.470 -0.919 19013 176 1 1 . 1 1 39 39 ASP N N 39 117.746 117.746 119.547 -1.801 19013 177 1 1 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.594 -0.092 19013 178 1 1 . 1 1 39 39 ASP C C 39 176.811 176.811 174.740 2.071 19013 179 1 1 . 1 1 39 39 ASP CA C 39 53.870 53.870 53.535 0.334 19013 180 1 1 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.244 0.137 19013 181 1 1 . 1 1 40 40 LEU N N 40 127.180 127.180 125.686 1.494 19013 182 1 1 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.646 -0.336 19013 183 1 1 . 1 1 40 40 LEU C C 40 177.950 177.950 174.935 3.015 19013 184 1 1 . 1 1 40 40 LEU CA C 40 55.104 55.104 54.904 0.200 19013 185 1 1 . 1 1 40 40 LEU CB C 40 41.706 41.706 45.052 -3.346 19013 186 1 1 . 1 1 41 41 GLU N N 41 120.599 120.599 126.440 -5.841 19013 187 1 1 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.679 -0.749 19013 188 1 1 . 1 1 41 41 GLU C C 41 178.353 178.353 175.944 2.409 19013 189 1 1 . 1 1 41 41 GLU CA C 41 59.238 59.238 55.298 3.939 19013 190 1 1 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.808 -1.417 19013 191 1 1 . 1 1 42 42 SER N N 42 114.356 114.356 117.226 -2.870 19013 192 1 1 . 1 1 42 42 SER HA H 42 4.209 4.209 4.222 -0.013 19013 193 1 1 . 1 1 42 42 SER C C 42 175.221 175.221 173.701 1.520 19013 194 1 1 . 1 1 42 42 SER CA C 42 60.331 60.331 58.914 1.417 19013 195 1 1 . 1 1 42 42 SER CB C 42 62.849 62.849 63.158 -0.309 19013 196 1 1 . 1 1 43 43 GLU N N 43 119.711 119.711 123.246 -3.535 19013 197 1 1 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.492 -0.206 19013 198 1 1 . 1 1 43 43 GLU C C 43 176.893 176.893 175.831 1.062 19013 199 1 1 . 1 1 43 43 GLU CA C 43 57.593 57.593 55.124 2.469 19013 200 1 1 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.619 0.822 19013 201 1 1 . 1 1 44 44 LEU N N 44 117.788 117.788 124.129 -6.341 19013 202 1 1 . 1 1 44 44 LEU HA H 44 4.354 4.354 3.963 0.391 19013 203 1 1 . 1 1 44 44 LEU C C 44 177.944 177.944 177.346 0.598 19013 204 1 1 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.481 0.460 19013 205 1 1 . 1 1 44 44 LEU CB C 44 42.375 42.375 41.060 1.315 19013 206 1 1 . 1 1 45 45 GLY N N 45 108.349 108.349 109.587 -1.238 19013 207 1 1 . 1 1 45 45 GLY C C 45 173.791 173.791 174.676 -0.885 19013 208 1 1 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.727 -0.090 19013 209 1 1 . 1 1 46 46 ASP N N 46 119.869 119.869 119.176 0.693 19013 210 1 1 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.869 -0.180 19013 211 1 1 . 1 1 46 46 ASP C C 46 176.628 176.628 176.671 -0.043 19013 212 1 1 . 1 1 46 46 ASP CA C 46 54.021 54.021 53.999 0.022 19013 213 1 1 . 1 1 46 46 ASP CB C 46 41.096 41.096 42.783 -1.688 19013 214 1 1 . 1 1 47 47 THR N N 47 113.962 113.962 115.177 -1.215 19013 215 1 1 . 1 1 47 47 THR HA H 47 4.258 4.258 3.852 0.406 19013 216 1 1 . 1 1 47 47 THR C C 47 175.277 175.277 175.125 0.152 19013 217 1 1 . 1 1 47 47 THR CA C 47 62.715 62.715 64.995 -2.280 19013 218 1 1 . 1 1 47 47 THR CB C 47 69.504 69.504 68.350 1.154 19013 219 1 1 . 1 1 48 48 GLU N N 48 121.748 121.748 118.171 3.577 19013 220 1 1 . 1 1 48 48 GLU HA H 48 4.235 4.235 3.910 0.325 19013 221 1 1 . 1 1 48 48 GLU C C 48 177.221 177.221 176.322 0.899 19013 222 1 1 . 1 1 48 48 GLU CA C 48 57.505 57.505 57.649 -0.144 19013 223 1 1 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.844 0.874 19013 224 1 1 . 1 1 49 49 THR N N 49 113.781 113.781 105.476 8.305 19013 225 1 1 . 1 1 49 49 THR HA H 49 4.160 4.160 3.763 0.397 19013 226 1 1 . 1 1 49 49 THR C C 49 174.979 174.979 175.029 -0.050 19013 227 1 1 . 1 1 49 49 THR CA C 49 62.989 62.989 62.535 0.454 19013 228 1 1 . 1 1 49 49 THR CB C 49 69.198 69.198 67.563 1.635 19013 229 1 1 . 1 1 50 50 MET N N 50 121.133 121.133 113.070 8.063 19013 230 1 1 . 1 1 50 50 MET HA H 50 4.295 4.295 3.863 0.432 19013 231 1 1 . 1 1 50 50 MET C C 50 175.846 175.846 175.146 0.700 19013 232 1 1 . 1 1 50 50 MET CA C 50 55.981 55.981 56.938 -0.957 19013 233 1 1 . 1 1 50 50 MET CB C 50 32.549 32.549 30.452 2.097 19013 234 1 1 . 1 1 51 51 ARG N N 51 120.641 120.641 117.842 2.799 19013 235 1 1 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.556 -0.218 19013 236 1 1 . 1 1 51 51 ARG C C 51 176.213 176.213 176.094 0.119 19013 237 1 1 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.326 0.553 19013 238 1 1 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.294 -0.688 19013 239 1 1 . 1 1 52 52 THR N N 52 116.663 116.663 112.378 4.285 19013 240 1 1 . 1 1 52 52 THR HA H 52 4.564 4.564 4.164 0.400 19013 241 1 1 . 1 1 52 52 THR C C 52 172.814 172.814 173.726 -0.912 19013 242 1 1 . 1 1 52 52 THR CA C 52 59.828 59.828 62.028 -2.200 19013 243 1 1 . 1 1 52 52 THR CB C 52 69.498 69.498 68.498 1.000 19013 244 1 1 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.359 -0.019 19013 245 1 1 . 1 1 53 53 PRO C C 53 177.518 177.518 176.693 0.825 19013 246 1 1 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.907 0.083 19013 247 1 1 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.451 0.466 19013 248 1 1 . 1 1 54 54 GLY N N 54 108.804 108.804 104.852 3.952 19013 249 1 1 . 1 1 54 54 GLY C C 54 174.121 174.121 174.621 -0.500 19013 250 1 1 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.700 0.669 19013 251 1 1 . 1 1 55 55 TYR N N 55 119.872 119.872 116.439 3.433 19013 252 1 1 . 1 1 55 55 TYR HA H 55 4.360 4.360 3.845 0.515 19013 253 1 1 . 1 1 55 55 TYR C C 55 175.550 175.550 174.086 1.464 19013 254 1 1 . 1 1 55 55 TYR CA C 55 58.508 58.508 61.331 -2.823 19013 255 1 1 . 1 1 55 55 TYR CB C 55 38.907 38.907 36.867 2.040 19013 256 1 1 . 1 1 56 56 PHE N N 56 121.248 121.248 117.060 4.188 19013 257 1 1 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.830 -0.401 19013 258 1 1 . 1 1 56 56 PHE C C 56 175.354 175.354 174.946 0.408 19013 259 1 1 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.194 1.944 19013 260 1 1 . 1 1 56 56 PHE CB C 56 39.513 39.513 41.716 -2.203 19013 261 1 1 . 1 1 57 57 PHE N N 57 121.226 121.226 120.466 0.760 19013 262 1 1 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.869 -0.396 19013 263 1 1 . 1 1 57 57 PHE C C 57 175.182 175.182 175.459 -0.277 19013 264 1 1 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.944 0.882 19013 265 1 1 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.276 0.253 19013 266 1 1 . 1 1 58 58 GLN N N 58 121.160 121.160 127.793 -6.633 19013 267 1 1 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.455 -0.223 19013 268 1 1 . 1 1 58 58 GLN C C 58 175.287 175.287 174.856 0.431 19013 269 1 1 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.048 0.358 19013 270 1 1 . 1 1 58 58 GLN CB C 58 29.477 29.477 28.651 0.826 19013 271 1 1 . 1 1 59 59 GLN N N 59 120.923 120.923 121.775 -0.852 19013 272 1 1 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.636 -0.350 19013 273 1 1 . 1 1 59 59 GLN C C 59 175.318 175.318 174.028 1.290 19013 274 1 1 . 1 1 59 59 GLN CA C 59 55.297 55.297 54.966 0.331 19013 275 1 1 . 1 1 59 59 GLN CB C 59 29.419 29.419 30.688 -1.269 19013 276 1 1 . 1 1 60 60 ALA N N 60 126.737 126.737 125.148 1.589 19013 277 1 1 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.812 -0.276 19013 278 1 1 . 1 1 60 60 ALA C C 60 175.924 175.924 176.754 -0.830 19013 279 1 1 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.264 1.418 19013 280 1 1 . 1 1 60 60 ALA CB C 60 18.173 18.173 19.981 -1.808 19013 281 1 1 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.320 0.084 19013 282 1 1 . 1 1 61 61 PRO C C 61 176.902 176.902 176.994 -0.092 19013 283 1 1 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.353 -0.804 19013 284 1 1 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.216 -0.235 19013 285 1 1 . 1 1 62 62 ASN N N 62 116.490 116.490 115.930 0.560 19013 286 1 1 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.730 -0.130 19013 287 1 1 . 1 1 62 62 ASN C C 62 174.942 174.942 175.384 -0.442 19013 288 1 1 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.440 -0.141 19013 289 1 1 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.388 -0.367 19013 290 1 1 . 1 1 63 63 ARG N N 63 120.117 120.117 119.954 0.163 19013 291 1 1 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.696 -0.335 19013 292 1 1 . 1 1 63 63 ARG C C 63 175.853 175.853 175.068 0.785 19013 293 1 1 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.180 1.375 19013 294 1 1 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.581 -1.496 19013 295 1 1 . 1 1 64 64 ARG N N 64 123.061 123.061 120.908 2.153 19013 296 1 1 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.320 -0.020 19013 297 1 1 . 1 1 64 64 ARG C C 64 175.995 175.995 177.675 -1.680 19013 298 1 1 . 1 1 64 64 ARG CA C 64 56.003 56.003 57.643 -1.640 19013 299 1 1 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.502 -0.022 19013 300 1 1 . 1 1 65 65 ARG N N 65 123.698 123.698 120.983 2.715 19013 301 1 1 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.165 0.411 19013 302 1 1 . 1 1 65 65 ARG C C 65 176.085 176.085 176.801 -0.716 19013 303 1 1 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.338 -1.890 19013 304 1 1 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.681 0.474 19013 305 1 1 . 1 1 66 66 ILE N N 66 120.928 120.928 119.064 1.864 19013 306 1 1 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.143 0.292 19013 307 1 1 . 1 1 66 66 ILE C C 66 175.488 175.488 175.250 0.238 19013 308 1 1 . 1 1 66 66 ILE CA C 66 60.214 60.214 60.866 -0.652 19013 309 1 1 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.923 1.231 19013 310 1 1 . 1 1 67 67 SER N N 67 119.534 119.534 122.228 -2.694 19013 311 1 1 . 1 1 67 67 SER HA H 67 4.431 4.431 4.435 -0.004 19013 312 1 1 . 1 1 67 67 SER C C 67 174.034 174.034 174.281 -0.247 19013 313 1 1 . 1 1 67 67 SER CA C 67 58.599 58.599 59.553 -0.954 19013 314 1 1 . 1 1 67 67 SER CB C 67 63.499 63.499 63.608 -0.108 19013 315 1 1 . 1 1 68 68 ARG N N 68 124.936 124.936 120.560 4.376 19013 316 1 1 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.440 0.135 19013 317 1 1 . 1 1 68 68 ARG C C 68 175.967 175.967 175.389 0.578 19013 318 1 1 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.340 0.114 19013 319 1 1 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.071 1.402 19013 320 1 1 . 1 1 69 69 GLU N N 69 136.462 136.462 121.309 15.153 19013 321 1 1 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.365 0.140 19013 322 1 1 . 1 1 69 69 GLU C C 69 174.852 174.852 175.854 -1.002 19013 323 1 1 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.262 -0.068 19013 324 1 1 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.601 0.200 19013 325 1 1 . 1 1 70 70 HIS N N 70 120.728 120.728 121.413 -0.685 19013 326 1 1 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.654 -0.918 19013 327 1 1 . 1 1 70 70 HIS C C 70 171.455 171.455 173.189 -1.734 19013 328 1 1 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.558 1.016 19013 329 1 1 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.516 -1.400 19013 330 1 1 . 1 1 71 71 GLY N N 71 108.698 108.698 107.544 1.154 19013 331 1 1 . 1 1 71 71 GLY C C 71 174.611 174.611 173.968 0.643 19013 332 1 1 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.022 0.042 19013 333 1 1 . 1 1 72 72 ARG N N 72 123.350 123.350 118.103 5.247 19013 334 1 1 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.027 0.168 19013 335 1 1 . 1 1 72 72 ARG C C 72 178.495 178.495 176.779 1.716 19013 336 1 1 . 1 1 72 72 ARG CA C 72 60.196 60.196 58.388 1.808 19013 337 1 1 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.652 0.170 19013 338 1 1 . 1 1 73 73 THR N N 73 103.467 103.467 103.108 0.359 19013 339 1 1 . 1 1 73 73 THR HA H 73 4.196 4.196 4.215 -0.019 19013 340 1 1 . 1 1 73 73 THR C C 73 171.300 171.300 173.044 -1.744 19013 341 1 1 . 1 1 73 73 THR CA C 73 59.336 59.336 60.642 -1.306 19013 342 1 1 . 1 1 73 73 THR CB C 73 69.837 69.837 69.631 0.206 19013 343 1 1 . 1 1 74 74 TRP N N 74 112.582 112.582 118.811 -6.229 19013 344 1 1 . 1 1 74 74 TRP HA H 74 5.707 5.707 6.094 -0.387 19013 345 1 1 . 1 1 74 74 TRP C C 74 176.667 176.667 173.838 2.829 19013 346 1 1 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.602 0.280 19013 347 1 1 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.369 0.491 19013 348 1 1 . 1 1 75 75 THR N N 75 114.629 114.629 116.699 -2.070 19013 349 1 1 . 1 1 75 75 THR HA H 75 4.594 4.594 4.832 -0.238 19013 350 1 1 . 1 1 75 75 THR C C 75 170.237 170.237 173.101 -2.864 19013 351 1 1 . 1 1 75 75 THR CA C 75 61.354 61.354 61.029 0.325 19013 352 1 1 . 1 1 75 75 THR CB C 75 69.887 69.887 72.026 -2.139 19013 353 1 1 . 1 1 76 76 LYS N N 76 130.596 130.596 130.004 0.592 19013 354 1 1 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.078 0.644 19013 355 1 1 . 1 1 76 76 LYS C C 76 177.934 177.934 175.888 2.046 19013 356 1 1 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.533 0.507 19013 357 1 1 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.176 1.994 19013 358 1 1 . 1 1 77 77 LEU N N 77 128.006 128.006 129.787 -1.781 19013 359 1 1 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.466 -0.179 19013 360 1 1 . 1 1 77 77 LEU C C 77 174.557 174.557 175.138 -0.581 19013 361 1 1 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.040 1.258 19013 362 1 1 . 1 1 77 77 LEU CB C 77 46.100 46.100 42.833 3.267 19013 363 1 1 . 1 1 78 78 THR N N 78 123.666 123.666 120.691 2.975 19013 364 1 1 . 1 1 78 78 THR HA H 78 4.435 4.435 4.733 -0.298 19013 365 1 1 . 1 1 78 78 THR C C 78 174.067 174.067 173.840 0.227 19013 366 1 1 . 1 1 78 78 THR CA C 78 62.500 62.500 61.698 0.802 19013 367 1 1 . 1 1 78 78 THR CB C 78 67.902 67.902 69.640 -1.738 19013 368 1 1 . 1 1 79 79 TYR N N 79 125.290 125.290 125.016 0.274 19013 369 1 1 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.638 0.314 19013 370 1 1 . 1 1 79 79 TYR C C 79 176.523 176.523 177.216 -0.693 19013 371 1 1 . 1 1 79 79 TYR CA C 79 59.379 59.379 57.921 1.458 19013 372 1 1 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.465 0.354 19013 373 1 1 . 1 1 80 80 ALA N N 80 121.971 121.971 121.673 0.298 19013 374 1 1 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.897 0.163 19013 375 1 1 . 1 1 80 80 ALA C C 80 177.255 177.255 176.591 0.664 19013 376 1 1 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.633 0.297 19013 377 1 1 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.417 1.769 19013 378 1 1 . 1 1 81 81 ASN N N 81 112.786 112.786 118.360 -5.574 19013 379 1 1 . 1 1 81 81 ASN HA H 81 5.097 5.097 5.036 0.061 19013 380 1 1 . 1 1 81 81 ASN C C 81 175.438 175.438 176.055 -0.617 19013 381 1 1 . 1 1 81 81 ASN CA C 81 51.488 51.488 51.685 -0.197 19013 382 1 1 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.605 1.825 19013 383 1 1 . 1 1 82 82 HIS N N 82 123.560 123.560 123.029 0.531 19013 384 1 1 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.525 -0.238 19013 385 1 1 . 1 1 82 82 HIS C C 82 176.494 176.494 176.510 -0.016 19013 386 1 1 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.503 -0.412 19013 387 1 1 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.363 -0.801 19013 388 1 1 . 1 1 83 83 SER N N 83 114.623 114.623 116.591 -1.968 19013 389 1 1 . 1 1 83 83 SER HA H 83 4.095 4.095 4.081 0.014 19013 390 1 1 . 1 1 83 83 SER C C 83 177.619 177.619 177.115 0.504 19013 391 1 1 . 1 1 83 83 SER CA C 83 61.637 61.637 61.390 0.247 19013 392 1 1 . 1 1 83 83 SER CB C 83 61.644 61.644 62.453 -0.809 19013 393 1 1 . 1 1 84 84 SER N N 84 120.863 120.863 117.899 2.964 19013 394 1 1 . 1 1 84 84 SER HA H 84 3.935 3.935 3.996 -0.061 19013 395 1 1 . 1 1 84 84 SER C C 84 173.466 173.466 176.119 -2.653 19013 396 1 1 . 1 1 84 84 SER CA C 84 62.250 62.250 61.132 1.118 19013 397 1 1 . 1 1 84 84 SER CB C 84 62.700 62.700 62.705 -0.005 19013 398 1 1 . 1 1 85 85 TYR N N 85 122.263 122.263 124.094 -1.831 19013 399 1 1 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.145 -0.376 19013 400 1 1 . 1 1 85 85 TYR C C 85 175.010 175.010 177.525 -2.515 19013 401 1 1 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.737 -1.064 19013 402 1 1 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.498 -0.873 19013 403 1 1 . 1 1 86 86 LEU N N 86 117.366 117.366 118.976 -1.610 19013 404 1 1 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.973 -0.436 19013 405 1 1 . 1 1 86 86 LEU C C 86 179.942 179.942 178.846 1.096 19013 406 1 1 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.542 -0.273 19013 407 1 1 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.920 -0.226 19013 408 1 1 . 1 1 87 87 ARG N N 87 118.578 118.578 118.066 0.512 19013 409 1 1 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.931 -0.083 19013 410 1 1 . 1 1 87 87 ARG C C 87 178.784 178.784 177.793 0.991 19013 411 1 1 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.012 -0.571 19013 412 1 1 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.559 -0.618 19013 413 1 1 . 1 1 88 88 ALA N N 88 123.868 123.868 119.227 4.641 19013 414 1 1 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.266 -0.723 19013 415 1 1 . 1 1 88 88 ALA C C 88 179.517 179.517 178.856 0.661 19013 416 1 1 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.403 2.011 19013 417 1 1 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.556 -0.414 19013 418 1 1 . 1 1 89 89 LEU N N 89 114.573 114.573 119.541 -4.968 19013 419 1 1 . 1 1 89 89 LEU HA H 89 3.924 3.924 3.844 0.080 19013 420 1 1 . 1 1 89 89 LEU C C 89 180.088 180.088 176.828 3.260 19013 421 1 1 . 1 1 89 89 LEU CA C 89 57.417 57.417 56.753 0.664 19013 422 1 1 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.980 -0.094 19013 423 1 1 . 1 1 90 90 ARG N N 90 116.735 116.735 116.153 0.582 19013 424 1 1 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.020 0.112 19013 425 1 1 . 1 1 90 90 ARG C C 90 177.429 177.429 176.632 0.797 19013 426 1 1 . 1 1 90 90 ARG CA C 90 57.799 57.799 58.101 -0.302 19013 427 1 1 . 1 1 90 90 ARG CB C 90 29.834 29.834 28.739 1.095 19013 428 1 1 . 1 1 91 91 GLU N N 91 115.787 115.787 119.078 -3.291 19013 429 1 1 . 1 1 91 91 GLU HA H 91 4.147 4.147 3.941 0.206 19013 430 1 1 . 1 1 91 91 GLU C C 91 176.303 176.303 175.686 0.617 19013 431 1 1 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.865 -2.530 19013 432 1 1 . 1 1 91 91 GLU CB C 91 29.705 29.705 28.209 1.496 19013 433 1 1 . 1 1 92 92 HIS N N 92 118.997 118.997 117.593 1.404 19013 434 1 1 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.711 -0.440 19013 435 1 1 . 1 1 92 92 HIS C C 92 176.823 176.823 175.511 1.312 19013 436 1 1 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.509 3.944 19013 437 1 1 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.526 1.286 19013 438 1 1 . 1 1 93 93 GLY N N 93 116.944 116.944 110.155 6.789 19013 439 1 1 . 1 1 93 93 GLY C C 93 174.512 174.512 174.106 0.406 19013 440 1 1 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.118 -0.142 19013 441 1 1 . 1 1 94 94 THR N N 94 117.838 117.838 117.146 0.692 19013 442 1 1 . 1 1 94 94 THR HA H 94 4.059 4.059 4.500 -0.441 19013 443 1 1 . 1 1 94 94 THR C C 94 172.656 172.656 173.478 -0.822 19013 444 1 1 . 1 1 94 94 THR CA C 94 63.330 63.330 62.787 0.543 19013 445 1 1 . 1 1 94 94 THR CB C 94 69.936 69.936 69.038 0.898 19013 446 1 1 . 1 1 95 95 ILE N N 95 124.155 124.155 127.815 -3.660 19013 447 1 1 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.386 0.002 19013 448 1 1 . 1 1 95 95 ILE C C 95 175.534 175.534 174.648 0.886 19013 449 1 1 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.859 -1.083 19013 450 1 1 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.432 -3.442 19013 451 1 1 . 1 1 96 96 TYR N N 96 130.370 130.370 127.903 2.467 19013 452 1 1 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.813 -0.250 19013 453 1 1 . 1 1 96 96 TYR C C 96 174.539 174.539 175.753 -1.214 19013 454 1 1 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.802 -0.346 19013 455 1 1 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.099 0.628 19013 456 1 1 . 1 1 97 97 CYS N N 97 123.936 123.936 126.156 -2.220 19013 457 1 1 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.924 -0.266 19013 458 1 1 . 1 1 97 97 CYS C C 97 175.798 175.798 175.374 0.424 19013 459 1 1 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.381 0.440 19013 460 1 1 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.676 -1.197 19013 461 1 1 . 1 1 98 98 GLY N N 98 103.268 103.268 105.696 -2.428 19013 462 1 1 . 1 1 98 98 GLY C C 98 173.270 173.270 173.216 0.054 19013 463 1 1 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.792 0.520 19013 464 1 1 . 1 1 99 99 ALA N N 99 123.511 123.511 123.436 0.075 19013 465 1 1 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.714 -0.019 19013 466 1 1 . 1 1 99 99 ALA C C 99 175.215 175.215 175.610 -0.395 19013 467 1 1 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.913 -0.134 19013 468 1 1 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.612 0.143 19013 469 1 1 . 1 1 100 100 ALA N N 100 124.957 124.957 125.878 -0.921 19013 470 1 1 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.119 -0.485 19013 471 1 1 . 1 1 100 100 ALA C C 100 177.477 177.477 177.819 -0.342 19013 472 1 1 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.600 -0.077 19013 473 1 1 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.162 -0.993 19013 474 1 1 . 1 1 101 101 ILE N N 101 121.598 121.598 119.500 2.098 19013 475 1 1 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.294 0.161 19013 476 1 1 . 1 1 101 101 ILE C C 101 175.956 175.956 175.614 0.342 19013 477 1 1 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.240 -0.276 19013 478 1 1 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.525 1.310 19013 479 1 1 . 1 1 102 102 GLY N N 102 113.717 113.717 111.891 1.826 19013 480 1 1 . 1 1 102 102 GLY C C 102 172.857 172.857 172.492 0.365 19013 481 1 1 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.725 -1.281 19013 482 1 1 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.166 0.368 19013 483 1 1 . 1 1 103 103 CYS C C 103 172.624 172.624 174.312 -1.688 19013 484 1 1 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.764 0.939 19013 485 1 1 . 1 1 103 103 CYS CB C 103 27.343 27.343 28.235 -0.892 19013 486 1 1 . 1 1 104 104 VAL N N 104 118.519 118.519 123.081 -4.562 19013 487 1 1 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.801 0.104 19013 488 1 1 . 1 1 104 104 VAL C C 104 172.705 172.705 173.344 -0.639 19013 489 1 1 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.917 -0.504 19013 490 1 1 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.073 0.030 19013 491 1 1 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.551 0.064 19013 492 1 1 . 1 1 105 105 PRO C C 105 176.557 176.557 175.689 0.868 19013 493 1 1 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.995 0.559 19013 494 1 1 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.328 0.338 19013 495 1 1 . 1 1 106 106 TYR N N 106 121.923 121.923 123.592 -1.669 19013 496 1 1 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.319 -0.489 19013 497 1 1 . 1 1 106 106 TYR C C 106 174.643 174.643 175.031 -0.388 19013 498 1 1 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.184 0.834 19013 499 1 1 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.990 0.397 19013 500 1 1 . 1 1 107 107 LYS N N 107 124.087 124.087 127.349 -3.262 19013 501 1 1 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.469 -0.288 19013 502 1 1 . 1 1 107 107 LYS C C 107 176.443 176.443 175.327 1.116 19013 503 1 1 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.271 0.506 19013 504 1 1 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.108 0.818 19013 505 1 1 . 1 1 108 108 HIS N N 108 124.171 124.171 126.340 -2.169 19013 506 1 1 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.964 -0.004 19013 507 1 1 . 1 1 108 108 HIS C C 108 176.998 176.998 176.498 0.500 19013 508 1 1 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.596 -0.997 19013 509 1 1 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.359 -1.811 19013 510 1 1 . 1 1 109 109 GLU N N 109 118.941 118.941 119.604 -0.663 19013 511 1 1 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.987 -0.074 19013 512 1 1 . 1 1 109 109 GLU C C 109 177.738 177.738 178.946 -1.208 19013 513 1 1 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.873 0.464 19013 514 1 1 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.123 -0.404 19013 515 1 1 . 1 1 110 110 LEU N N 110 118.555 118.555 120.843 -2.288 19013 516 1 1 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.866 0.135 19013 517 1 1 . 1 1 110 110 LEU C C 110 177.872 177.872 178.044 -0.172 19013 518 1 1 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.483 -1.110 19013 519 1 1 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.423 0.532 19013 520 1 1 . 1 1 111 111 ILE N N 111 117.129 117.129 118.334 -1.205 19013 521 1 1 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.075 -0.105 19013 522 1 1 . 1 1 111 111 ILE C C 111 178.773 178.773 178.319 0.454 19013 523 1 1 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.559 -0.821 19013 524 1 1 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.885 -0.467 19013 525 1 1 . 1 1 112 112 SER N N 112 116.165 116.165 116.764 -0.599 19013 526 1 1 . 1 1 112 112 SER HA H 112 4.000 4.000 3.992 0.008 19013 527 1 1 . 1 1 112 112 SER C C 112 176.313 176.313 176.568 -0.255 19013 528 1 1 . 1 1 112 112 SER CA C 112 61.433 61.433 61.140 0.293 19013 529 1 1 . 1 1 112 112 SER CB C 112 62.188 62.188 63.007 -0.819 19013 530 1 1 . 1 1 113 113 GLU N N 113 120.732 120.732 122.026 -1.294 19013 531 1 1 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.030 -0.044 19013 532 1 1 . 1 1 113 113 GLU C C 113 178.799 178.799 178.446 0.353 19013 533 1 1 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.701 -0.180 19013 534 1 1 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.277 0.105 19013 535 1 1 . 1 1 114 114 LEU N N 114 119.452 119.452 119.095 0.357 19013 536 1 1 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.727 -0.004 19013 537 1 1 . 1 1 114 114 LEU C C 114 179.184 179.184 178.842 0.342 19013 538 1 1 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.747 -1.063 19013 539 1 1 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.048 -1.062 19013 540 1 1 . 1 1 115 115 SER N N 115 112.708 112.708 112.497 0.211 19013 541 1 1 . 1 1 115 115 SER HA H 115 4.615 4.615 4.646 -0.031 19013 542 1 1 . 1 1 115 115 SER C C 115 174.994 174.994 176.438 -1.444 19013 543 1 1 . 1 1 115 115 SER CA C 115 59.706 59.706 61.243 -1.537 19013 544 1 1 . 1 1 115 115 SER CB C 115 63.512 63.512 62.916 0.596 19013 545 1 1 . 1 1 116 116 ARG N N 116 121.600 121.600 122.183 -0.583 19013 546 1 1 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.179 0.062 19013 547 1 1 . 1 1 116 116 ARG C C 116 176.893 176.893 179.027 -2.134 19013 548 1 1 . 1 1 116 116 ARG CA C 116 57.022 57.022 59.351 -2.329 19013 549 1 1 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.231 -0.068 19013 550 1 1 . 1 1 117 117 GLU N N 117 120.450 120.450 119.805 0.645 19013 551 1 1 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.256 -0.016 19013 552 1 1 . 1 1 117 117 GLU C C 117 177.260 177.260 178.413 -1.153 19013 553 1 1 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.879 -0.837 19013 554 1 1 . 1 1 117 117 GLU CB C 117 29.763 29.763 30.193 -0.430 19013 555 1 1 . 1 1 118 118 GLY N N 118 108.905 108.905 108.875 0.030 19013 556 1 1 . 1 1 118 118 GLY C C 118 174.225 174.225 173.712 0.513 19013 557 1 1 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.026 1.357 19013 558 1 1 . 1 1 119 119 HIS N N 119 117.625 117.625 122.724 -5.099 19013 559 1 1 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.816 -0.157 19013 560 1 1 . 1 1 119 119 HIS C C 119 174.439 174.439 175.095 -0.656 19013 561 1 1 . 1 1 119 119 HIS CA C 119 55.413 55.413 57.385 -1.972 19013 562 1 1 . 1 1 119 119 HIS CB C 119 28.904 28.904 30.078 -1.174 19013 563 1 1 . 1 1 120 120 HIS N N 120 119.015 119.015 123.090 -4.075 19013 564 1 1 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.889 -0.217 19013 565 1 1 . 1 1 120 120 HIS C C 120 174.259 174.259 174.422 -0.163 19013 566 1 1 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.761 -0.440 19013 567 1 1 . 1 1 120 120 HIS CB C 120 29.098 29.098 31.612 -2.514 19013 568 1 1 . 1 1 121 121 HIS N N 121 119.872 119.872 118.120 1.752 19013 569 1 1 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.534 0.146 19013 570 1 1 . 1 1 121 121 HIS C C 121 174.245 174.245 173.458 0.787 19013 571 1 1 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.215 0.174 19013 572 1 1 . 1 1 121 121 HIS CB C 121 29.259 29.259 33.152 -3.893 19013 573 1 1 . 1 1 122 122 HIS N N 122 120.597 120.597 118.715 1.882 19013 574 1 1 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.739 -0.052 19013 575 1 1 . 1 1 122 122 HIS C C 122 174.101 174.101 176.496 -2.395 19013 576 1 1 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.450 -1.064 19013 577 1 1 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.509 -1.160 19013 578 1 1 . 1 1 123 123 HIS N N 123 120.680 120.680 120.615 0.065 19013 579 1 1 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.075 0.581 19013 580 1 1 . 1 1 123 123 HIS C C 123 173.591 173.591 174.229 -0.638 19013 581 1 1 . 1 1 123 123 HIS CA C 123 55.563 55.563 58.158 -2.595 19013 582 1 1 . 1 1 123 123 HIS CB C 123 29.456 29.456 28.706 0.750 19013 583 1 2 . 1 1 2 2 SER HA H 2 4.167 4.167 4.522 -0.355 19013 584 1 2 . 1 1 2 2 SER C C 2 170.960 170.960 174.542 -3.582 19013 585 1 2 . 1 1 2 2 SER CA C 2 57.139 57.139 57.806 -0.667 19013 586 1 2 . 1 1 2 2 SER CB C 2 63.027 63.027 63.894 -0.867 19013 587 1 2 . 1 1 3 3 LEU N N 3 123.102 123.102 125.685 -2.583 19013 588 1 2 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.428 -0.013 19013 589 1 2 . 1 1 3 3 LEU C C 3 177.886 177.886 177.280 0.606 19013 590 1 2 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.662 0.963 19013 591 1 2 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.338 0.996 19013 592 1 2 . 1 1 4 4 GLY N N 4 110.546 110.546 111.702 -1.156 19013 593 1 2 . 1 1 4 4 GLY C C 4 174.473 174.473 174.117 0.356 19013 594 1 2 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.167 0.103 19013 595 1 2 . 1 1 5 5 SER N N 5 115.839 115.839 120.522 -4.683 19013 596 1 2 . 1 1 5 5 SER HA H 5 4.472 4.472 4.609 -0.137 19013 597 1 2 . 1 1 5 5 SER C C 5 175.085 175.085 174.555 0.530 19013 598 1 2 . 1 1 5 5 SER CA C 5 58.419 58.419 57.313 1.106 19013 599 1 2 . 1 1 5 5 SER CB C 5 63.648 63.648 65.945 -2.297 19013 600 1 2 . 1 1 6 6 GLU N N 6 122.855 122.855 121.998 0.857 19013 601 1 2 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.367 -0.027 19013 602 1 2 . 1 1 6 6 GLU C C 6 176.767 176.767 177.724 -0.957 19013 603 1 2 . 1 1 6 6 GLU CA C 6 57.020 57.020 57.019 0.001 19013 604 1 2 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.725 0.060 19013 605 1 2 . 1 1 7 7 SER N N 7 116.046 116.046 115.790 0.256 19013 606 1 2 . 1 1 7 7 SER HA H 7 4.444 4.444 4.241 0.203 19013 607 1 2 . 1 1 7 7 SER C C 7 174.946 174.946 175.444 -0.498 19013 608 1 2 . 1 1 7 7 SER CA C 7 58.587 58.587 60.241 -1.654 19013 609 1 2 . 1 1 7 7 SER CB C 7 63.645 63.645 63.249 0.396 19013 610 1 2 . 1 1 8 8 GLU N N 8 122.758 122.758 121.704 1.054 19013 611 1 2 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.474 -0.102 19013 612 1 2 . 1 1 8 8 GLU C C 8 176.929 176.929 175.051 1.878 19013 613 1 2 . 1 1 8 8 GLU CA C 8 56.902 56.902 55.150 1.752 19013 614 1 2 . 1 1 8 8 GLU CB C 8 29.837 29.837 28.780 1.056 19013 615 1 2 . 1 1 9 9 THR N N 9 113.221 113.221 110.904 2.317 19013 616 1 2 . 1 1 9 9 THR HA H 9 4.295 4.295 3.970 0.325 19013 617 1 2 . 1 1 9 9 THR C C 9 175.371 175.371 175.173 0.198 19013 618 1 2 . 1 1 9 9 THR CA C 9 62.279 62.279 62.759 -0.480 19013 619 1 2 . 1 1 9 9 THR CB C 9 69.828 69.828 66.709 3.119 19013 620 1 2 . 1 1 10 10 GLY N N 10 110.774 110.774 108.536 2.238 19013 621 1 2 . 1 1 10 10 GLY C C 10 173.283 173.283 173.441 -0.158 19013 622 1 2 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.190 0.541 19013 623 1 2 . 1 1 11 11 ASN N N 11 116.215 116.215 114.428 1.787 19013 624 1 2 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.828 -0.561 19013 625 1 2 . 1 1 11 11 ASN C C 11 174.352 174.352 173.759 0.593 19013 626 1 2 . 1 1 11 11 ASN CA C 11 52.467 52.467 51.764 0.703 19013 627 1 2 . 1 1 11 11 ASN CB C 11 39.483 39.483 37.960 1.523 19013 628 1 2 . 1 1 12 12 ALA N N 12 121.979 121.979 121.308 0.671 19013 629 1 2 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.354 0.631 19013 630 1 2 . 1 1 12 12 ALA C C 12 177.325 177.325 175.699 1.626 19013 631 1 2 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.740 -0.203 19013 632 1 2 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.976 -0.146 19013 633 1 2 . 1 1 13 13 VAL N N 13 116.191 116.191 116.410 -0.219 19013 634 1 2 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.204 0.122 19013 635 1 2 . 1 1 13 13 VAL C C 13 175.275 175.275 174.114 1.161 19013 636 1 2 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.218 -0.456 19013 637 1 2 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.391 -0.230 19013 638 1 2 . 1 1 14 14 VAL N N 14 119.334 119.334 122.601 -3.267 19013 639 1 2 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.742 0.496 19013 640 1 2 . 1 1 14 14 VAL C C 14 174.716 174.716 175.035 -0.319 19013 641 1 2 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.965 0.331 19013 642 1 2 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.212 2.168 19013 643 1 2 . 1 1 15 15 VAL N N 15 127.812 127.812 128.744 -0.932 19013 644 1 2 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.263 0.045 19013 645 1 2 . 1 1 15 15 VAL C C 15 176.256 176.256 175.177 1.079 19013 646 1 2 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.321 -0.166 19013 647 1 2 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.271 0.030 19013 648 1 2 . 1 1 16 16 PHE N N 16 122.243 122.243 120.246 1.997 19013 649 1 2 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.491 0.428 19013 650 1 2 . 1 1 16 16 PHE C C 16 174.623 174.623 174.601 0.022 19013 651 1 2 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.326 0.809 19013 652 1 2 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.193 -0.100 19013 653 1 2 . 1 1 17 17 GLY N N 17 106.894 106.894 108.080 -1.186 19013 654 1 2 . 1 1 17 17 GLY C C 17 174.023 174.023 173.452 0.571 19013 655 1 2 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.325 -0.364 19013 656 1 2 . 1 1 18 18 TYR N N 18 115.205 115.205 118.808 -3.603 19013 657 1 2 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.995 -0.129 19013 658 1 2 . 1 1 18 18 TYR C C 18 173.847 173.847 175.212 -1.365 19013 659 1 2 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.106 -1.941 19013 660 1 2 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.573 0.258 19013 661 1 2 . 1 1 19 19 ARG N N 19 116.814 116.814 124.686 -7.872 19013 662 1 2 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.067 0.388 19013 663 1 2 . 1 1 19 19 ARG C C 19 177.198 177.198 176.342 0.856 19013 664 1 2 . 1 1 19 19 ARG CA C 19 54.928 54.928 58.862 -3.934 19013 665 1 2 . 1 1 19 19 ARG CB C 19 30.721 30.721 30.808 -0.087 19013 666 1 2 . 1 1 20 20 GLU N N 20 125.261 125.261 115.756 9.505 19013 667 1 2 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.379 -0.322 19013 668 1 2 . 1 1 20 20 GLU C C 20 180.643 180.643 176.005 4.638 19013 669 1 2 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.617 1.912 19013 670 1 2 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.502 0.361 19013 671 1 2 . 1 1 21 21 ALA N N 21 119.760 119.760 122.177 -2.417 19013 672 1 2 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.291 0.063 19013 673 1 2 . 1 1 21 21 ALA C C 21 179.291 179.291 178.161 1.130 19013 674 1 2 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.557 1.123 19013 675 1 2 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.456 0.954 19013 676 1 2 . 1 1 22 22 ILE N N 22 109.751 109.751 111.450 -1.699 19013 677 1 2 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.295 0.880 19013 678 1 2 . 1 1 22 22 ILE C C 22 175.636 175.636 176.524 -0.888 19013 679 1 2 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.973 -0.742 19013 680 1 2 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.883 1.562 19013 681 1 2 . 1 1 23 23 THR N N 23 118.763 118.763 119.266 -0.503 19013 682 1 2 . 1 1 23 23 THR HA H 23 3.375 3.375 3.764 -0.389 19013 683 1 2 . 1 1 23 23 THR C C 23 175.159 175.159 176.444 -1.285 19013 684 1 2 . 1 1 23 23 THR CA C 23 68.267 68.267 67.084 1.183 19013 685 1 2 . 1 1 23 23 THR CB C 23 69.564 69.564 68.503 1.061 19013 686 1 2 . 1 1 24 24 LYS N N 24 118.723 118.723 119.617 -0.894 19013 687 1 2 . 1 1 24 24 LYS HA H 24 3.663 3.663 3.944 -0.281 19013 688 1 2 . 1 1 24 24 LYS C C 24 178.421 178.421 178.965 -0.544 19013 689 1 2 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.807 1.247 19013 690 1 2 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.709 0.072 19013 691 1 2 . 1 1 25 25 GLN N N 25 118.276 118.276 119.256 -0.980 19013 692 1 2 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.140 -0.097 19013 693 1 2 . 1 1 25 25 GLN C C 25 179.248 179.248 178.430 0.818 19013 694 1 2 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.782 0.898 19013 695 1 2 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.793 -0.548 19013 696 1 2 . 1 1 26 26 ILE N N 26 122.000 122.000 120.787 1.213 19013 697 1 2 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.642 0.127 19013 698 1 2 . 1 1 26 26 ILE C C 26 177.797 177.797 177.733 0.064 19013 699 1 2 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.587 -1.409 19013 700 1 2 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.972 -2.381 19013 701 1 2 . 1 1 27 27 LEU N N 27 119.685 119.685 122.145 -2.460 19013 702 1 2 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.012 -0.094 19013 703 1 2 . 1 1 27 27 LEU C C 27 178.173 178.173 177.774 0.399 19013 704 1 2 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.825 0.482 19013 705 1 2 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.405 -0.318 19013 706 1 2 . 1 1 28 28 ALA N N 28 118.927 118.927 121.299 -2.372 19013 707 1 2 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.032 -0.170 19013 708 1 2 . 1 1 28 28 ALA C C 28 179.693 179.693 178.825 0.868 19013 709 1 2 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.957 -0.055 19013 710 1 2 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.140 -0.024 19013 711 1 2 . 1 1 29 29 TYR N N 29 119.687 119.687 117.777 1.910 19013 712 1 2 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.385 -0.463 19013 713 1 2 . 1 1 29 29 TYR C C 29 178.234 178.234 177.218 1.016 19013 714 1 2 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.834 0.302 19013 715 1 2 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.992 -1.616 19013 716 1 2 . 1 1 30 30 PHE N N 30 115.353 115.353 118.495 -3.142 19013 717 1 2 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.511 -0.582 19013 718 1 2 . 1 1 30 30 PHE C C 30 180.031 180.031 176.722 3.309 19013 719 1 2 . 1 1 30 30 PHE CA C 30 61.815 61.815 60.138 1.677 19013 720 1 2 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.971 -1.020 19013 721 1 2 . 1 1 31 31 ALA N N 31 125.929 125.929 122.420 3.509 19013 722 1 2 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.580 -0.118 19013 723 1 2 . 1 1 31 31 ALA C C 31 178.235 178.235 178.445 -0.210 19013 724 1 2 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.026 -0.232 19013 725 1 2 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.447 -0.965 19013 726 1 2 . 1 1 32 32 GLN N N 32 113.541 113.541 117.887 -4.346 19013 727 1 2 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.022 -0.066 19013 728 1 2 . 1 1 32 32 GLN C C 32 177.465 177.465 177.165 0.300 19013 729 1 2 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.818 -0.859 19013 730 1 2 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.346 0.739 19013 731 1 2 . 1 1 33 33 PHE N N 33 114.638 114.638 116.538 -1.900 19013 732 1 2 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.460 0.190 19013 733 1 2 . 1 1 33 33 PHE C C 33 175.848 175.848 175.990 -0.142 19013 734 1 2 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.863 -2.797 19013 735 1 2 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.642 -2.712 19013 736 1 2 . 1 1 34 34 GLY N N 34 106.452 106.452 103.888 2.564 19013 737 1 2 . 1 1 34 34 GLY C C 34 170.428 170.428 171.732 -1.304 19013 738 1 2 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.149 -0.585 19013 739 1 2 . 1 1 35 35 GLU N N 35 118.228 118.228 120.513 -2.285 19013 740 1 2 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.336 -0.170 19013 741 1 2 . 1 1 35 35 GLU C C 35 175.939 175.939 175.543 0.396 19013 742 1 2 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.312 1.073 19013 743 1 2 . 1 1 35 35 GLU CB C 35 30.115 30.115 29.917 0.198 19013 744 1 2 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.053 0.511 19013 745 1 2 . 1 1 36 36 ILE C C 36 176.530 176.530 175.216 1.314 19013 746 1 2 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.311 -1.464 19013 747 1 2 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.706 2.888 19013 748 1 2 . 1 1 37 37 LEU N N 37 125.464 125.464 112.555 12.909 19013 749 1 2 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.512 -0.423 19013 750 1 2 . 1 1 37 37 LEU C C 37 178.470 178.470 175.702 2.768 19013 751 1 2 . 1 1 37 37 LEU CA C 37 57.114 57.114 52.350 4.764 19013 752 1 2 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.080 -0.903 19013 753 1 2 . 1 1 38 38 GLU N N 38 120.405 120.405 119.190 1.215 19013 754 1 2 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.324 -0.145 19013 755 1 2 . 1 1 38 38 GLU C C 38 175.620 175.620 177.230 -1.610 19013 756 1 2 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.110 2.520 19013 757 1 2 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.610 -1.059 19013 758 1 2 . 1 1 39 39 ASP N N 39 117.746 117.746 117.774 -0.028 19013 759 1 2 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.227 0.275 19013 760 1 2 . 1 1 39 39 ASP C C 39 176.811 176.811 175.509 1.302 19013 761 1 2 . 1 1 39 39 ASP CA C 39 53.870 53.870 56.032 -2.162 19013 762 1 2 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.413 -0.032 19013 763 1 2 . 1 1 40 40 LEU N N 40 127.180 127.180 121.328 5.852 19013 764 1 2 . 1 1 40 40 LEU HA H 40 4.310 4.310 3.966 0.344 19013 765 1 2 . 1 1 40 40 LEU C C 40 177.950 177.950 176.035 1.915 19013 766 1 2 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.684 -0.581 19013 767 1 2 . 1 1 40 40 LEU CB C 40 41.706 41.706 39.952 1.754 19013 768 1 2 . 1 1 41 41 GLU N N 41 120.599 120.599 122.199 -1.600 19013 769 1 2 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.392 -0.462 19013 770 1 2 . 1 1 41 41 GLU C C 41 178.353 178.353 177.787 0.566 19013 771 1 2 . 1 1 41 41 GLU CA C 41 59.238 59.238 56.639 2.599 19013 772 1 2 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.827 -1.436 19013 773 1 2 . 1 1 42 42 SER N N 42 114.356 114.356 116.307 -1.951 19013 774 1 2 . 1 1 42 42 SER HA H 42 4.209 4.209 4.248 -0.039 19013 775 1 2 . 1 1 42 42 SER C C 42 175.221 175.221 174.497 0.724 19013 776 1 2 . 1 1 42 42 SER CA C 42 60.331 60.331 59.053 1.278 19013 777 1 2 . 1 1 42 42 SER CB C 42 62.849 62.849 63.566 -0.718 19013 778 1 2 . 1 1 43 43 GLU N N 43 119.711 119.711 119.560 0.151 19013 779 1 2 . 1 1 43 43 GLU HA H 43 4.286 4.286 3.977 0.309 19013 780 1 2 . 1 1 43 43 GLU C C 43 176.893 176.893 175.317 1.576 19013 781 1 2 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.464 1.129 19013 782 1 2 . 1 1 43 43 GLU CB C 43 30.441 30.441 28.394 2.047 19013 783 1 2 . 1 1 44 44 LEU N N 44 117.788 117.788 119.720 -1.932 19013 784 1 2 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.057 0.297 19013 785 1 2 . 1 1 44 44 LEU C C 44 177.944 177.944 177.074 0.870 19013 786 1 2 . 1 1 44 44 LEU CA C 44 54.941 54.941 56.130 -1.188 19013 787 1 2 . 1 1 44 44 LEU CB C 44 42.375 42.375 41.952 0.423 19013 788 1 2 . 1 1 45 45 GLY N N 45 108.349 108.349 106.549 1.800 19013 789 1 2 . 1 1 45 45 GLY C C 45 173.791 173.791 174.831 -1.040 19013 790 1 2 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.889 0.748 19013 791 1 2 . 1 1 46 46 ASP N N 46 119.869 119.869 123.268 -3.399 19013 792 1 2 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.256 0.433 19013 793 1 2 . 1 1 46 46 ASP C C 46 176.628 176.628 176.505 0.123 19013 794 1 2 . 1 1 46 46 ASP CA C 46 54.021 54.021 56.575 -2.554 19013 795 1 2 . 1 1 46 46 ASP CB C 46 41.096 41.096 39.957 1.139 19013 796 1 2 . 1 1 47 47 THR N N 47 113.962 113.962 117.165 -3.203 19013 797 1 2 . 1 1 47 47 THR HA H 47 4.258 4.258 4.272 -0.014 19013 798 1 2 . 1 1 47 47 THR C C 47 175.277 175.277 173.710 1.567 19013 799 1 2 . 1 1 47 47 THR CA C 47 62.715 62.715 63.039 -0.324 19013 800 1 2 . 1 1 47 47 THR CB C 47 69.504 69.504 68.102 1.402 19013 801 1 2 . 1 1 48 48 GLU N N 48 121.748 121.748 122.162 -0.414 19013 802 1 2 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.502 -0.267 19013 803 1 2 . 1 1 48 48 GLU C C 48 177.221 177.221 176.907 0.314 19013 804 1 2 . 1 1 48 48 GLU CA C 48 57.505 57.505 56.533 0.972 19013 805 1 2 . 1 1 48 48 GLU CB C 48 29.718 29.718 31.104 -1.386 19013 806 1 2 . 1 1 49 49 THR N N 49 113.781 113.781 113.134 0.647 19013 807 1 2 . 1 1 49 49 THR HA H 49 4.160 4.160 4.365 -0.205 19013 808 1 2 . 1 1 49 49 THR C C 49 174.979 174.979 174.819 0.160 19013 809 1 2 . 1 1 49 49 THR CA C 49 62.989 62.989 62.725 0.264 19013 810 1 2 . 1 1 49 49 THR CB C 49 69.198 69.198 69.297 -0.099 19013 811 1 2 . 1 1 50 50 MET N N 50 121.133 121.133 122.520 -1.387 19013 812 1 2 . 1 1 50 50 MET HA H 50 4.295 4.295 4.256 0.039 19013 813 1 2 . 1 1 50 50 MET C C 50 175.846 175.846 174.429 1.417 19013 814 1 2 . 1 1 50 50 MET CA C 50 55.981 55.981 56.208 -0.227 19013 815 1 2 . 1 1 50 50 MET CB C 50 32.549 32.549 32.067 0.482 19013 816 1 2 . 1 1 51 51 ARG N N 51 120.641 120.641 117.864 2.777 19013 817 1 2 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.808 -0.470 19013 818 1 2 . 1 1 51 51 ARG C C 51 176.213 176.213 174.290 1.923 19013 819 1 2 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.931 -0.052 19013 820 1 2 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.990 -1.384 19013 821 1 2 . 1 1 52 52 THR N N 52 116.663 116.663 109.398 7.265 19013 822 1 2 . 1 1 52 52 THR HA H 52 4.564 4.564 5.068 -0.504 19013 823 1 2 . 1 1 52 52 THR C C 52 172.814 172.814 173.013 -0.199 19013 824 1 2 . 1 1 52 52 THR CA C 52 59.828 59.828 59.302 0.526 19013 825 1 2 . 1 1 52 52 THR CB C 52 69.498 69.498 70.698 -1.200 19013 826 1 2 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.501 -0.161 19013 827 1 2 . 1 1 53 53 PRO C C 53 177.518 177.518 175.765 1.753 19013 828 1 2 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.437 0.553 19013 829 1 2 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.936 -0.019 19013 830 1 2 . 1 1 54 54 GLY N N 54 108.804 108.804 108.935 -0.131 19013 831 1 2 . 1 1 54 54 GLY C C 54 174.121 174.121 172.918 1.203 19013 832 1 2 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.846 0.523 19013 833 1 2 . 1 1 55 55 TYR N N 55 119.872 119.872 123.128 -3.256 19013 834 1 2 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.445 -0.085 19013 835 1 2 . 1 1 55 55 TYR C C 55 175.550 175.550 175.324 0.226 19013 836 1 2 . 1 1 55 55 TYR CA C 55 58.508 58.508 58.204 0.304 19013 837 1 2 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.068 -0.161 19013 838 1 2 . 1 1 56 56 PHE N N 56 121.248 121.248 124.340 -3.092 19013 839 1 2 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.466 -0.037 19013 840 1 2 . 1 1 56 56 PHE C C 56 175.354 175.354 176.385 -1.031 19013 841 1 2 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.445 0.693 19013 842 1 2 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.352 0.161 19013 843 1 2 . 1 1 57 57 PHE N N 57 121.226 121.226 119.081 2.145 19013 844 1 2 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.617 -0.144 19013 845 1 2 . 1 1 57 57 PHE C C 57 175.182 175.182 175.398 -0.216 19013 846 1 2 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.334 -0.508 19013 847 1 2 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.620 -0.091 19013 848 1 2 . 1 1 58 58 GLN N N 58 121.160 121.160 115.622 5.538 19013 849 1 2 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.609 0.623 19013 850 1 2 . 1 1 58 58 GLN C C 58 175.287 175.287 174.893 0.394 19013 851 1 2 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.501 -0.095 19013 852 1 2 . 1 1 58 58 GLN CB C 58 29.477 29.477 28.607 0.870 19013 853 1 2 . 1 1 59 59 GLN N N 59 120.923 120.923 122.181 -1.258 19013 854 1 2 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.360 -0.074 19013 855 1 2 . 1 1 59 59 GLN C C 59 175.318 175.318 175.460 -0.142 19013 856 1 2 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.800 -0.503 19013 857 1 2 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.125 1.294 19013 858 1 2 . 1 1 60 60 ALA N N 60 126.737 126.737 128.305 -1.568 19013 859 1 2 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.675 -0.139 19013 860 1 2 . 1 1 60 60 ALA C C 60 175.924 175.924 175.074 0.850 19013 861 1 2 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.692 0.990 19013 862 1 2 . 1 1 60 60 ALA CB C 60 18.173 18.173 19.122 -0.949 19013 863 1 2 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.495 -0.091 19013 864 1 2 . 1 1 61 61 PRO C C 61 176.902 176.902 176.329 0.573 19013 865 1 2 . 1 1 61 61 PRO CA C 61 63.549 63.549 62.917 0.632 19013 866 1 2 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.187 -0.205 19013 867 1 2 . 1 1 62 62 ASN N N 62 116.490 116.490 119.680 -3.190 19013 868 1 2 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.442 0.158 19013 869 1 2 . 1 1 62 62 ASN C C 62 174.942 174.942 173.890 1.052 19013 870 1 2 . 1 1 62 62 ASN CA C 62 53.299 53.299 54.046 -0.747 19013 871 1 2 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.401 -0.380 19013 872 1 2 . 1 1 63 63 ARG N N 63 120.117 120.117 123.329 -3.212 19013 873 1 2 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.660 -0.299 19013 874 1 2 . 1 1 63 63 ARG C C 63 175.853 175.853 176.136 -0.283 19013 875 1 2 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.886 0.669 19013 876 1 2 . 1 1 63 63 ARG CB C 63 31.085 31.085 31.947 -0.862 19013 877 1 2 . 1 1 64 64 ARG N N 64 123.061 123.061 120.143 2.918 19013 878 1 2 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.270 0.030 19013 879 1 2 . 1 1 64 64 ARG C C 64 175.995 175.995 176.655 -0.660 19013 880 1 2 . 1 1 64 64 ARG CA C 64 56.003 56.003 57.785 -1.782 19013 881 1 2 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.459 0.021 19013 882 1 2 . 1 1 65 65 ARG N N 65 123.698 123.698 116.203 7.495 19013 883 1 2 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.690 -0.114 19013 884 1 2 . 1 1 65 65 ARG C C 65 176.085 176.085 174.203 1.882 19013 885 1 2 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.765 0.683 19013 886 1 2 . 1 1 65 65 ARG CB C 65 31.155 31.155 32.182 -1.027 19013 887 1 2 . 1 1 66 66 ILE N N 66 120.928 120.928 119.764 1.164 19013 888 1 2 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.955 0.480 19013 889 1 2 . 1 1 66 66 ILE C C 66 175.488 175.488 176.040 -0.552 19013 890 1 2 . 1 1 66 66 ILE CA C 66 60.214 60.214 62.709 -2.495 19013 891 1 2 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.904 1.250 19013 892 1 2 . 1 1 67 67 SER N N 67 119.534 119.534 120.615 -1.081 19013 893 1 2 . 1 1 67 67 SER HA H 67 4.431 4.431 4.380 0.051 19013 894 1 2 . 1 1 67 67 SER C C 67 174.034 174.034 173.747 0.287 19013 895 1 2 . 1 1 67 67 SER CA C 67 58.599 58.599 59.510 -0.911 19013 896 1 2 . 1 1 67 67 SER CB C 67 63.499 63.499 63.239 0.261 19013 897 1 2 . 1 1 68 68 ARG N N 68 124.936 124.936 119.745 5.191 19013 898 1 2 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.473 0.102 19013 899 1 2 . 1 1 68 68 ARG C C 68 175.967 175.967 174.041 1.926 19013 900 1 2 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.725 0.729 19013 901 1 2 . 1 1 68 68 ARG CB C 68 32.473 32.473 33.266 -0.793 19013 902 1 2 . 1 1 69 69 GLU N N 69 136.462 136.462 123.395 13.067 19013 903 1 2 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.307 0.198 19013 904 1 2 . 1 1 69 69 GLU C C 69 174.852 174.852 174.608 0.244 19013 905 1 2 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.906 -0.711 19013 906 1 2 . 1 1 69 69 GLU CB C 69 29.801 29.801 28.808 0.993 19013 907 1 2 . 1 1 70 70 HIS N N 70 120.728 120.728 125.966 -5.238 19013 908 1 2 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.656 -0.920 19013 909 1 2 . 1 1 70 70 HIS C C 70 171.455 171.455 173.319 -1.864 19013 910 1 2 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.114 0.460 19013 911 1 2 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.854 -1.738 19013 912 1 2 . 1 1 71 71 GLY N N 71 108.698 108.698 111.496 -2.798 19013 913 1 2 . 1 1 71 71 GLY C C 71 174.611 174.611 172.726 1.885 19013 914 1 2 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.671 -0.607 19013 915 1 2 . 1 1 72 72 ARG N N 72 123.350 123.350 117.943 5.407 19013 916 1 2 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.129 0.066 19013 917 1 2 . 1 1 72 72 ARG C C 72 178.495 178.495 177.899 0.596 19013 918 1 2 . 1 1 72 72 ARG CA C 72 60.196 60.196 59.164 1.032 19013 919 1 2 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.773 0.049 19013 920 1 2 . 1 1 73 73 THR N N 73 103.467 103.467 109.520 -6.053 19013 921 1 2 . 1 1 73 73 THR HA H 73 4.196 4.196 4.669 -0.473 19013 922 1 2 . 1 1 73 73 THR C C 73 171.300 171.300 172.997 -1.697 19013 923 1 2 . 1 1 73 73 THR CA C 73 59.336 59.336 62.745 -3.409 19013 924 1 2 . 1 1 73 73 THR CB C 73 69.837 69.837 69.761 0.076 19013 925 1 2 . 1 1 74 74 TRP N N 74 112.582 112.582 120.527 -7.945 19013 926 1 2 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.519 0.188 19013 927 1 2 . 1 1 74 74 TRP C C 74 176.667 176.667 174.289 2.378 19013 928 1 2 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.570 0.312 19013 929 1 2 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.717 1.143 19013 930 1 2 . 1 1 75 75 THR N N 75 114.629 114.629 120.101 -5.472 19013 931 1 2 . 1 1 75 75 THR HA H 75 4.594 4.594 4.713 -0.119 19013 932 1 2 . 1 1 75 75 THR C C 75 170.237 170.237 173.105 -2.868 19013 933 1 2 . 1 1 75 75 THR CA C 75 61.354 61.354 61.867 -0.513 19013 934 1 2 . 1 1 75 75 THR CB C 75 69.887 69.887 72.220 -2.333 19013 935 1 2 . 1 1 76 76 LYS N N 76 130.596 130.596 128.571 2.025 19013 936 1 2 . 1 1 76 76 LYS HA H 76 5.722 5.722 4.985 0.737 19013 937 1 2 . 1 1 76 76 LYS C C 76 177.934 177.934 175.773 2.161 19013 938 1 2 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.868 0.172 19013 939 1 2 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.798 1.372 19013 940 1 2 . 1 1 77 77 LEU N N 77 128.006 128.006 129.985 -1.979 19013 941 1 2 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.562 -0.275 19013 942 1 2 . 1 1 77 77 LEU C C 77 174.557 174.557 175.328 -0.771 19013 943 1 2 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.855 1.443 19013 944 1 2 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.638 2.462 19013 945 1 2 . 1 1 78 78 THR N N 78 123.666 123.666 121.060 2.606 19013 946 1 2 . 1 1 78 78 THR HA H 78 4.435 4.435 4.628 -0.193 19013 947 1 2 . 1 1 78 78 THR C C 78 174.067 174.067 173.594 0.473 19013 948 1 2 . 1 1 78 78 THR CA C 78 62.500 62.500 62.040 0.460 19013 949 1 2 . 1 1 78 78 THR CB C 78 67.902 67.902 69.486 -1.584 19013 950 1 2 . 1 1 79 79 TYR N N 79 125.290 125.290 124.899 0.391 19013 951 1 2 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.631 0.321 19013 952 1 2 . 1 1 79 79 TYR C C 79 176.523 176.523 177.049 -0.526 19013 953 1 2 . 1 1 79 79 TYR CA C 79 59.379 59.379 57.874 1.505 19013 954 1 2 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.152 0.667 19013 955 1 2 . 1 1 80 80 ALA N N 80 121.971 121.971 122.283 -0.312 19013 956 1 2 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.877 0.183 19013 957 1 2 . 1 1 80 80 ALA C C 80 177.255 177.255 177.006 0.249 19013 958 1 2 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.849 0.081 19013 959 1 2 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.019 2.167 19013 960 1 2 . 1 1 81 81 ASN N N 81 112.786 112.786 118.249 -5.463 19013 961 1 2 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.856 0.241 19013 962 1 2 . 1 1 81 81 ASN C C 81 175.438 175.438 175.327 0.111 19013 963 1 2 . 1 1 81 81 ASN CA C 81 51.488 51.488 53.005 -1.517 19013 964 1 2 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.567 1.863 19013 965 1 2 . 1 1 82 82 HIS N N 82 123.560 123.560 123.015 0.545 19013 966 1 2 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.533 -0.246 19013 967 1 2 . 1 1 82 82 HIS C C 82 176.494 176.494 176.545 -0.051 19013 968 1 2 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.038 0.053 19013 969 1 2 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.405 -1.842 19013 970 1 2 . 1 1 83 83 SER N N 83 114.623 114.623 115.077 -0.454 19013 971 1 2 . 1 1 83 83 SER HA H 83 4.095 4.095 4.288 -0.193 19013 972 1 2 . 1 1 83 83 SER C C 83 177.619 177.619 176.423 1.196 19013 973 1 2 . 1 1 83 83 SER CA C 83 61.637 61.637 61.318 0.319 19013 974 1 2 . 1 1 83 83 SER CB C 83 61.644 61.644 62.631 -0.987 19013 975 1 2 . 1 1 84 84 SER N N 84 120.863 120.863 115.058 5.805 19013 976 1 2 . 1 1 84 84 SER HA H 84 3.935 3.935 4.434 -0.499 19013 977 1 2 . 1 1 84 84 SER C C 84 173.466 173.466 175.580 -2.114 19013 978 1 2 . 1 1 84 84 SER CA C 84 62.250 62.250 60.033 2.217 19013 979 1 2 . 1 1 84 84 SER CB C 84 62.700 62.700 62.533 0.167 19013 980 1 2 . 1 1 85 85 TYR N N 85 122.263 122.263 124.268 -2.005 19013 981 1 2 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.172 -0.403 19013 982 1 2 . 1 1 85 85 TYR C C 85 175.010 175.010 176.799 -1.789 19013 983 1 2 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.838 -1.165 19013 984 1 2 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.343 -0.718 19013 985 1 2 . 1 1 86 86 LEU N N 86 117.366 117.366 117.159 0.207 19013 986 1 2 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.778 -0.241 19013 987 1 2 . 1 1 86 86 LEU C C 86 179.942 179.942 178.203 1.739 19013 988 1 2 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.176 0.093 19013 989 1 2 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.763 0.931 19013 990 1 2 . 1 1 87 87 ARG N N 87 118.578 118.578 116.350 2.228 19013 991 1 2 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.088 -0.240 19013 992 1 2 . 1 1 87 87 ARG C C 87 178.784 178.784 178.937 -0.153 19013 993 1 2 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.657 -1.216 19013 994 1 2 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.412 -1.471 19013 995 1 2 . 1 1 88 88 ALA N N 88 123.868 123.868 121.652 2.216 19013 996 1 2 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.085 -0.542 19013 997 1 2 . 1 1 88 88 ALA C C 88 179.517 179.517 178.652 0.865 19013 998 1 2 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.820 1.594 19013 999 1 2 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.456 -0.314 19013 1000 1 2 . 1 1 89 89 LEU N N 89 114.573 114.573 119.402 -4.829 19013 1001 1 2 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.240 -0.316 19013 1002 1 2 . 1 1 89 89 LEU C C 89 180.088 180.088 175.905 4.183 19013 1003 1 2 . 1 1 89 89 LEU CA C 89 57.417 57.417 53.810 3.607 19013 1004 1 2 . 1 1 89 89 LEU CB C 89 41.886 41.886 42.102 -0.215 19013 1005 1 2 . 1 1 90 90 ARG N N 90 116.735 116.735 120.550 -3.815 19013 1006 1 2 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.164 -0.032 19013 1007 1 2 . 1 1 90 90 ARG C C 90 177.429 177.429 175.904 1.525 19013 1008 1 2 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.974 0.825 19013 1009 1 2 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.337 -0.503 19013 1010 1 2 . 1 1 91 91 GLU N N 91 115.787 115.787 119.391 -3.604 19013 1011 1 2 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.343 -0.196 19013 1012 1 2 . 1 1 91 91 GLU C C 91 176.303 176.303 175.772 0.531 19013 1013 1 2 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.393 -0.057 19013 1014 1 2 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.418 -0.713 19013 1015 1 2 . 1 1 92 92 HIS N N 92 118.997 118.997 121.195 -2.198 19013 1016 1 2 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.519 -0.248 19013 1017 1 2 . 1 1 92 92 HIS C C 92 176.823 176.823 176.133 0.690 19013 1018 1 2 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.718 2.735 19013 1019 1 2 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.172 1.640 19013 1020 1 2 . 1 1 93 93 GLY N N 93 116.944 116.944 118.108 -1.164 19013 1021 1 2 . 1 1 93 93 GLY C C 93 174.512 174.512 174.290 0.222 19013 1022 1 2 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.395 -0.419 19013 1023 1 2 . 1 1 94 94 THR N N 94 117.838 117.838 117.908 -0.070 19013 1024 1 2 . 1 1 94 94 THR HA H 94 4.059 4.059 4.454 -0.395 19013 1025 1 2 . 1 1 94 94 THR C C 94 172.656 172.656 172.964 -0.308 19013 1026 1 2 . 1 1 94 94 THR CA C 94 63.330 63.330 62.966 0.364 19013 1027 1 2 . 1 1 94 94 THR CB C 94 69.936 69.936 68.246 1.690 19013 1028 1 2 . 1 1 95 95 ILE N N 95 124.155 124.155 127.619 -3.464 19013 1029 1 2 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.491 -0.103 19013 1030 1 2 . 1 1 95 95 ILE C C 95 175.534 175.534 174.686 0.848 19013 1031 1 2 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.562 -0.785 19013 1032 1 2 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.988 -3.998 19013 1033 1 2 . 1 1 96 96 TYR N N 96 130.370 130.370 127.859 2.511 19013 1034 1 2 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.807 -0.244 19013 1035 1 2 . 1 1 96 96 TYR C C 96 174.539 174.539 175.611 -1.072 19013 1036 1 2 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.180 -0.724 19013 1037 1 2 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.163 -0.436 19013 1038 1 2 . 1 1 97 97 CYS N N 97 123.936 123.936 125.157 -1.221 19013 1039 1 2 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.958 -0.300 19013 1040 1 2 . 1 1 97 97 CYS C C 97 175.798 175.798 175.325 0.473 19013 1041 1 2 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.995 0.827 19013 1042 1 2 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.338 -1.859 19013 1043 1 2 . 1 1 98 98 GLY N N 98 103.268 103.268 104.938 -1.670 19013 1044 1 2 . 1 1 98 98 GLY C C 98 173.270 173.270 173.312 -0.042 19013 1045 1 2 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.477 0.835 19013 1046 1 2 . 1 1 99 99 ALA N N 99 123.511 123.511 123.002 0.509 19013 1047 1 2 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.639 0.056 19013 1048 1 2 . 1 1 99 99 ALA C C 99 175.215 175.215 175.193 0.022 19013 1049 1 2 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.950 -0.172 19013 1050 1 2 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.472 0.283 19013 1051 1 2 . 1 1 100 100 ALA N N 100 124.957 124.957 124.232 0.725 19013 1052 1 2 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.270 -0.637 19013 1053 1 2 . 1 1 100 100 ALA C C 100 177.477 177.477 177.967 -0.490 19013 1054 1 2 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.935 0.588 19013 1055 1 2 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.542 -1.373 19013 1056 1 2 . 1 1 101 101 ILE N N 101 121.598 121.598 120.628 0.970 19013 1057 1 2 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.577 -0.122 19013 1058 1 2 . 1 1 101 101 ILE C C 101 175.956 175.956 175.203 0.753 19013 1059 1 2 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.221 -0.257 19013 1060 1 2 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.304 1.531 19013 1061 1 2 . 1 1 102 102 GLY N N 102 113.717 113.717 112.030 1.687 19013 1062 1 2 . 1 1 102 102 GLY C C 102 172.857 172.857 171.755 1.102 19013 1063 1 2 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.162 -0.718 19013 1064 1 2 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.708 -0.174 19013 1065 1 2 . 1 1 103 103 CYS C C 103 172.624 172.624 173.472 -0.848 19013 1066 1 2 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.225 2.478 19013 1067 1 2 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.783 -2.440 19013 1068 1 2 . 1 1 104 104 VAL N N 104 118.519 118.519 123.717 -5.198 19013 1069 1 2 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.784 0.121 19013 1070 1 2 . 1 1 104 104 VAL C C 104 172.705 172.705 173.262 -0.557 19013 1071 1 2 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.241 -0.828 19013 1072 1 2 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.876 -0.773 19013 1073 1 2 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.757 -0.142 19013 1074 1 2 . 1 1 105 105 PRO C C 105 176.557 176.557 176.109 0.448 19013 1075 1 2 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.890 0.664 19013 1076 1 2 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.410 0.256 19013 1077 1 2 . 1 1 106 106 TYR N N 106 121.923 121.923 124.194 -2.271 19013 1078 1 2 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.277 -0.447 19013 1079 1 2 . 1 1 106 106 TYR C C 106 174.643 174.643 174.898 -0.255 19013 1080 1 2 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.918 1.100 19013 1081 1 2 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.205 1.182 19013 1082 1 2 . 1 1 107 107 LYS N N 107 124.087 124.087 127.546 -3.459 19013 1083 1 2 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.523 -0.342 19013 1084 1 2 . 1 1 107 107 LYS C C 107 176.443 176.443 176.139 0.304 19013 1085 1 2 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.331 0.446 19013 1086 1 2 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.958 0.967 19013 1087 1 2 . 1 1 108 108 HIS N N 108 124.171 124.171 124.013 0.158 19013 1088 1 2 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.982 -0.022 19013 1089 1 2 . 1 1 108 108 HIS C C 108 176.998 176.998 177.066 -0.068 19013 1090 1 2 . 1 1 108 108 HIS CA C 108 59.599 59.599 59.404 0.195 19013 1091 1 2 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.285 -0.737 19013 1092 1 2 . 1 1 109 109 GLU N N 109 118.941 118.941 120.358 -1.417 19013 1093 1 2 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.093 -0.180 19013 1094 1 2 . 1 1 109 109 GLU C C 109 177.738 177.738 178.874 -1.136 19013 1095 1 2 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.984 0.353 19013 1096 1 2 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.140 -0.421 19013 1097 1 2 . 1 1 110 110 LEU N N 110 118.555 118.555 120.951 -2.396 19013 1098 1 2 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.878 0.123 19013 1099 1 2 . 1 1 110 110 LEU C C 110 177.872 177.872 178.379 -0.507 19013 1100 1 2 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.474 -1.101 19013 1101 1 2 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.423 0.532 19013 1102 1 2 . 1 1 111 111 ILE N N 111 117.129 117.129 118.730 -1.601 19013 1103 1 2 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.299 -0.329 19013 1104 1 2 . 1 1 111 111 ILE C C 111 178.773 178.773 178.230 0.543 19013 1105 1 2 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.894 -1.156 19013 1106 1 2 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.696 -0.278 19013 1107 1 2 . 1 1 112 112 SER N N 112 116.165 116.165 115.731 0.434 19013 1108 1 2 . 1 1 112 112 SER HA H 112 4.000 4.000 4.023 -0.023 19013 1109 1 2 . 1 1 112 112 SER C C 112 176.313 176.313 176.448 -0.135 19013 1110 1 2 . 1 1 112 112 SER CA C 112 61.433 61.433 62.304 -0.871 19013 1111 1 2 . 1 1 112 112 SER CB C 112 62.188 62.188 63.062 -0.874 19013 1112 1 2 . 1 1 113 113 GLU N N 113 120.732 120.732 120.985 -0.253 19013 1113 1 2 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.030 -0.044 19013 1114 1 2 . 1 1 113 113 GLU C C 113 178.799 178.799 179.618 -0.819 19013 1115 1 2 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.399 0.122 19013 1116 1 2 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.395 -0.013 19013 1117 1 2 . 1 1 114 114 LEU N N 114 119.452 119.452 119.737 -0.285 19013 1118 1 2 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.541 0.182 19013 1119 1 2 . 1 1 114 114 LEU C C 114 179.184 179.184 178.374 0.810 19013 1120 1 2 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.029 -0.345 19013 1121 1 2 . 1 1 114 114 LEU CB C 114 39.987 39.987 40.934 -0.948 19013 1122 1 2 . 1 1 115 115 SER N N 115 112.708 112.708 112.053 0.655 19013 1123 1 2 . 1 1 115 115 SER HA H 115 4.615 4.615 4.437 0.178 19013 1124 1 2 . 1 1 115 115 SER C C 115 174.994 174.994 176.417 -1.423 19013 1125 1 2 . 1 1 115 115 SER CA C 115 59.706 59.706 60.301 -0.595 19013 1126 1 2 . 1 1 115 115 SER CB C 115 63.512 63.512 62.646 0.866 19013 1127 1 2 . 1 1 116 116 ARG N N 116 121.600 121.600 121.817 -0.217 19013 1128 1 2 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.015 0.226 19013 1129 1 2 . 1 1 116 116 ARG C C 116 176.893 176.893 177.672 -0.779 19013 1130 1 2 . 1 1 116 116 ARG CA C 116 57.022 57.022 58.656 -1.634 19013 1131 1 2 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.961 0.202 19013 1132 1 2 . 1 1 117 117 GLU N N 117 120.450 120.450 115.118 5.332 19013 1133 1 2 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.215 0.025 19013 1134 1 2 . 1 1 117 117 GLU C C 117 177.260 177.260 176.595 0.665 19013 1135 1 2 . 1 1 117 117 GLU CA C 117 57.042 57.042 55.609 1.433 19013 1136 1 2 . 1 1 117 117 GLU CB C 117 29.763 29.763 29.663 0.100 19013 1137 1 2 . 1 1 118 118 GLY N N 118 108.905 108.905 107.405 1.500 19013 1138 1 2 . 1 1 118 118 GLY C C 118 174.225 174.225 174.078 0.147 19013 1139 1 2 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.604 -0.221 19013 1140 1 2 . 1 1 119 119 HIS N N 119 117.625 117.625 115.873 1.752 19013 1141 1 2 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.738 -0.079 19013 1142 1 2 . 1 1 119 119 HIS C C 119 174.439 174.439 172.759 1.680 19013 1143 1 2 . 1 1 119 119 HIS CA C 119 55.413 55.413 54.542 0.871 19013 1144 1 2 . 1 1 119 119 HIS CB C 119 28.904 28.904 31.139 -2.235 19013 1145 1 2 . 1 1 120 120 HIS N N 120 119.015 119.015 118.376 0.639 19013 1146 1 2 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.671 0.001 19013 1147 1 2 . 1 1 120 120 HIS C C 120 174.259 174.259 176.340 -2.081 19013 1148 1 2 . 1 1 120 120 HIS CA C 120 55.321 55.321 56.185 -0.864 19013 1149 1 2 . 1 1 120 120 HIS CB C 120 29.098 29.098 32.654 -3.556 19013 1150 1 2 . 1 1 121 121 HIS N N 121 119.872 119.872 118.140 1.732 19013 1151 1 2 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.221 0.459 19013 1152 1 2 . 1 1 121 121 HIS C C 121 174.245 174.245 174.314 -0.069 19013 1153 1 2 . 1 1 121 121 HIS CA C 121 55.389 55.389 57.432 -2.043 19013 1154 1 2 . 1 1 121 121 HIS CB C 121 29.259 29.259 29.076 0.183 19013 1155 1 2 . 1 1 122 122 HIS N N 122 120.597 120.597 121.442 -0.845 19013 1156 1 2 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.416 0.271 19013 1157 1 2 . 1 1 122 122 HIS C C 122 174.101 174.101 174.541 -0.440 19013 1158 1 2 . 1 1 122 122 HIS CA C 122 55.386 55.386 57.213 -1.827 19013 1159 1 2 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.416 -1.067 19013 1160 1 2 . 1 1 123 123 HIS N N 123 120.680 120.680 123.631 -2.951 19013 1161 1 2 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.639 0.017 19013 1162 1 2 . 1 1 123 123 HIS C C 123 173.591 173.591 174.708 -1.117 19013 1163 1 2 . 1 1 123 123 HIS CA C 123 55.563 55.563 54.458 1.105 19013 1164 1 2 . 1 1 123 123 HIS CB C 123 29.456 29.456 31.997 -2.541 19013 1165 1 3 . 1 1 2 2 SER HA H 2 4.167 4.167 4.267 -0.100 19013 1166 1 3 . 1 1 2 2 SER C C 2 170.960 170.960 173.879 -2.919 19013 1167 1 3 . 1 1 2 2 SER CA C 2 57.139 57.139 58.753 -1.614 19013 1168 1 3 . 1 1 2 2 SER CB C 2 63.027 63.027 62.293 0.734 19013 1169 1 3 . 1 1 3 3 LEU N N 3 123.102 123.102 117.917 5.185 19013 1170 1 3 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.003 0.412 19013 1171 1 3 . 1 1 3 3 LEU C C 3 177.886 177.886 177.395 0.491 19013 1172 1 3 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.815 -0.190 19013 1173 1 3 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.332 1.002 19013 1174 1 3 . 1 1 4 4 GLY N N 4 110.546 110.546 107.062 3.484 19013 1175 1 3 . 1 1 4 4 GLY C C 4 174.473 174.473 175.267 -0.794 19013 1176 1 3 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.070 0.200 19013 1177 1 3 . 1 1 5 5 SER N N 5 115.839 115.839 116.275 -0.436 19013 1178 1 3 . 1 1 5 5 SER HA H 5 4.472 4.472 4.242 0.230 19013 1179 1 3 . 1 1 5 5 SER C C 5 175.085 175.085 175.019 0.066 19013 1180 1 3 . 1 1 5 5 SER CA C 5 58.419 58.419 59.230 -0.811 19013 1181 1 3 . 1 1 5 5 SER CB C 5 63.648 63.648 63.415 0.233 19013 1182 1 3 . 1 1 6 6 GLU N N 6 122.855 122.855 118.325 4.530 19013 1183 1 3 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.141 0.199 19013 1184 1 3 . 1 1 6 6 GLU C C 6 176.767 176.767 176.342 0.425 19013 1185 1 3 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.764 0.256 19013 1186 1 3 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.343 1.442 19013 1187 1 3 . 1 1 7 7 SER N N 7 116.046 116.046 115.821 0.225 19013 1188 1 3 . 1 1 7 7 SER HA H 7 4.444 4.444 4.200 0.244 19013 1189 1 3 . 1 1 7 7 SER C C 7 174.946 174.946 174.481 0.465 19013 1190 1 3 . 1 1 7 7 SER CA C 7 58.587 58.587 59.790 -1.203 19013 1191 1 3 . 1 1 7 7 SER CB C 7 63.645 63.645 63.688 -0.043 19013 1192 1 3 . 1 1 8 8 GLU N N 8 122.758 122.758 120.252 2.506 19013 1193 1 3 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.084 0.288 19013 1194 1 3 . 1 1 8 8 GLU C C 8 176.929 176.929 176.211 0.718 19013 1195 1 3 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.688 0.214 19013 1196 1 3 . 1 1 8 8 GLU CB C 8 29.837 29.837 28.596 1.241 19013 1197 1 3 . 1 1 9 9 THR N N 9 113.221 113.221 116.599 -3.378 19013 1198 1 3 . 1 1 9 9 THR HA H 9 4.295 4.295 4.228 0.067 19013 1199 1 3 . 1 1 9 9 THR C C 9 175.371 175.371 175.876 -0.505 19013 1200 1 3 . 1 1 9 9 THR CA C 9 62.279 62.279 62.361 -0.082 19013 1201 1 3 . 1 1 9 9 THR CB C 9 69.828 69.828 69.269 0.559 19013 1202 1 3 . 1 1 10 10 GLY N N 10 110.774 110.774 109.911 0.863 19013 1203 1 3 . 1 1 10 10 GLY C C 10 173.283 173.283 173.762 -0.479 19013 1204 1 3 . 1 1 10 10 GLY CA C 10 45.731 45.731 44.829 0.902 19013 1205 1 3 . 1 1 11 11 ASN N N 11 116.215 116.215 121.951 -5.736 19013 1206 1 3 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.580 -0.313 19013 1207 1 3 . 1 1 11 11 ASN C C 11 174.352 174.352 174.372 -0.020 19013 1208 1 3 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.523 -0.056 19013 1209 1 3 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.613 0.870 19013 1210 1 3 . 1 1 12 12 ALA N N 12 121.979 121.979 123.077 -1.098 19013 1211 1 3 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.170 0.815 19013 1212 1 3 . 1 1 12 12 ALA C C 12 177.325 177.325 176.664 0.661 19013 1213 1 3 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.394 -0.857 19013 1214 1 3 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.356 1.474 19013 1215 1 3 . 1 1 13 13 VAL N N 13 116.191 116.191 118.219 -2.028 19013 1216 1 3 . 1 1 13 13 VAL HA H 13 5.326 5.326 4.825 0.501 19013 1217 1 3 . 1 1 13 13 VAL C C 13 175.275 175.275 173.881 1.394 19013 1218 1 3 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.542 -0.780 19013 1219 1 3 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.513 -0.352 19013 1220 1 3 . 1 1 14 14 VAL N N 14 119.334 119.334 120.843 -1.509 19013 1221 1 3 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.790 0.448 19013 1222 1 3 . 1 1 14 14 VAL C C 14 174.716 174.716 174.876 -0.160 19013 1223 1 3 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.705 0.591 19013 1224 1 3 . 1 1 14 14 VAL CB C 14 34.380 34.380 33.412 0.968 19013 1225 1 3 . 1 1 15 15 VAL N N 15 127.812 127.812 127.081 0.731 19013 1226 1 3 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.734 0.574 19013 1227 1 3 . 1 1 15 15 VAL C C 15 176.256 176.256 175.040 1.216 19013 1228 1 3 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.578 -0.423 19013 1229 1 3 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.781 0.520 19013 1230 1 3 . 1 1 16 16 PHE N N 16 122.243 122.243 120.239 2.004 19013 1231 1 3 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.337 0.582 19013 1232 1 3 . 1 1 16 16 PHE C C 16 174.623 174.623 174.661 -0.038 19013 1233 1 3 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.243 0.892 19013 1234 1 3 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.912 0.181 19013 1235 1 3 . 1 1 17 17 GLY N N 17 106.894 106.894 107.789 -0.895 19013 1236 1 3 . 1 1 17 17 GLY C C 17 174.023 174.023 173.492 0.531 19013 1237 1 3 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.346 -0.386 19013 1238 1 3 . 1 1 18 18 TYR N N 18 115.205 115.205 118.080 -2.875 19013 1239 1 3 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.008 -0.142 19013 1240 1 3 . 1 1 18 18 TYR C C 18 173.847 173.847 173.135 0.712 19013 1241 1 3 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.897 -2.732 19013 1242 1 3 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.821 0.010 19013 1243 1 3 . 1 1 19 19 ARG N N 19 116.814 116.814 117.756 -0.942 19013 1244 1 3 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.717 -0.262 19013 1245 1 3 . 1 1 19 19 ARG C C 19 177.198 177.198 175.661 1.537 19013 1246 1 3 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.310 0.618 19013 1247 1 3 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.440 -2.719 19013 1248 1 3 . 1 1 20 20 GLU N N 20 125.261 125.261 122.034 3.227 19013 1249 1 3 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.219 -0.162 19013 1250 1 3 . 1 1 20 20 GLU C C 20 180.643 180.643 175.409 5.234 19013 1251 1 3 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.122 2.407 19013 1252 1 3 . 1 1 20 20 GLU CB C 20 29.863 29.863 27.796 2.067 19013 1253 1 3 . 1 1 21 21 ALA N N 21 119.760 119.760 127.543 -7.783 19013 1254 1 3 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.359 -0.005 19013 1255 1 3 . 1 1 21 21 ALA C C 21 179.291 179.291 177.749 1.542 19013 1256 1 3 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.817 1.863 19013 1257 1 3 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.077 -0.667 19013 1258 1 3 . 1 1 22 22 ILE N N 22 109.751 109.751 117.045 -7.294 19013 1259 1 3 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.518 0.657 19013 1260 1 3 . 1 1 22 22 ILE C C 22 175.636 175.636 177.126 -1.490 19013 1261 1 3 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.846 -0.615 19013 1262 1 3 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.291 1.154 19013 1263 1 3 . 1 1 23 23 THR N N 23 118.763 118.763 119.268 -0.505 19013 1264 1 3 . 1 1 23 23 THR HA H 23 3.375 3.375 3.792 -0.417 19013 1265 1 3 . 1 1 23 23 THR C C 23 175.159 175.159 176.529 -1.370 19013 1266 1 3 . 1 1 23 23 THR CA C 23 68.267 68.267 66.845 1.422 19013 1267 1 3 . 1 1 23 23 THR CB C 23 69.564 69.564 68.463 1.101 19013 1268 1 3 . 1 1 24 24 LYS N N 24 118.723 118.723 119.090 -0.367 19013 1269 1 3 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.014 -0.351 19013 1270 1 3 . 1 1 24 24 LYS C C 24 178.421 178.421 179.213 -0.792 19013 1271 1 3 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.075 1.979 19013 1272 1 3 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.660 0.121 19013 1273 1 3 . 1 1 25 25 GLN N N 25 118.276 118.276 118.812 -0.536 19013 1274 1 3 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.136 -0.093 19013 1275 1 3 . 1 1 25 25 GLN C C 25 179.248 179.248 178.725 0.523 19013 1276 1 3 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.984 0.696 19013 1277 1 3 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.401 -0.156 19013 1278 1 3 . 1 1 26 26 ILE N N 26 122.000 122.000 119.979 2.021 19013 1279 1 3 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.575 0.194 19013 1280 1 3 . 1 1 26 26 ILE C C 26 177.797 177.797 177.269 0.528 19013 1281 1 3 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.241 -1.063 19013 1282 1 3 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.043 -2.452 19013 1283 1 3 . 1 1 27 27 LEU N N 27 119.685 119.685 121.686 -2.001 19013 1284 1 3 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.937 -0.019 19013 1285 1 3 . 1 1 27 27 LEU C C 27 178.173 178.173 178.081 0.092 19013 1286 1 3 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.224 0.083 19013 1287 1 3 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.732 -0.645 19013 1288 1 3 . 1 1 28 28 ALA N N 28 118.927 118.927 120.519 -1.592 19013 1289 1 3 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.047 -0.185 19013 1290 1 3 . 1 1 28 28 ALA C C 28 179.693 179.693 178.497 1.196 19013 1291 1 3 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.748 0.154 19013 1292 1 3 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.221 -0.105 19013 1293 1 3 . 1 1 29 29 TYR N N 29 119.687 119.687 118.058 1.629 19013 1294 1 3 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.282 -0.360 19013 1295 1 3 . 1 1 29 29 TYR C C 29 178.234 178.234 177.000 1.234 19013 1296 1 3 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.150 -0.014 19013 1297 1 3 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.874 -1.498 19013 1298 1 3 . 1 1 30 30 PHE N N 30 115.353 115.353 117.059 -1.706 19013 1299 1 3 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.527 -0.598 19013 1300 1 3 . 1 1 30 30 PHE C C 30 180.031 180.031 176.859 3.172 19013 1301 1 3 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.388 2.427 19013 1302 1 3 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.275 -1.324 19013 1303 1 3 . 1 1 31 31 ALA N N 31 125.929 125.929 121.585 4.344 19013 1304 1 3 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.072 0.390 19013 1305 1 3 . 1 1 31 31 ALA C C 31 178.235 178.235 178.448 -0.213 19013 1306 1 3 . 1 1 31 31 ALA CA C 31 53.794 53.794 53.524 0.270 19013 1307 1 3 . 1 1 31 31 ALA CB C 31 17.482 17.482 17.878 -0.396 19013 1308 1 3 . 1 1 32 32 GLN N N 32 113.541 113.541 118.428 -4.887 19013 1309 1 3 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.856 0.100 19013 1310 1 3 . 1 1 32 32 GLN C C 32 177.465 177.465 177.775 -0.310 19013 1311 1 3 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.481 -1.522 19013 1312 1 3 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.580 0.505 19013 1313 1 3 . 1 1 33 33 PHE N N 33 114.638 114.638 115.076 -0.438 19013 1314 1 3 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.925 -0.275 19013 1315 1 3 . 1 1 33 33 PHE C C 33 175.848 175.848 176.147 -0.299 19013 1316 1 3 . 1 1 33 33 PHE CA C 33 57.066 57.066 58.411 -1.345 19013 1317 1 3 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.225 -3.295 19013 1318 1 3 . 1 1 34 34 GLY N N 34 106.452 106.452 107.917 -1.465 19013 1319 1 3 . 1 1 34 34 GLY C C 34 170.428 170.428 173.166 -2.738 19013 1320 1 3 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.775 -0.211 19013 1321 1 3 . 1 1 35 35 GLU N N 35 118.228 118.228 118.650 -0.422 19013 1322 1 3 . 1 1 35 35 GLU HA H 35 4.166 4.166 3.922 0.244 19013 1323 1 3 . 1 1 35 35 GLU C C 35 175.939 175.939 174.754 1.185 19013 1324 1 3 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.892 0.493 19013 1325 1 3 . 1 1 35 35 GLU CB C 35 30.115 30.115 29.869 0.246 19013 1326 1 3 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.120 0.444 19013 1327 1 3 . 1 1 36 36 ILE C C 36 176.530 176.530 173.602 2.928 19013 1328 1 3 . 1 1 36 36 ILE CA C 36 59.847 59.847 62.225 -2.378 19013 1329 1 3 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.839 1.755 19013 1330 1 3 . 1 1 37 37 LEU N N 37 125.464 125.464 116.348 9.116 19013 1331 1 3 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.450 -0.361 19013 1332 1 3 . 1 1 37 37 LEU C C 37 178.470 178.470 176.325 2.145 19013 1333 1 3 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.966 3.148 19013 1334 1 3 . 1 1 37 37 LEU CB C 37 42.176 42.176 44.992 -2.816 19013 1335 1 3 . 1 1 38 38 GLU N N 38 120.405 120.405 118.874 1.531 19013 1336 1 3 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.030 0.149 19013 1337 1 3 . 1 1 38 38 GLU C C 38 175.620 175.620 176.301 -0.681 19013 1338 1 3 . 1 1 38 38 GLU CA C 38 58.630 58.630 57.738 0.892 19013 1339 1 3 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.543 -0.992 19013 1340 1 3 . 1 1 39 39 ASP N N 39 117.746 117.746 120.022 -2.276 19013 1341 1 3 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.541 -0.039 19013 1342 1 3 . 1 1 39 39 ASP C C 39 176.811 176.811 175.127 1.684 19013 1343 1 3 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.139 -1.269 19013 1344 1 3 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.072 -0.691 19013 1345 1 3 . 1 1 40 40 LEU N N 40 127.180 127.180 128.130 -0.950 19013 1346 1 3 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.671 -0.361 19013 1347 1 3 . 1 1 40 40 LEU C C 40 177.950 177.950 174.663 3.287 19013 1348 1 3 . 1 1 40 40 LEU CA C 40 55.104 55.104 53.903 1.201 19013 1349 1 3 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.354 -1.648 19013 1350 1 3 . 1 1 41 41 GLU N N 41 120.599 120.599 123.292 -2.693 19013 1351 1 3 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.565 -0.635 19013 1352 1 3 . 1 1 41 41 GLU C C 41 178.353 178.353 175.080 3.273 19013 1353 1 3 . 1 1 41 41 GLU CA C 41 59.238 59.238 55.681 3.557 19013 1354 1 3 . 1 1 41 41 GLU CB C 41 29.391 29.391 31.766 -2.375 19013 1355 1 3 . 1 1 42 42 SER N N 42 114.356 114.356 116.472 -2.116 19013 1356 1 3 . 1 1 42 42 SER HA H 42 4.209 4.209 4.287 -0.078 19013 1357 1 3 . 1 1 42 42 SER C C 42 175.221 175.221 173.558 1.663 19013 1358 1 3 . 1 1 42 42 SER CA C 42 60.331 60.331 59.474 0.858 19013 1359 1 3 . 1 1 42 42 SER CB C 42 62.849 62.849 62.894 -0.045 19013 1360 1 3 . 1 1 43 43 GLU N N 43 119.711 119.711 121.364 -1.653 19013 1361 1 3 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.429 -0.143 19013 1362 1 3 . 1 1 43 43 GLU C C 43 176.893 176.893 175.795 1.098 19013 1363 1 3 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.708 0.885 19013 1364 1 3 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.160 0.281 19013 1365 1 3 . 1 1 44 44 LEU N N 44 117.788 117.788 122.074 -4.286 19013 1366 1 3 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.579 -0.225 19013 1367 1 3 . 1 1 44 44 LEU C C 44 177.944 177.944 177.387 0.557 19013 1368 1 3 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.358 0.583 19013 1369 1 3 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.374 -0.999 19013 1370 1 3 . 1 1 45 45 GLY N N 45 108.349 108.349 110.474 -2.125 19013 1371 1 3 . 1 1 45 45 GLY C C 45 173.791 173.791 174.337 -0.546 19013 1372 1 3 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.280 0.357 19013 1373 1 3 . 1 1 46 46 ASP N N 46 119.869 119.869 118.746 1.123 19013 1374 1 3 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.785 -0.096 19013 1375 1 3 . 1 1 46 46 ASP C C 46 176.628 176.628 176.159 0.469 19013 1376 1 3 . 1 1 46 46 ASP CA C 46 54.021 54.021 52.697 1.325 19013 1377 1 3 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.903 -0.807 19013 1378 1 3 . 1 1 47 47 THR N N 47 113.962 113.962 114.036 -0.074 19013 1379 1 3 . 1 1 47 47 THR HA H 47 4.258 4.258 3.993 0.265 19013 1380 1 3 . 1 1 47 47 THR C C 47 175.277 175.277 175.097 0.180 19013 1381 1 3 . 1 1 47 47 THR CA C 47 62.715 62.715 63.977 -1.262 19013 1382 1 3 . 1 1 47 47 THR CB C 47 69.504 69.504 68.268 1.236 19013 1383 1 3 . 1 1 48 48 GLU N N 48 121.748 121.748 120.220 1.528 19013 1384 1 3 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.159 0.076 19013 1385 1 3 . 1 1 48 48 GLU C C 48 177.221 177.221 178.377 -1.156 19013 1386 1 3 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.201 -1.696 19013 1387 1 3 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.338 0.380 19013 1388 1 3 . 1 1 49 49 THR N N 49 113.781 113.781 111.941 1.840 19013 1389 1 3 . 1 1 49 49 THR HA H 49 4.160 4.160 4.345 -0.185 19013 1390 1 3 . 1 1 49 49 THR C C 49 174.979 174.979 175.107 -0.128 19013 1391 1 3 . 1 1 49 49 THR CA C 49 62.989 62.989 63.110 -0.121 19013 1392 1 3 . 1 1 49 49 THR CB C 49 69.198 69.198 68.366 0.832 19013 1393 1 3 . 1 1 50 50 MET N N 50 121.133 121.133 117.833 3.300 19013 1394 1 3 . 1 1 50 50 MET HA H 50 4.295 4.295 4.610 -0.315 19013 1395 1 3 . 1 1 50 50 MET C C 50 175.846 175.846 175.846 0.000 19013 1396 1 3 . 1 1 50 50 MET CA C 50 55.981 55.981 53.644 2.337 19013 1397 1 3 . 1 1 50 50 MET CB C 50 32.549 32.549 32.603 -0.054 19013 1398 1 3 . 1 1 51 51 ARG N N 51 120.641 120.641 122.292 -1.651 19013 1399 1 3 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.444 -0.106 19013 1400 1 3 . 1 1 51 51 ARG C C 51 176.213 176.213 175.967 0.246 19013 1401 1 3 . 1 1 51 51 ARG CA C 51 55.879 55.879 56.613 -0.734 19013 1402 1 3 . 1 1 51 51 ARG CB C 51 30.606 30.606 29.046 1.560 19013 1403 1 3 . 1 1 52 52 THR N N 52 116.663 116.663 117.633 -0.970 19013 1404 1 3 . 1 1 52 52 THR HA H 52 4.564 4.564 4.089 0.475 19013 1405 1 3 . 1 1 52 52 THR C C 52 172.814 172.814 172.290 0.524 19013 1406 1 3 . 1 1 52 52 THR CA C 52 59.828 59.828 62.137 -2.309 19013 1407 1 3 . 1 1 52 52 THR CB C 52 69.498 69.498 68.265 1.233 19013 1408 1 3 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.023 0.317 19013 1409 1 3 . 1 1 53 53 PRO C C 53 177.518 177.518 177.212 0.306 19013 1410 1 3 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.531 0.459 19013 1411 1 3 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.285 0.632 19013 1412 1 3 . 1 1 54 54 GLY N N 54 108.804 108.804 112.693 -3.889 19013 1413 1 3 . 1 1 54 54 GLY C C 54 174.121 174.121 172.736 1.385 19013 1414 1 3 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.881 0.488 19013 1415 1 3 . 1 1 55 55 TYR N N 55 119.872 119.872 122.749 -2.877 19013 1416 1 3 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.723 -0.363 19013 1417 1 3 . 1 1 55 55 TYR C C 55 175.550 175.550 174.670 0.880 19013 1418 1 3 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.524 1.984 19013 1419 1 3 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.117 -0.210 19013 1420 1 3 . 1 1 56 56 PHE N N 56 121.248 121.248 122.812 -1.564 19013 1421 1 3 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.605 -0.176 19013 1422 1 3 . 1 1 56 56 PHE C C 56 175.354 175.354 177.185 -1.831 19013 1423 1 3 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.717 0.421 19013 1424 1 3 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.664 -0.151 19013 1425 1 3 . 1 1 57 57 PHE N N 57 121.226 121.226 121.514 -0.288 19013 1426 1 3 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.659 -0.186 19013 1427 1 3 . 1 1 57 57 PHE C C 57 175.182 175.182 174.971 0.211 19013 1428 1 3 . 1 1 57 57 PHE CA C 57 57.826 57.826 57.408 0.418 19013 1429 1 3 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.333 0.196 19013 1430 1 3 . 1 1 58 58 GLN N N 58 121.160 121.160 122.560 -1.400 19013 1431 1 3 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.476 -0.244 19013 1432 1 3 . 1 1 58 58 GLN C C 58 175.287 175.287 175.537 -0.250 19013 1433 1 3 . 1 1 58 58 GLN CA C 58 55.406 55.406 54.720 0.686 19013 1434 1 3 . 1 1 58 58 GLN CB C 58 29.477 29.477 30.543 -1.066 19013 1435 1 3 . 1 1 59 59 GLN N N 59 120.923 120.923 125.346 -4.423 19013 1436 1 3 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.415 -0.129 19013 1437 1 3 . 1 1 59 59 GLN C C 59 175.318 175.318 174.899 0.419 19013 1438 1 3 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.105 -0.808 19013 1439 1 3 . 1 1 59 59 GLN CB C 59 29.419 29.419 27.938 1.481 19013 1440 1 3 . 1 1 60 60 ALA N N 60 126.737 126.737 125.830 0.907 19013 1441 1 3 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.789 -0.253 19013 1442 1 3 . 1 1 60 60 ALA C C 60 175.924 175.924 175.683 0.241 19013 1443 1 3 . 1 1 60 60 ALA CA C 60 50.682 50.682 50.072 0.610 19013 1444 1 3 . 1 1 60 60 ALA CB C 60 18.173 18.173 20.851 -2.678 19013 1445 1 3 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.385 0.019 19013 1446 1 3 . 1 1 61 61 PRO C C 61 176.902 176.902 176.648 0.254 19013 1447 1 3 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.190 -0.641 19013 1448 1 3 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.155 -0.174 19013 1449 1 3 . 1 1 62 62 ASN N N 62 116.490 116.490 115.544 0.946 19013 1450 1 3 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.788 -0.188 19013 1451 1 3 . 1 1 62 62 ASN C C 62 174.942 174.942 175.165 -0.223 19013 1452 1 3 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.386 -0.087 19013 1453 1 3 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.503 -0.482 19013 1454 1 3 . 1 1 63 63 ARG N N 63 120.117 120.117 119.726 0.391 19013 1455 1 3 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.709 -0.348 19013 1456 1 3 . 1 1 63 63 ARG C C 63 175.853 175.853 174.753 1.100 19013 1457 1 3 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.513 1.042 19013 1458 1 3 . 1 1 63 63 ARG CB C 63 31.085 31.085 33.330 -2.245 19013 1459 1 3 . 1 1 64 64 ARG N N 64 123.061 123.061 120.060 3.001 19013 1460 1 3 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.671 -0.371 19013 1461 1 3 . 1 1 64 64 ARG C C 64 175.995 175.995 177.020 -1.025 19013 1462 1 3 . 1 1 64 64 ARG CA C 64 56.003 56.003 55.477 0.526 19013 1463 1 3 . 1 1 64 64 ARG CB C 64 30.480 30.480 31.484 -1.004 19013 1464 1 3 . 1 1 65 65 ARG N N 65 123.698 123.698 120.877 2.821 19013 1465 1 3 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.163 0.413 19013 1466 1 3 . 1 1 65 65 ARG C C 65 176.085 176.085 176.161 -0.076 19013 1467 1 3 . 1 1 65 65 ARG CA C 65 55.448 55.448 58.231 -2.783 19013 1468 1 3 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.531 0.624 19013 1469 1 3 . 1 1 66 66 ILE N N 66 120.928 120.928 117.462 3.466 19013 1470 1 3 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.175 0.260 19013 1471 1 3 . 1 1 66 66 ILE C C 66 175.488 175.488 174.960 0.528 19013 1472 1 3 . 1 1 66 66 ILE CA C 66 60.214 60.214 60.075 0.139 19013 1473 1 3 . 1 1 66 66 ILE CB C 66 40.154 40.154 40.257 -0.103 19013 1474 1 3 . 1 1 67 67 SER N N 67 119.534 119.534 122.590 -3.056 19013 1475 1 3 . 1 1 67 67 SER HA H 67 4.431 4.431 4.286 0.145 19013 1476 1 3 . 1 1 67 67 SER C C 67 174.034 174.034 175.145 -1.111 19013 1477 1 3 . 1 1 67 67 SER CA C 67 58.599 58.599 60.703 -2.104 19013 1478 1 3 . 1 1 67 67 SER CB C 67 63.499 63.499 63.625 -0.126 19013 1479 1 3 . 1 1 68 68 ARG N N 68 124.936 124.936 120.869 4.067 19013 1480 1 3 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.283 0.292 19013 1481 1 3 . 1 1 68 68 ARG C C 68 175.967 175.967 175.610 0.357 19013 1482 1 3 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.545 -0.091 19013 1483 1 3 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.531 0.942 19013 1484 1 3 . 1 1 69 69 GLU N N 69 136.462 136.462 122.408 14.054 19013 1485 1 3 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.330 0.175 19013 1486 1 3 . 1 1 69 69 GLU C C 69 174.852 174.852 175.248 -0.396 19013 1487 1 3 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.443 -0.249 19013 1488 1 3 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.389 -0.588 19013 1489 1 3 . 1 1 70 70 HIS N N 70 120.728 120.728 117.961 2.767 19013 1490 1 3 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.614 -0.878 19013 1491 1 3 . 1 1 70 70 HIS C C 70 171.455 171.455 173.078 -1.623 19013 1492 1 3 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.761 0.813 19013 1493 1 3 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.204 -1.088 19013 1494 1 3 . 1 1 71 71 GLY N N 71 108.698 108.698 108.490 0.208 19013 1495 1 3 . 1 1 71 71 GLY C C 71 174.611 174.611 173.731 0.880 19013 1496 1 3 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.657 -0.593 19013 1497 1 3 . 1 1 72 72 ARG N N 72 123.350 123.350 118.505 4.845 19013 1498 1 3 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.373 -0.178 19013 1499 1 3 . 1 1 72 72 ARG C C 72 178.495 178.495 176.570 1.925 19013 1500 1 3 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.590 2.606 19013 1501 1 3 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.217 -0.395 19013 1502 1 3 . 1 1 73 73 THR N N 73 103.467 103.467 110.822 -7.355 19013 1503 1 3 . 1 1 73 73 THR HA H 73 4.196 4.196 4.722 -0.526 19013 1504 1 3 . 1 1 73 73 THR C C 73 171.300 171.300 172.887 -1.587 19013 1505 1 3 . 1 1 73 73 THR CA C 73 59.336 59.336 62.422 -3.086 19013 1506 1 3 . 1 1 73 73 THR CB C 73 69.837 69.837 69.555 0.282 19013 1507 1 3 . 1 1 74 74 TRP N N 74 112.582 112.582 119.513 -6.931 19013 1508 1 3 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.604 0.103 19013 1509 1 3 . 1 1 74 74 TRP C C 74 176.667 176.667 174.016 2.651 19013 1510 1 3 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.707 0.175 19013 1511 1 3 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.359 0.501 19013 1512 1 3 . 1 1 75 75 THR N N 75 114.629 114.629 118.924 -4.295 19013 1513 1 3 . 1 1 75 75 THR HA H 75 4.594 4.594 4.728 -0.134 19013 1514 1 3 . 1 1 75 75 THR C C 75 170.237 170.237 173.379 -3.142 19013 1515 1 3 . 1 1 75 75 THR CA C 75 61.354 61.354 61.486 -0.132 19013 1516 1 3 . 1 1 75 75 THR CB C 75 69.887 69.887 72.125 -2.238 19013 1517 1 3 . 1 1 76 76 LYS N N 76 130.596 130.596 129.043 1.553 19013 1518 1 3 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.067 0.655 19013 1519 1 3 . 1 1 76 76 LYS C C 76 177.934 177.934 175.702 2.232 19013 1520 1 3 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.865 0.175 19013 1521 1 3 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.807 1.363 19013 1522 1 3 . 1 1 77 77 LEU N N 77 128.006 128.006 127.958 0.048 19013 1523 1 3 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.787 -0.500 19013 1524 1 3 . 1 1 77 77 LEU C C 77 174.557 174.557 175.528 -0.971 19013 1525 1 3 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.669 1.629 19013 1526 1 3 . 1 1 77 77 LEU CB C 77 46.100 46.100 45.587 0.513 19013 1527 1 3 . 1 1 78 78 THR N N 78 123.666 123.666 119.684 3.982 19013 1528 1 3 . 1 1 78 78 THR HA H 78 4.435 4.435 4.864 -0.429 19013 1529 1 3 . 1 1 78 78 THR C C 78 174.067 174.067 174.168 -0.101 19013 1530 1 3 . 1 1 78 78 THR CA C 78 62.500 62.500 61.723 0.777 19013 1531 1 3 . 1 1 78 78 THR CB C 78 67.902 67.902 69.296 -1.394 19013 1532 1 3 . 1 1 79 79 TYR N N 79 125.290 125.290 125.835 -0.545 19013 1533 1 3 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.312 0.640 19013 1534 1 3 . 1 1 79 79 TYR C C 79 176.523 176.523 177.672 -1.149 19013 1535 1 3 . 1 1 79 79 TYR CA C 79 59.379 59.379 60.608 -1.229 19013 1536 1 3 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.657 1.162 19013 1537 1 3 . 1 1 80 80 ALA N N 80 121.971 121.971 120.549 1.422 19013 1538 1 3 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.913 0.146 19013 1539 1 3 . 1 1 80 80 ALA C C 80 177.255 177.255 177.050 0.205 19013 1540 1 3 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.514 0.416 19013 1541 1 3 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.180 2.006 19013 1542 1 3 . 1 1 81 81 ASN N N 81 112.786 112.786 117.747 -4.961 19013 1543 1 3 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.953 0.144 19013 1544 1 3 . 1 1 81 81 ASN C C 81 175.438 175.438 175.548 -0.110 19013 1545 1 3 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.491 -1.003 19013 1546 1 3 . 1 1 81 81 ASN CB C 81 41.430 41.430 40.110 1.320 19013 1547 1 3 . 1 1 82 82 HIS N N 82 123.560 123.560 123.855 -0.295 19013 1548 1 3 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.592 -0.305 19013 1549 1 3 . 1 1 82 82 HIS C C 82 176.494 176.494 177.256 -0.762 19013 1550 1 3 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.262 -1.171 19013 1551 1 3 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.957 -1.394 19013 1552 1 3 . 1 1 83 83 SER N N 83 114.623 114.623 113.533 1.090 19013 1553 1 3 . 1 1 83 83 SER HA H 83 4.095 4.095 4.139 -0.044 19013 1554 1 3 . 1 1 83 83 SER C C 83 177.619 177.619 176.362 1.257 19013 1555 1 3 . 1 1 83 83 SER CA C 83 61.637 61.637 61.674 -0.037 19013 1556 1 3 . 1 1 83 83 SER CB C 83 61.644 61.644 63.019 -1.375 19013 1557 1 3 . 1 1 84 84 SER N N 84 120.863 120.863 116.431 4.432 19013 1558 1 3 . 1 1 84 84 SER HA H 84 3.935 3.935 3.644 0.291 19013 1559 1 3 . 1 1 84 84 SER C C 84 173.466 173.466 175.493 -2.027 19013 1560 1 3 . 1 1 84 84 SER CA C 84 62.250 62.250 59.776 2.474 19013 1561 1 3 . 1 1 84 84 SER CB C 84 62.700 62.700 61.856 0.844 19013 1562 1 3 . 1 1 85 85 TYR N N 85 122.263 122.263 124.266 -2.003 19013 1563 1 3 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.987 -0.218 19013 1564 1 3 . 1 1 85 85 TYR C C 85 175.010 175.010 177.754 -2.744 19013 1565 1 3 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.328 -0.655 19013 1566 1 3 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.338 -0.713 19013 1567 1 3 . 1 1 86 86 LEU N N 86 117.366 117.366 119.191 -1.825 19013 1568 1 3 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.860 -0.323 19013 1569 1 3 . 1 1 86 86 LEU C C 86 179.942 179.942 178.727 1.215 19013 1570 1 3 . 1 1 86 86 LEU CA C 86 57.269 57.269 56.695 0.574 19013 1571 1 3 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.720 -0.026 19013 1572 1 3 . 1 1 87 87 ARG N N 87 118.578 118.578 118.152 0.426 19013 1573 1 3 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.094 -0.246 19013 1574 1 3 . 1 1 87 87 ARG C C 87 178.784 178.784 177.831 0.953 19013 1575 1 3 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.325 -0.884 19013 1576 1 3 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.713 -0.772 19013 1577 1 3 . 1 1 88 88 ALA N N 88 123.868 123.868 121.001 2.867 19013 1578 1 3 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.274 -0.731 19013 1579 1 3 . 1 1 88 88 ALA C C 88 179.517 179.517 177.831 1.686 19013 1580 1 3 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.363 2.051 19013 1581 1 3 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.500 -0.358 19013 1582 1 3 . 1 1 89 89 LEU N N 89 114.573 114.573 116.831 -2.258 19013 1583 1 3 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.180 -0.256 19013 1584 1 3 . 1 1 89 89 LEU C C 89 180.088 180.088 177.128 2.960 19013 1585 1 3 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.762 2.655 19013 1586 1 3 . 1 1 89 89 LEU CB C 89 41.886 41.886 40.708 1.178 19013 1587 1 3 . 1 1 90 90 ARG N N 90 116.735 116.735 119.541 -2.806 19013 1588 1 3 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.185 -0.053 19013 1589 1 3 . 1 1 90 90 ARG C C 90 177.429 177.429 175.852 1.577 19013 1590 1 3 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.208 1.591 19013 1591 1 3 . 1 1 90 90 ARG CB C 90 29.834 29.834 28.068 1.766 19013 1592 1 3 . 1 1 91 91 GLU N N 91 115.787 115.787 123.779 -7.992 19013 1593 1 3 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.524 -0.377 19013 1594 1 3 . 1 1 91 91 GLU C C 91 176.303 176.303 174.811 1.492 19013 1595 1 3 . 1 1 91 91 GLU CA C 91 55.336 55.336 56.535 -1.199 19013 1596 1 3 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.222 -0.517 19013 1597 1 3 . 1 1 92 92 HIS N N 92 118.997 118.997 124.449 -5.452 19013 1598 1 3 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.834 -0.563 19013 1599 1 3 . 1 1 92 92 HIS C C 92 176.823 176.823 175.485 1.338 19013 1600 1 3 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.647 3.806 19013 1601 1 3 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.287 0.525 19013 1602 1 3 . 1 1 93 93 GLY N N 93 116.944 116.944 109.384 7.560 19013 1603 1 3 . 1 1 93 93 GLY C C 93 174.512 174.512 174.429 0.083 19013 1604 1 3 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.071 -0.095 19013 1605 1 3 . 1 1 94 94 THR N N 94 117.838 117.838 119.131 -1.293 19013 1606 1 3 . 1 1 94 94 THR HA H 94 4.059 4.059 4.388 -0.329 19013 1607 1 3 . 1 1 94 94 THR C C 94 172.656 172.656 174.037 -1.381 19013 1608 1 3 . 1 1 94 94 THR CA C 94 63.330 63.330 62.018 1.312 19013 1609 1 3 . 1 1 94 94 THR CB C 94 69.936 69.936 68.454 1.482 19013 1610 1 3 . 1 1 95 95 ILE N N 95 124.155 124.155 127.401 -3.246 19013 1611 1 3 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.187 0.201 19013 1612 1 3 . 1 1 95 95 ILE C C 95 175.534 175.534 174.813 0.721 19013 1613 1 3 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.710 -0.933 19013 1614 1 3 . 1 1 95 95 ILE CB C 95 35.990 35.990 37.013 -1.023 19013 1615 1 3 . 1 1 96 96 TYR N N 96 130.370 130.370 129.010 1.360 19013 1616 1 3 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.732 -0.169 19013 1617 1 3 . 1 1 96 96 TYR C C 96 174.539 174.539 175.854 -1.315 19013 1618 1 3 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.857 -0.401 19013 1619 1 3 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.246 0.481 19013 1620 1 3 . 1 1 97 97 CYS N N 97 123.936 123.936 126.683 -2.747 19013 1621 1 3 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.945 -0.287 19013 1622 1 3 . 1 1 97 97 CYS C C 97 175.798 175.798 175.285 0.513 19013 1623 1 3 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.315 0.506 19013 1624 1 3 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.380 -0.901 19013 1625 1 3 . 1 1 98 98 GLY N N 98 103.268 103.268 106.062 -2.794 19013 1626 1 3 . 1 1 98 98 GLY C C 98 173.270 173.270 172.974 0.296 19013 1627 1 3 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.789 0.523 19013 1628 1 3 . 1 1 99 99 ALA N N 99 123.511 123.511 123.460 0.051 19013 1629 1 3 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.757 -0.062 19013 1630 1 3 . 1 1 99 99 ALA C C 99 175.215 175.215 175.573 -0.358 19013 1631 1 3 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.894 -0.116 19013 1632 1 3 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.695 0.060 19013 1633 1 3 . 1 1 100 100 ALA N N 100 124.957 124.957 124.463 0.494 19013 1634 1 3 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.567 -0.934 19013 1635 1 3 . 1 1 100 100 ALA C C 100 177.477 177.477 177.497 -0.020 19013 1636 1 3 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.547 0.976 19013 1637 1 3 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.759 -1.590 19013 1638 1 3 . 1 1 101 101 ILE N N 101 121.598 121.598 118.191 3.407 19013 1639 1 3 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.935 -0.480 19013 1640 1 3 . 1 1 101 101 ILE C C 101 175.956 175.956 175.357 0.599 19013 1641 1 3 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.458 0.506 19013 1642 1 3 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.807 1.028 19013 1643 1 3 . 1 1 102 102 GLY N N 102 113.717 113.717 114.844 -1.127 19013 1644 1 3 . 1 1 102 102 GLY C C 102 172.857 172.857 171.756 1.101 19013 1645 1 3 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.506 -1.062 19013 1646 1 3 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.467 0.067 19013 1647 1 3 . 1 1 103 103 CYS C C 103 172.624 172.624 173.754 -1.130 19013 1648 1 3 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.529 2.175 19013 1649 1 3 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.704 -2.361 19013 1650 1 3 . 1 1 104 104 VAL N N 104 118.519 118.519 122.117 -3.598 19013 1651 1 3 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.836 0.069 19013 1652 1 3 . 1 1 104 104 VAL C C 104 172.705 172.705 173.339 -0.634 19013 1653 1 3 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.038 -0.625 19013 1654 1 3 . 1 1 104 104 VAL CB C 104 33.103 33.103 34.046 -0.943 19013 1655 1 3 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.499 0.116 19013 1656 1 3 . 1 1 105 105 PRO C C 105 176.557 176.557 175.983 0.574 19013 1657 1 3 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.967 0.587 19013 1658 1 3 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.208 0.459 19013 1659 1 3 . 1 1 106 106 TYR N N 106 121.923 121.923 124.321 -2.398 19013 1660 1 3 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.257 -0.427 19013 1661 1 3 . 1 1 106 106 TYR C C 106 174.643 174.643 175.167 -0.524 19013 1662 1 3 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.034 0.984 19013 1663 1 3 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.519 0.868 19013 1664 1 3 . 1 1 107 107 LYS N N 107 124.087 124.087 128.848 -4.761 19013 1665 1 3 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.480 -0.299 19013 1666 1 3 . 1 1 107 107 LYS C C 107 176.443 176.443 176.234 0.209 19013 1667 1 3 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.215 0.562 19013 1668 1 3 . 1 1 107 107 LYS CB C 107 35.925 35.925 33.400 2.525 19013 1669 1 3 . 1 1 108 108 HIS N N 108 124.171 124.171 126.461 -2.290 19013 1670 1 3 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.053 -0.093 19013 1671 1 3 . 1 1 108 108 HIS C C 108 176.998 176.998 176.634 0.364 19013 1672 1 3 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.752 -1.153 19013 1673 1 3 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.527 -1.979 19013 1674 1 3 . 1 1 109 109 GLU N N 109 118.941 118.941 119.727 -0.786 19013 1675 1 3 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.941 -0.028 19013 1676 1 3 . 1 1 109 109 GLU C C 109 177.738 177.738 178.868 -1.130 19013 1677 1 3 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.064 0.273 19013 1678 1 3 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.095 -0.376 19013 1679 1 3 . 1 1 110 110 LEU N N 110 118.555 118.555 120.790 -2.235 19013 1680 1 3 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.827 0.174 19013 1681 1 3 . 1 1 110 110 LEU C C 110 177.872 177.872 178.133 -0.261 19013 1682 1 3 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.477 -1.104 19013 1683 1 3 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.381 0.574 19013 1684 1 3 . 1 1 111 111 ILE N N 111 117.129 117.129 118.621 -1.492 19013 1685 1 3 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.082 -0.112 19013 1686 1 3 . 1 1 111 111 ILE C C 111 178.773 178.773 177.993 0.780 19013 1687 1 3 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.618 -0.880 19013 1688 1 3 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.042 -0.625 19013 1689 1 3 . 1 1 112 112 SER N N 112 116.165 116.165 116.635 -0.470 19013 1690 1 3 . 1 1 112 112 SER HA H 112 4.000 4.000 3.839 0.161 19013 1691 1 3 . 1 1 112 112 SER C C 112 176.313 176.313 176.573 -0.260 19013 1692 1 3 . 1 1 112 112 SER CA C 112 61.433 61.433 62.007 -0.574 19013 1693 1 3 . 1 1 112 112 SER CB C 112 62.188 62.188 62.610 -0.422 19013 1694 1 3 . 1 1 113 113 GLU N N 113 120.732 120.732 121.481 -0.749 19013 1695 1 3 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.930 0.056 19013 1696 1 3 . 1 1 113 113 GLU C C 113 178.799 178.799 178.992 -0.193 19013 1697 1 3 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.980 -0.459 19013 1698 1 3 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.372 0.010 19013 1699 1 3 . 1 1 114 114 LEU N N 114 119.452 119.452 118.702 0.750 19013 1700 1 3 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.745 -0.022 19013 1701 1 3 . 1 1 114 114 LEU C C 114 179.184 179.184 179.678 -0.494 19013 1702 1 3 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.256 -0.572 19013 1703 1 3 . 1 1 114 114 LEU CB C 114 39.987 39.987 40.852 -0.865 19013 1704 1 3 . 1 1 115 115 SER N N 115 112.708 112.708 115.370 -2.662 19013 1705 1 3 . 1 1 115 115 SER HA H 115 4.615 4.615 4.369 0.246 19013 1706 1 3 . 1 1 115 115 SER C C 115 174.994 174.994 176.574 -1.580 19013 1707 1 3 . 1 1 115 115 SER CA C 115 59.706 59.706 61.461 -1.755 19013 1708 1 3 . 1 1 115 115 SER CB C 115 63.512 63.512 63.264 0.248 19013 1709 1 3 . 1 1 116 116 ARG N N 116 121.600 121.600 118.607 2.993 19013 1710 1 3 . 1 1 116 116 ARG HA H 116 4.241 4.241 3.913 0.328 19013 1711 1 3 . 1 1 116 116 ARG C C 116 176.893 176.893 177.611 -0.718 19013 1712 1 3 . 1 1 116 116 ARG CA C 116 57.022 57.022 58.112 -1.090 19013 1713 1 3 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.298 0.865 19013 1714 1 3 . 1 1 117 117 GLU N N 117 120.450 120.450 119.959 0.491 19013 1715 1 3 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.883 0.357 19013 1716 1 3 . 1 1 117 117 GLU C C 117 177.260 177.260 177.193 0.067 19013 1717 1 3 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.749 -0.707 19013 1718 1 3 . 1 1 117 117 GLU CB C 117 29.763 29.763 29.006 0.757 19013 1719 1 3 . 1 1 118 118 GLY N N 118 108.905 108.905 104.774 4.131 19013 1720 1 3 . 1 1 118 118 GLY C C 118 174.225 174.225 174.830 -0.605 19013 1721 1 3 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.383 0.000 19013 1722 1 3 . 1 1 119 119 HIS N N 119 117.625 117.625 115.755 1.870 19013 1723 1 3 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.171 0.488 19013 1724 1 3 . 1 1 119 119 HIS C C 119 174.439 174.439 175.243 -0.804 19013 1725 1 3 . 1 1 119 119 HIS CA C 119 55.413 55.413 57.336 -1.923 19013 1726 1 3 . 1 1 119 119 HIS CB C 119 28.904 28.904 26.821 2.083 19013 1727 1 3 . 1 1 120 120 HIS N N 120 119.015 119.015 115.836 3.179 19013 1728 1 3 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.618 0.054 19013 1729 1 3 . 1 1 120 120 HIS C C 120 174.259 174.259 175.200 -0.941 19013 1730 1 3 . 1 1 120 120 HIS CA C 120 55.321 55.321 54.976 0.345 19013 1731 1 3 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.542 -1.444 19013 1732 1 3 . 1 1 121 121 HIS N N 121 119.872 119.872 118.078 1.794 19013 1733 1 3 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.065 0.615 19013 1734 1 3 . 1 1 121 121 HIS C C 121 174.245 174.245 174.130 0.115 19013 1735 1 3 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.913 -0.525 19013 1736 1 3 . 1 1 121 121 HIS CB C 121 29.259 29.259 29.905 -0.646 19013 1737 1 3 . 1 1 122 122 HIS N N 122 120.597 120.597 124.151 -3.554 19013 1738 1 3 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.431 0.256 19013 1739 1 3 . 1 1 122 122 HIS C C 122 174.101 174.101 176.439 -2.338 19013 1740 1 3 . 1 1 122 122 HIS CA C 122 55.386 55.386 57.675 -2.289 19013 1741 1 3 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.465 -1.116 19013 1742 1 3 . 1 1 123 123 HIS N N 123 120.680 120.680 116.058 4.622 19013 1743 1 3 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.274 0.382 19013 1744 1 3 . 1 1 123 123 HIS C C 123 173.591 173.591 174.939 -1.348 19013 1745 1 3 . 1 1 123 123 HIS CA C 123 55.563 55.563 58.516 -2.953 19013 1746 1 3 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.130 0.326 19013 1747 1 4 . 1 1 2 2 SER HA H 2 4.167 4.167 4.191 -0.024 19013 1748 1 4 . 1 1 2 2 SER C C 2 170.960 170.960 174.546 -3.586 19013 1749 1 4 . 1 1 2 2 SER CA C 2 57.139 57.139 58.728 -1.589 19013 1750 1 4 . 1 1 2 2 SER CB C 2 63.027 63.027 62.641 0.386 19013 1751 1 4 . 1 1 3 3 LEU N N 3 123.102 123.102 121.225 1.877 19013 1752 1 4 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.198 0.217 19013 1753 1 4 . 1 1 3 3 LEU C C 3 177.886 177.886 178.437 -0.551 19013 1754 1 4 . 1 1 3 3 LEU CA C 3 55.625 55.625 56.779 -1.155 19013 1755 1 4 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.952 0.382 19013 1756 1 4 . 1 1 4 4 GLY N N 4 110.546 110.546 105.565 4.981 19013 1757 1 4 . 1 1 4 4 GLY C C 4 174.473 174.473 173.471 1.002 19013 1758 1 4 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.596 0.674 19013 1759 1 4 . 1 1 5 5 SER N N 5 115.839 115.839 115.624 0.215 19013 1760 1 4 . 1 1 5 5 SER HA H 5 4.472 4.472 4.652 -0.180 19013 1761 1 4 . 1 1 5 5 SER C C 5 175.085 175.085 176.380 -1.295 19013 1762 1 4 . 1 1 5 5 SER CA C 5 58.419 58.419 57.627 0.792 19013 1763 1 4 . 1 1 5 5 SER CB C 5 63.648 63.648 64.231 -0.583 19013 1764 1 4 . 1 1 6 6 GLU N N 6 122.855 122.855 124.740 -1.885 19013 1765 1 4 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.148 0.192 19013 1766 1 4 . 1 1 6 6 GLU C C 6 176.767 176.767 176.935 -0.168 19013 1767 1 4 . 1 1 6 6 GLU CA C 6 57.020 57.020 58.542 -1.522 19013 1768 1 4 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.910 -0.125 19013 1769 1 4 . 1 1 7 7 SER N N 7 116.046 116.046 111.278 4.768 19013 1770 1 4 . 1 1 7 7 SER HA H 7 4.444 4.444 4.150 0.294 19013 1771 1 4 . 1 1 7 7 SER C C 7 174.946 174.946 173.652 1.294 19013 1772 1 4 . 1 1 7 7 SER CA C 7 58.587 58.587 58.809 -0.222 19013 1773 1 4 . 1 1 7 7 SER CB C 7 63.645 63.645 61.818 1.827 19013 1774 1 4 . 1 1 8 8 GLU N N 8 122.758 122.758 120.601 2.157 19013 1775 1 4 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.447 -0.075 19013 1776 1 4 . 1 1 8 8 GLU C C 8 176.929 176.929 177.410 -0.481 19013 1777 1 4 . 1 1 8 8 GLU CA C 8 56.902 56.902 55.259 1.643 19013 1778 1 4 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.408 0.429 19013 1779 1 4 . 1 1 9 9 THR N N 9 113.221 113.221 117.014 -3.793 19013 1780 1 4 . 1 1 9 9 THR HA H 9 4.295 4.295 4.113 0.182 19013 1781 1 4 . 1 1 9 9 THR C C 9 175.371 175.371 176.507 -1.136 19013 1782 1 4 . 1 1 9 9 THR CA C 9 62.279 62.279 63.628 -1.349 19013 1783 1 4 . 1 1 9 9 THR CB C 9 69.828 69.828 68.969 0.859 19013 1784 1 4 . 1 1 10 10 GLY N N 10 110.774 110.774 109.209 1.565 19013 1785 1 4 . 1 1 10 10 GLY C C 10 173.283 173.283 175.129 -1.846 19013 1786 1 4 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.642 -0.911 19013 1787 1 4 . 1 1 11 11 ASN N N 11 116.215 116.215 120.260 -4.045 19013 1788 1 4 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.306 -0.039 19013 1789 1 4 . 1 1 11 11 ASN C C 11 174.352 174.352 173.586 0.766 19013 1790 1 4 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.396 0.071 19013 1791 1 4 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.554 0.929 19013 1792 1 4 . 1 1 12 12 ALA N N 12 121.979 121.979 119.359 2.620 19013 1793 1 4 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.244 0.741 19013 1794 1 4 . 1 1 12 12 ALA C C 12 177.325 177.325 175.621 1.704 19013 1795 1 4 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.467 0.070 19013 1796 1 4 . 1 1 12 12 ALA CB C 12 21.830 21.830 22.120 -0.290 19013 1797 1 4 . 1 1 13 13 VAL N N 13 116.191 116.191 117.972 -1.781 19013 1798 1 4 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.371 -0.045 19013 1799 1 4 . 1 1 13 13 VAL C C 13 175.275 175.275 174.547 0.728 19013 1800 1 4 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.375 -0.613 19013 1801 1 4 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.039 0.122 19013 1802 1 4 . 1 1 14 14 VAL N N 14 119.334 119.334 123.086 -3.752 19013 1803 1 4 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.648 0.590 19013 1804 1 4 . 1 1 14 14 VAL C C 14 174.716 174.716 175.479 -0.763 19013 1805 1 4 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.867 -0.570 19013 1806 1 4 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.788 1.592 19013 1807 1 4 . 1 1 15 15 VAL N N 15 127.812 127.812 129.106 -1.294 19013 1808 1 4 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.877 0.431 19013 1809 1 4 . 1 1 15 15 VAL C C 15 176.256 176.256 175.286 0.970 19013 1810 1 4 . 1 1 15 15 VAL CA C 15 60.155 60.155 62.056 -1.901 19013 1811 1 4 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.255 1.046 19013 1812 1 4 . 1 1 16 16 PHE N N 16 122.243 122.243 121.510 0.733 19013 1813 1 4 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.545 0.374 19013 1814 1 4 . 1 1 16 16 PHE C C 16 174.623 174.623 175.063 -0.440 19013 1815 1 4 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.143 0.992 19013 1816 1 4 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.339 -0.246 19013 1817 1 4 . 1 1 17 17 GLY N N 17 106.894 106.894 106.559 0.335 19013 1818 1 4 . 1 1 17 17 GLY C C 17 174.023 174.023 173.886 0.137 19013 1819 1 4 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.231 -0.270 19013 1820 1 4 . 1 1 18 18 TYR N N 18 115.205 115.205 117.567 -2.362 19013 1821 1 4 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.940 -0.074 19013 1822 1 4 . 1 1 18 18 TYR C C 18 173.847 173.847 174.728 -0.881 19013 1823 1 4 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.460 -2.295 19013 1824 1 4 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.478 0.353 19013 1825 1 4 . 1 1 19 19 ARG N N 19 116.814 116.814 120.531 -3.717 19013 1826 1 4 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.309 0.146 19013 1827 1 4 . 1 1 19 19 ARG C C 19 177.198 177.198 177.500 -0.302 19013 1828 1 4 . 1 1 19 19 ARG CA C 19 54.928 54.928 58.073 -3.145 19013 1829 1 4 . 1 1 19 19 ARG CB C 19 30.721 30.721 31.466 -0.745 19013 1830 1 4 . 1 1 20 20 GLU N N 20 125.261 125.261 115.617 9.644 19013 1831 1 4 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.481 -0.423 19013 1832 1 4 . 1 1 20 20 GLU C C 20 180.643 180.643 176.142 4.501 19013 1833 1 4 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.060 2.469 19013 1834 1 4 . 1 1 20 20 GLU CB C 20 29.863 29.863 30.107 -0.244 19013 1835 1 4 . 1 1 21 21 ALA N N 21 119.760 119.760 122.163 -2.403 19013 1836 1 4 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.487 -0.133 19013 1837 1 4 . 1 1 21 21 ALA C C 21 179.291 179.291 177.747 1.544 19013 1838 1 4 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.449 1.231 19013 1839 1 4 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.500 0.910 19013 1840 1 4 . 1 1 22 22 ILE N N 22 109.751 109.751 111.578 -1.827 19013 1841 1 4 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.360 0.815 19013 1842 1 4 . 1 1 22 22 ILE C C 22 175.636 175.636 176.043 -0.407 19013 1843 1 4 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.343 -0.112 19013 1844 1 4 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.233 1.212 19013 1845 1 4 . 1 1 23 23 THR N N 23 118.763 118.763 118.910 -0.147 19013 1846 1 4 . 1 1 23 23 THR HA H 23 3.375 3.375 3.901 -0.526 19013 1847 1 4 . 1 1 23 23 THR C C 23 175.159 175.159 176.271 -1.112 19013 1848 1 4 . 1 1 23 23 THR CA C 23 68.267 68.267 66.929 1.338 19013 1849 1 4 . 1 1 23 23 THR CB C 23 69.564 69.564 68.218 1.346 19013 1850 1 4 . 1 1 24 24 LYS N N 24 118.723 118.723 119.215 -0.492 19013 1851 1 4 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.043 -0.380 19013 1852 1 4 . 1 1 24 24 LYS C C 24 178.421 178.421 179.458 -1.037 19013 1853 1 4 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.138 1.916 19013 1854 1 4 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.260 0.521 19013 1855 1 4 . 1 1 25 25 GLN N N 25 118.276 118.276 118.302 -0.026 19013 1856 1 4 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.311 -0.268 19013 1857 1 4 . 1 1 25 25 GLN C C 25 179.248 179.248 178.980 0.268 19013 1858 1 4 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.106 1.574 19013 1859 1 4 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.047 -0.802 19013 1860 1 4 . 1 1 26 26 ILE N N 26 122.000 122.000 121.586 0.414 19013 1861 1 4 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.576 0.193 19013 1862 1 4 . 1 1 26 26 ILE C C 26 177.797 177.797 177.418 0.379 19013 1863 1 4 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.457 -1.279 19013 1864 1 4 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.983 -2.392 19013 1865 1 4 . 1 1 27 27 LEU N N 27 119.685 119.685 121.344 -1.659 19013 1866 1 4 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.068 -0.150 19013 1867 1 4 . 1 1 27 27 LEU C C 27 178.173 178.173 177.810 0.363 19013 1868 1 4 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.141 0.166 19013 1869 1 4 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.538 -0.451 19013 1870 1 4 . 1 1 28 28 ALA N N 28 118.927 118.927 118.947 -0.020 19013 1871 1 4 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.083 -0.221 19013 1872 1 4 . 1 1 28 28 ALA C C 28 179.693 179.693 178.532 1.161 19013 1873 1 4 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.463 0.439 19013 1874 1 4 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.295 -0.179 19013 1875 1 4 . 1 1 29 29 TYR N N 29 119.687 119.687 117.731 1.956 19013 1876 1 4 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.300 -0.378 19013 1877 1 4 . 1 1 29 29 TYR C C 29 178.234 178.234 177.228 1.006 19013 1878 1 4 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.170 -0.034 19013 1879 1 4 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.968 -1.592 19013 1880 1 4 . 1 1 30 30 PHE N N 30 115.353 115.353 117.371 -2.018 19013 1881 1 4 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.746 -0.817 19013 1882 1 4 . 1 1 30 30 PHE C C 30 180.031 180.031 176.727 3.304 19013 1883 1 4 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.458 2.357 19013 1884 1 4 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.175 -1.224 19013 1885 1 4 . 1 1 31 31 ALA N N 31 125.929 125.929 122.424 3.505 19013 1886 1 4 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.755 -0.293 19013 1887 1 4 . 1 1 31 31 ALA C C 31 178.235 178.235 178.255 -0.020 19013 1888 1 4 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.092 -0.298 19013 1889 1 4 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.340 -0.858 19013 1890 1 4 . 1 1 32 32 GLN N N 32 113.541 113.541 117.387 -3.846 19013 1891 1 4 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.922 0.034 19013 1892 1 4 . 1 1 32 32 GLN C C 32 177.465 177.465 176.787 0.678 19013 1893 1 4 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.118 -1.159 19013 1894 1 4 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.567 0.518 19013 1895 1 4 . 1 1 33 33 PHE N N 33 114.638 114.638 115.477 -0.839 19013 1896 1 4 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.698 -0.048 19013 1897 1 4 . 1 1 33 33 PHE C C 33 175.848 175.848 176.086 -0.238 19013 1898 1 4 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.170 -2.104 19013 1899 1 4 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.708 -3.778 19013 1900 1 4 . 1 1 34 34 GLY N N 34 106.452 106.452 104.589 1.863 19013 1901 1 4 . 1 1 34 34 GLY C C 34 170.428 170.428 171.677 -1.249 19013 1902 1 4 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.824 -0.260 19013 1903 1 4 . 1 1 35 35 GLU N N 35 118.228 118.228 119.597 -1.369 19013 1904 1 4 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.690 -0.524 19013 1905 1 4 . 1 1 35 35 GLU C C 35 175.939 175.939 175.220 0.719 19013 1906 1 4 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.059 2.326 19013 1907 1 4 . 1 1 35 35 GLU CB C 35 30.115 30.115 31.075 -0.960 19013 1908 1 4 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.295 0.269 19013 1909 1 4 . 1 1 36 36 ILE C C 36 176.530 176.530 174.808 1.722 19013 1910 1 4 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.376 -0.529 19013 1911 1 4 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.802 1.792 19013 1912 1 4 . 1 1 37 37 LEU N N 37 125.464 125.464 122.605 2.859 19013 1913 1 4 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.880 0.209 19013 1914 1 4 . 1 1 37 37 LEU C C 37 178.470 178.470 176.075 2.395 19013 1915 1 4 . 1 1 37 37 LEU CA C 37 57.114 57.114 55.632 1.482 19013 1916 1 4 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.725 0.451 19013 1917 1 4 . 1 1 38 38 GLU N N 38 120.405 120.405 118.953 1.452 19013 1918 1 4 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.240 -0.061 19013 1919 1 4 . 1 1 38 38 GLU C C 38 175.620 175.620 175.728 -0.108 19013 1920 1 4 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.716 1.914 19013 1921 1 4 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.730 -1.179 19013 1922 1 4 . 1 1 39 39 ASP N N 39 117.746 117.746 120.138 -2.392 19013 1923 1 4 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.555 -0.053 19013 1924 1 4 . 1 1 39 39 ASP C C 39 176.811 176.811 175.974 0.837 19013 1925 1 4 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.328 -0.458 19013 1926 1 4 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.103 0.278 19013 1927 1 4 . 1 1 40 40 LEU N N 40 127.180 127.180 124.621 2.559 19013 1928 1 4 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.518 -0.208 19013 1929 1 4 . 1 1 40 40 LEU C C 40 177.950 177.950 176.205 1.745 19013 1930 1 4 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.256 -0.152 19013 1931 1 4 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.060 -1.354 19013 1932 1 4 . 1 1 41 41 GLU N N 41 120.599 120.599 115.533 5.066 19013 1933 1 4 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.094 -0.164 19013 1934 1 4 . 1 1 41 41 GLU C C 41 178.353 178.353 175.447 2.906 19013 1935 1 4 . 1 1 41 41 GLU CA C 41 59.238 59.238 56.978 2.260 19013 1936 1 4 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.085 -0.694 19013 1937 1 4 . 1 1 42 42 SER N N 42 114.356 114.356 111.360 2.996 19013 1938 1 4 . 1 1 42 42 SER HA H 42 4.209 4.209 4.109 0.100 19013 1939 1 4 . 1 1 42 42 SER C C 42 175.221 175.221 174.440 0.781 19013 1940 1 4 . 1 1 42 42 SER CA C 42 60.331 60.331 59.724 0.607 19013 1941 1 4 . 1 1 42 42 SER CB C 42 62.849 62.849 62.374 0.475 19013 1942 1 4 . 1 1 43 43 GLU N N 43 119.711 119.711 120.069 -0.358 19013 1943 1 4 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.229 0.057 19013 1944 1 4 . 1 1 43 43 GLU C C 43 176.893 176.893 176.745 0.148 19013 1945 1 4 . 1 1 43 43 GLU CA C 43 57.593 57.593 58.202 -0.609 19013 1946 1 4 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.583 -0.142 19013 1947 1 4 . 1 1 44 44 LEU N N 44 117.788 117.788 117.696 0.092 19013 1948 1 4 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.513 -0.159 19013 1949 1 4 . 1 1 44 44 LEU C C 44 177.944 177.944 176.778 1.166 19013 1950 1 4 . 1 1 44 44 LEU CA C 44 54.941 54.941 53.460 1.481 19013 1951 1 4 . 1 1 44 44 LEU CB C 44 42.375 42.375 44.184 -1.809 19013 1952 1 4 . 1 1 45 45 GLY N N 45 108.349 108.349 107.529 0.820 19013 1953 1 4 . 1 1 45 45 GLY C C 45 173.791 173.791 174.282 -0.491 19013 1954 1 4 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.698 -0.061 19013 1955 1 4 . 1 1 46 46 ASP N N 46 119.869 119.869 118.972 0.897 19013 1956 1 4 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.683 0.006 19013 1957 1 4 . 1 1 46 46 ASP C C 46 176.628 176.628 176.560 0.068 19013 1958 1 4 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.300 -0.279 19013 1959 1 4 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.133 -0.037 19013 1960 1 4 . 1 1 47 47 THR N N 47 113.962 113.962 111.654 2.308 19013 1961 1 4 . 1 1 47 47 THR HA H 47 4.258 4.258 4.252 0.006 19013 1962 1 4 . 1 1 47 47 THR C C 47 175.277 175.277 176.020 -0.743 19013 1963 1 4 . 1 1 47 47 THR CA C 47 62.715 62.715 61.748 0.967 19013 1964 1 4 . 1 1 47 47 THR CB C 47 69.504 69.504 68.835 0.669 19013 1965 1 4 . 1 1 48 48 GLU N N 48 121.748 121.748 122.589 -0.841 19013 1966 1 4 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.001 0.234 19013 1967 1 4 . 1 1 48 48 GLU C C 48 177.221 177.221 177.945 -0.724 19013 1968 1 4 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.300 -1.795 19013 1969 1 4 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.141 0.577 19013 1970 1 4 . 1 1 49 49 THR N N 49 113.781 113.781 111.186 2.595 19013 1971 1 4 . 1 1 49 49 THR HA H 49 4.160 4.160 3.062 1.098 19013 1972 1 4 . 1 1 49 49 THR C C 49 174.979 174.979 175.563 -0.584 19013 1973 1 4 . 1 1 49 49 THR CA C 49 62.989 62.989 63.580 -0.591 19013 1974 1 4 . 1 1 49 49 THR CB C 49 69.198 69.198 68.448 0.750 19013 1975 1 4 . 1 1 50 50 MET N N 50 121.133 121.133 120.207 0.926 19013 1976 1 4 . 1 1 50 50 MET HA H 50 4.295 4.295 4.269 0.026 19013 1977 1 4 . 1 1 50 50 MET C C 50 175.846 175.846 176.194 -0.348 19013 1978 1 4 . 1 1 50 50 MET CA C 50 55.981 55.981 56.479 -0.498 19013 1979 1 4 . 1 1 50 50 MET CB C 50 32.549 32.549 33.125 -0.576 19013 1980 1 4 . 1 1 51 51 ARG N N 51 120.641 120.641 116.728 3.913 19013 1981 1 4 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.543 -0.205 19013 1982 1 4 . 1 1 51 51 ARG C C 51 176.213 176.213 175.845 0.368 19013 1983 1 4 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.377 0.502 19013 1984 1 4 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.518 -0.912 19013 1985 1 4 . 1 1 52 52 THR N N 52 116.663 116.663 110.604 6.059 19013 1986 1 4 . 1 1 52 52 THR HA H 52 4.564 4.564 4.278 0.286 19013 1987 1 4 . 1 1 52 52 THR C C 52 172.814 172.814 173.670 -0.856 19013 1988 1 4 . 1 1 52 52 THR CA C 52 59.828 59.828 62.938 -3.110 19013 1989 1 4 . 1 1 52 52 THR CB C 52 69.498 69.498 68.486 1.012 19013 1990 1 4 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.385 -0.045 19013 1991 1 4 . 1 1 53 53 PRO C C 53 177.518 177.518 177.149 0.369 19013 1992 1 4 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.519 0.471 19013 1993 1 4 . 1 1 53 53 PRO CB C 53 31.917 31.917 32.065 -0.148 19013 1994 1 4 . 1 1 54 54 GLY N N 54 108.804 108.804 107.702 1.102 19013 1995 1 4 . 1 1 54 54 GLY C C 54 174.121 174.121 173.495 0.626 19013 1996 1 4 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.923 0.446 19013 1997 1 4 . 1 1 55 55 TYR N N 55 119.872 119.872 122.782 -2.910 19013 1998 1 4 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.427 -0.067 19013 1999 1 4 . 1 1 55 55 TYR C C 55 175.550 175.550 174.677 0.873 19013 2000 1 4 . 1 1 55 55 TYR CA C 55 58.508 58.508 54.996 3.511 19013 2001 1 4 . 1 1 55 55 TYR CB C 55 38.907 38.907 35.833 3.074 19013 2002 1 4 . 1 1 56 56 PHE N N 56 121.248 121.248 126.069 -4.821 19013 2003 1 4 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.234 0.195 19013 2004 1 4 . 1 1 56 56 PHE C C 56 175.354 175.354 176.916 -1.562 19013 2005 1 4 . 1 1 56 56 PHE CA C 56 58.138 58.138 59.638 -1.500 19013 2006 1 4 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.463 0.050 19013 2007 1 4 . 1 1 57 57 PHE N N 57 121.226 121.226 117.789 3.437 19013 2008 1 4 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.340 0.133 19013 2009 1 4 . 1 1 57 57 PHE C C 57 175.182 175.182 175.257 -0.075 19013 2010 1 4 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.306 -0.480 19013 2011 1 4 . 1 1 57 57 PHE CB C 57 39.529 39.529 38.338 1.191 19013 2012 1 4 . 1 1 58 58 GLN N N 58 121.160 121.160 119.253 1.907 19013 2013 1 4 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.986 0.246 19013 2014 1 4 . 1 1 58 58 GLN C C 58 175.287 175.287 174.487 0.800 19013 2015 1 4 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.730 -0.324 19013 2016 1 4 . 1 1 58 58 GLN CB C 58 29.477 29.477 27.763 1.714 19013 2017 1 4 . 1 1 59 59 GLN N N 59 120.923 120.923 119.134 1.789 19013 2018 1 4 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.122 0.164 19013 2019 1 4 . 1 1 59 59 GLN C C 59 175.318 175.318 174.406 0.912 19013 2020 1 4 . 1 1 59 59 GLN CA C 59 55.297 55.297 57.181 -1.884 19013 2021 1 4 . 1 1 59 59 GLN CB C 59 29.419 29.419 27.404 2.015 19013 2022 1 4 . 1 1 60 60 ALA N N 60 126.737 126.737 126.528 0.209 19013 2023 1 4 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.848 -0.312 19013 2024 1 4 . 1 1 60 60 ALA C C 60 175.924 175.924 176.415 -0.491 19013 2025 1 4 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.766 0.916 19013 2026 1 4 . 1 1 60 60 ALA CB C 60 18.173 18.173 19.600 -1.427 19013 2027 1 4 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.389 0.015 19013 2028 1 4 . 1 1 61 61 PRO C C 61 176.902 176.902 176.616 0.286 19013 2029 1 4 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.086 -0.537 19013 2030 1 4 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.098 -0.117 19013 2031 1 4 . 1 1 62 62 ASN N N 62 116.490 116.490 115.421 1.069 19013 2032 1 4 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.837 -0.237 19013 2033 1 4 . 1 1 62 62 ASN C C 62 174.942 174.942 175.090 -0.148 19013 2034 1 4 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.181 0.117 19013 2035 1 4 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.452 -0.431 19013 2036 1 4 . 1 1 63 63 ARG N N 63 120.117 120.117 120.123 -0.006 19013 2037 1 4 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.689 -0.328 19013 2038 1 4 . 1 1 63 63 ARG C C 63 175.853 175.853 174.805 1.048 19013 2039 1 4 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.507 1.048 19013 2040 1 4 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.683 -1.598 19013 2041 1 4 . 1 1 64 64 ARG N N 64 123.061 123.061 121.993 1.068 19013 2042 1 4 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.237 0.063 19013 2043 1 4 . 1 1 64 64 ARG C C 64 175.995 175.995 176.612 -0.617 19013 2044 1 4 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.602 -0.599 19013 2045 1 4 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.420 0.060 19013 2046 1 4 . 1 1 65 65 ARG N N 65 123.698 123.698 122.556 1.142 19013 2047 1 4 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.162 0.414 19013 2048 1 4 . 1 1 65 65 ARG C C 65 176.085 176.085 176.319 -0.234 19013 2049 1 4 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.218 -1.770 19013 2050 1 4 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.783 0.372 19013 2051 1 4 . 1 1 66 66 ILE N N 66 120.928 120.928 117.974 2.954 19013 2052 1 4 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.074 0.361 19013 2053 1 4 . 1 1 66 66 ILE C C 66 175.488 175.488 174.949 0.539 19013 2054 1 4 . 1 1 66 66 ILE CA C 66 60.214 60.214 60.598 -0.384 19013 2055 1 4 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.345 0.809 19013 2056 1 4 . 1 1 67 67 SER N N 67 119.534 119.534 122.325 -2.791 19013 2057 1 4 . 1 1 67 67 SER HA H 67 4.431 4.431 4.544 -0.113 19013 2058 1 4 . 1 1 67 67 SER C C 67 174.034 174.034 174.260 -0.226 19013 2059 1 4 . 1 1 67 67 SER CA C 67 58.599 58.599 58.141 0.458 19013 2060 1 4 . 1 1 67 67 SER CB C 67 63.499 63.499 63.283 0.216 19013 2061 1 4 . 1 1 68 68 ARG N N 68 124.936 124.936 121.362 3.574 19013 2062 1 4 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.577 -0.002 19013 2063 1 4 . 1 1 68 68 ARG C C 68 175.967 175.967 174.305 1.662 19013 2064 1 4 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.803 0.651 19013 2065 1 4 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.387 0.086 19013 2066 1 4 . 1 1 69 69 GLU N N 69 136.462 136.462 123.860 12.602 19013 2067 1 4 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.252 0.253 19013 2068 1 4 . 1 1 69 69 GLU C C 69 174.852 174.852 174.917 -0.065 19013 2069 1 4 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.623 -0.429 19013 2070 1 4 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.135 -0.334 19013 2071 1 4 . 1 1 70 70 HIS N N 70 120.728 120.728 117.766 2.962 19013 2072 1 4 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.354 -0.618 19013 2073 1 4 . 1 1 70 70 HIS C C 70 171.455 171.455 173.030 -1.575 19013 2074 1 4 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.361 0.213 19013 2075 1 4 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.691 -0.575 19013 2076 1 4 . 1 1 71 71 GLY N N 71 108.698 108.698 108.427 0.271 19013 2077 1 4 . 1 1 71 71 GLY C C 71 174.611 174.611 174.286 0.325 19013 2078 1 4 . 1 1 71 71 GLY CA C 71 43.064 43.064 44.982 -1.918 19013 2079 1 4 . 1 1 72 72 ARG N N 72 123.350 123.350 113.619 9.731 19013 2080 1 4 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.432 -0.237 19013 2081 1 4 . 1 1 72 72 ARG C C 72 178.495 178.495 175.231 3.264 19013 2082 1 4 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.005 3.191 19013 2083 1 4 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.148 0.674 19013 2084 1 4 . 1 1 73 73 THR N N 73 103.467 103.467 111.295 -7.828 19013 2085 1 4 . 1 1 73 73 THR HA H 73 4.196 4.196 4.699 -0.503 19013 2086 1 4 . 1 1 73 73 THR C C 73 171.300 171.300 172.924 -1.624 19013 2087 1 4 . 1 1 73 73 THR CA C 73 59.336 59.336 62.961 -3.625 19013 2088 1 4 . 1 1 73 73 THR CB C 73 69.837 69.837 69.814 0.023 19013 2089 1 4 . 1 1 74 74 TRP N N 74 112.582 112.582 118.545 -5.963 19013 2090 1 4 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.691 0.016 19013 2091 1 4 . 1 1 74 74 TRP C C 74 176.667 176.667 174.129 2.538 19013 2092 1 4 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.905 -0.023 19013 2093 1 4 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.969 0.891 19013 2094 1 4 . 1 1 75 75 THR N N 75 114.629 114.629 116.537 -1.908 19013 2095 1 4 . 1 1 75 75 THR HA H 75 4.594 4.594 4.679 -0.085 19013 2096 1 4 . 1 1 75 75 THR C C 75 170.237 170.237 173.015 -2.778 19013 2097 1 4 . 1 1 75 75 THR CA C 75 61.354 61.354 60.808 0.546 19013 2098 1 4 . 1 1 75 75 THR CB C 75 69.887 69.887 71.710 -1.823 19013 2099 1 4 . 1 1 76 76 LYS N N 76 130.596 130.596 128.620 1.976 19013 2100 1 4 . 1 1 76 76 LYS HA H 76 5.722 5.722 4.937 0.785 19013 2101 1 4 . 1 1 76 76 LYS C C 76 177.934 177.934 175.597 2.337 19013 2102 1 4 . 1 1 76 76 LYS CA C 76 56.040 56.040 56.265 -0.225 19013 2103 1 4 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.547 1.623 19013 2104 1 4 . 1 1 77 77 LEU N N 77 128.006 128.006 129.435 -1.429 19013 2105 1 4 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.517 -0.230 19013 2106 1 4 . 1 1 77 77 LEU C C 77 174.557 174.557 175.503 -0.946 19013 2107 1 4 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.275 2.023 19013 2108 1 4 . 1 1 77 77 LEU CB C 77 46.100 46.100 41.987 4.113 19013 2109 1 4 . 1 1 78 78 THR N N 78 123.666 123.666 122.560 1.106 19013 2110 1 4 . 1 1 78 78 THR HA H 78 4.435 4.435 4.731 -0.296 19013 2111 1 4 . 1 1 78 78 THR C C 78 174.067 174.067 174.227 -0.160 19013 2112 1 4 . 1 1 78 78 THR CA C 78 62.500 62.500 61.581 0.918 19013 2113 1 4 . 1 1 78 78 THR CB C 78 67.902 67.902 68.732 -0.830 19013 2114 1 4 . 1 1 79 79 TYR N N 79 125.290 125.290 125.879 -0.589 19013 2115 1 4 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.497 0.455 19013 2116 1 4 . 1 1 79 79 TYR C C 79 176.523 176.523 177.318 -0.795 19013 2117 1 4 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.510 -0.131 19013 2118 1 4 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.443 1.376 19013 2119 1 4 . 1 1 80 80 ALA N N 80 121.971 121.971 121.540 0.431 19013 2120 1 4 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.901 0.159 19013 2121 1 4 . 1 1 80 80 ALA C C 80 177.255 177.255 177.241 0.014 19013 2122 1 4 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.603 0.327 19013 2123 1 4 . 1 1 80 80 ALA CB C 80 19.186 19.186 16.972 2.214 19013 2124 1 4 . 1 1 81 81 ASN N N 81 112.786 112.786 118.695 -5.909 19013 2125 1 4 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.865 0.232 19013 2126 1 4 . 1 1 81 81 ASN C C 81 175.438 175.438 176.024 -0.586 19013 2127 1 4 . 1 1 81 81 ASN CA C 81 51.488 51.488 53.234 -1.746 19013 2128 1 4 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.429 2.001 19013 2129 1 4 . 1 1 82 82 HIS N N 82 123.560 123.560 124.333 -0.773 19013 2130 1 4 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.313 -0.026 19013 2131 1 4 . 1 1 82 82 HIS C C 82 176.494 176.494 176.964 -0.470 19013 2132 1 4 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.643 -1.552 19013 2133 1 4 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.048 -1.485 19013 2134 1 4 . 1 1 83 83 SER N N 83 114.623 114.623 113.603 1.020 19013 2135 1 4 . 1 1 83 83 SER HA H 83 4.095 4.095 4.229 -0.134 19013 2136 1 4 . 1 1 83 83 SER C C 83 177.619 177.619 176.414 1.205 19013 2137 1 4 . 1 1 83 83 SER CA C 83 61.637 61.637 62.011 -0.374 19013 2138 1 4 . 1 1 83 83 SER CB C 83 61.644 61.644 62.958 -1.314 19013 2139 1 4 . 1 1 84 84 SER N N 84 120.863 120.863 117.848 3.015 19013 2140 1 4 . 1 1 84 84 SER HA H 84 3.935 3.935 3.789 0.146 19013 2141 1 4 . 1 1 84 84 SER C C 84 173.466 173.466 175.845 -2.379 19013 2142 1 4 . 1 1 84 84 SER CA C 84 62.250 62.250 60.098 2.152 19013 2143 1 4 . 1 1 84 84 SER CB C 84 62.700 62.700 62.607 0.093 19013 2144 1 4 . 1 1 85 85 TYR N N 85 122.263 122.263 123.790 -1.527 19013 2145 1 4 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.165 -0.396 19013 2146 1 4 . 1 1 85 85 TYR C C 85 175.010 175.010 177.679 -2.669 19013 2147 1 4 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.466 -0.793 19013 2148 1 4 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.358 -0.733 19013 2149 1 4 . 1 1 86 86 LEU N N 86 117.366 117.366 119.978 -2.612 19013 2150 1 4 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.856 -0.319 19013 2151 1 4 . 1 1 86 86 LEU C C 86 179.942 179.942 178.885 1.057 19013 2152 1 4 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.179 0.090 19013 2153 1 4 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.746 -0.052 19013 2154 1 4 . 1 1 87 87 ARG N N 87 118.578 118.578 117.516 1.062 19013 2155 1 4 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.888 -0.040 19013 2156 1 4 . 1 1 87 87 ARG C C 87 178.784 178.784 176.919 1.865 19013 2157 1 4 . 1 1 87 87 ARG CA C 87 57.441 57.441 57.066 0.375 19013 2158 1 4 . 1 1 87 87 ARG CB C 87 28.941 28.941 28.815 0.126 19013 2159 1 4 . 1 1 88 88 ALA N N 88 123.868 123.868 120.313 3.555 19013 2160 1 4 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.445 -0.902 19013 2161 1 4 . 1 1 88 88 ALA C C 88 179.517 179.517 178.381 1.136 19013 2162 1 4 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.165 2.249 19013 2163 1 4 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.514 -0.371 19013 2164 1 4 . 1 1 89 89 LEU N N 89 114.573 114.573 120.024 -5.451 19013 2165 1 4 . 1 1 89 89 LEU HA H 89 3.924 3.924 3.961 -0.037 19013 2166 1 4 . 1 1 89 89 LEU C C 89 180.088 180.088 176.678 3.410 19013 2167 1 4 . 1 1 89 89 LEU CA C 89 57.417 57.417 57.130 0.287 19013 2168 1 4 . 1 1 89 89 LEU CB C 89 41.886 41.886 42.230 -0.344 19013 2169 1 4 . 1 1 90 90 ARG N N 90 116.735 116.735 114.278 2.457 19013 2170 1 4 . 1 1 90 90 ARG HA H 90 4.132 4.132 3.935 0.197 19013 2171 1 4 . 1 1 90 90 ARG C C 90 177.429 177.429 176.237 1.192 19013 2172 1 4 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.643 1.156 19013 2173 1 4 . 1 1 90 90 ARG CB C 90 29.834 29.834 27.063 2.771 19013 2174 1 4 . 1 1 91 91 GLU N N 91 115.787 115.787 120.632 -4.845 19013 2175 1 4 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.357 -0.210 19013 2176 1 4 . 1 1 91 91 GLU C C 91 176.303 176.303 175.435 0.868 19013 2177 1 4 . 1 1 91 91 GLU CA C 91 55.336 55.336 56.528 -1.192 19013 2178 1 4 . 1 1 91 91 GLU CB C 91 29.705 29.705 28.896 0.809 19013 2179 1 4 . 1 1 92 92 HIS N N 92 118.997 118.997 123.270 -4.273 19013 2180 1 4 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.556 -0.285 19013 2181 1 4 . 1 1 92 92 HIS C C 92 176.823 176.823 174.996 1.827 19013 2182 1 4 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.487 2.966 19013 2183 1 4 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.425 0.387 19013 2184 1 4 . 1 1 93 93 GLY N N 93 116.944 116.944 116.518 0.426 19013 2185 1 4 . 1 1 93 93 GLY C C 93 174.512 174.512 174.590 -0.078 19013 2186 1 4 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.759 -0.783 19013 2187 1 4 . 1 1 94 94 THR N N 94 117.838 117.838 117.210 0.628 19013 2188 1 4 . 1 1 94 94 THR HA H 94 4.059 4.059 4.485 -0.426 19013 2189 1 4 . 1 1 94 94 THR C C 94 172.656 172.656 173.084 -0.428 19013 2190 1 4 . 1 1 94 94 THR CA C 94 63.330 63.330 62.602 0.728 19013 2191 1 4 . 1 1 94 94 THR CB C 94 69.936 69.936 68.146 1.790 19013 2192 1 4 . 1 1 95 95 ILE N N 95 124.155 124.155 125.973 -1.818 19013 2193 1 4 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.381 0.007 19013 2194 1 4 . 1 1 95 95 ILE C C 95 175.534 175.534 174.810 0.724 19013 2195 1 4 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.936 -1.159 19013 2196 1 4 . 1 1 95 95 ILE CB C 95 35.990 35.990 38.676 -2.686 19013 2197 1 4 . 1 1 96 96 TYR N N 96 130.370 130.370 128.438 1.932 19013 2198 1 4 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.728 -0.165 19013 2199 1 4 . 1 1 96 96 TYR C C 96 174.539 174.539 176.183 -1.644 19013 2200 1 4 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.050 -0.594 19013 2201 1 4 . 1 1 96 96 TYR CB C 96 41.727 41.727 40.309 1.418 19013 2202 1 4 . 1 1 97 97 CYS N N 97 123.936 123.936 125.783 -1.847 19013 2203 1 4 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.867 -0.209 19013 2204 1 4 . 1 1 97 97 CYS C C 97 175.798 175.798 174.884 0.914 19013 2205 1 4 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.249 0.571 19013 2206 1 4 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.924 -1.445 19013 2207 1 4 . 1 1 98 98 GLY N N 98 103.268 103.268 107.381 -4.113 19013 2208 1 4 . 1 1 98 98 GLY C C 98 173.270 173.270 172.805 0.465 19013 2209 1 4 . 1 1 98 98 GLY CA C 98 45.312 45.312 45.514 -0.202 19013 2210 1 4 . 1 1 99 99 ALA N N 99 123.511 123.511 123.566 -0.055 19013 2211 1 4 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.778 -0.083 19013 2212 1 4 . 1 1 99 99 ALA C C 99 175.215 175.215 175.692 -0.477 19013 2213 1 4 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.987 -0.209 19013 2214 1 4 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.584 0.171 19013 2215 1 4 . 1 1 100 100 ALA N N 100 124.957 124.957 123.961 0.996 19013 2216 1 4 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.120 -0.487 19013 2217 1 4 . 1 1 100 100 ALA C C 100 177.477 177.477 177.893 -0.416 19013 2218 1 4 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.267 0.255 19013 2219 1 4 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.391 -1.222 19013 2220 1 4 . 1 1 101 101 ILE N N 101 121.598 121.598 118.458 3.140 19013 2221 1 4 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.705 -0.250 19013 2222 1 4 . 1 1 101 101 ILE C C 101 175.956 175.956 175.769 0.187 19013 2223 1 4 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.919 0.045 19013 2224 1 4 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.161 1.674 19013 2225 1 4 . 1 1 102 102 GLY N N 102 113.717 113.717 114.225 -0.508 19013 2226 1 4 . 1 1 102 102 GLY C C 102 172.857 172.857 172.413 0.444 19013 2227 1 4 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.641 -1.197 19013 2228 1 4 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.639 -0.105 19013 2229 1 4 . 1 1 103 103 CYS C C 103 172.624 172.624 174.470 -1.846 19013 2230 1 4 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.192 1.511 19013 2231 1 4 . 1 1 103 103 CYS CB C 103 27.343 27.343 30.107 -2.764 19013 2232 1 4 . 1 1 104 104 VAL N N 104 118.519 118.519 119.812 -1.293 19013 2233 1 4 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.788 0.117 19013 2234 1 4 . 1 1 104 104 VAL C C 104 172.705 172.705 173.431 -0.726 19013 2235 1 4 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.113 -0.700 19013 2236 1 4 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.526 -0.423 19013 2237 1 4 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.740 -0.125 19013 2238 1 4 . 1 1 105 105 PRO C C 105 176.557 176.557 176.172 0.385 19013 2239 1 4 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.045 0.509 19013 2240 1 4 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.235 0.431 19013 2241 1 4 . 1 1 106 106 TYR N N 106 121.923 121.923 125.399 -3.476 19013 2242 1 4 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.221 -0.391 19013 2243 1 4 . 1 1 106 106 TYR C C 106 174.643 174.643 174.798 -0.155 19013 2244 1 4 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.378 0.640 19013 2245 1 4 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.955 0.432 19013 2246 1 4 . 1 1 107 107 LYS N N 107 124.087 124.087 124.820 -0.733 19013 2247 1 4 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.412 -0.231 19013 2248 1 4 . 1 1 107 107 LYS C C 107 176.443 176.443 175.801 0.642 19013 2249 1 4 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.023 0.754 19013 2250 1 4 . 1 1 107 107 LYS CB C 107 35.925 35.925 36.447 -0.522 19013 2251 1 4 . 1 1 108 108 HIS N N 108 124.171 124.171 121.886 2.285 19013 2252 1 4 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.121 -0.161 19013 2253 1 4 . 1 1 108 108 HIS C C 108 176.998 176.998 177.478 -0.480 19013 2254 1 4 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.787 -1.188 19013 2255 1 4 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.657 -1.109 19013 2256 1 4 . 1 1 109 109 GLU N N 109 118.941 118.941 120.787 -1.846 19013 2257 1 4 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.068 -0.155 19013 2258 1 4 . 1 1 109 109 GLU C C 109 177.738 177.738 177.757 -0.019 19013 2259 1 4 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.155 0.182 19013 2260 1 4 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.549 0.170 19013 2261 1 4 . 1 1 110 110 LEU N N 110 118.555 118.555 120.480 -1.925 19013 2262 1 4 . 1 1 110 110 LEU HA H 110 4.001 4.001 4.104 -0.103 19013 2263 1 4 . 1 1 110 110 LEU C C 110 177.872 177.872 178.429 -0.557 19013 2264 1 4 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.500 -1.127 19013 2265 1 4 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.159 0.796 19013 2266 1 4 . 1 1 111 111 ILE N N 111 117.129 117.129 118.126 -0.997 19013 2267 1 4 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.213 -0.243 19013 2268 1 4 . 1 1 111 111 ILE C C 111 178.773 178.773 178.657 0.116 19013 2269 1 4 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.834 -1.096 19013 2270 1 4 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.117 -0.699 19013 2271 1 4 . 1 1 112 112 SER N N 112 116.165 116.165 117.042 -0.877 19013 2272 1 4 . 1 1 112 112 SER HA H 112 4.000 4.000 4.129 -0.129 19013 2273 1 4 . 1 1 112 112 SER C C 112 176.313 176.313 176.449 -0.136 19013 2274 1 4 . 1 1 112 112 SER CA C 112 61.433 61.433 61.717 -0.284 19013 2275 1 4 . 1 1 112 112 SER CB C 112 62.188 62.188 63.079 -0.891 19013 2276 1 4 . 1 1 113 113 GLU N N 113 120.732 120.732 121.347 -0.615 19013 2277 1 4 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.923 0.063 19013 2278 1 4 . 1 1 113 113 GLU C C 113 178.799 178.799 179.194 -0.395 19013 2279 1 4 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.948 -0.427 19013 2280 1 4 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.507 -0.125 19013 2281 1 4 . 1 1 114 114 LEU N N 114 119.452 119.452 119.766 -0.314 19013 2282 1 4 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.918 -0.195 19013 2283 1 4 . 1 1 114 114 LEU C C 114 179.184 179.184 179.078 0.106 19013 2284 1 4 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.429 -0.746 19013 2285 1 4 . 1 1 114 114 LEU CB C 114 39.987 39.987 40.790 -0.803 19013 2286 1 4 . 1 1 115 115 SER N N 115 112.708 112.708 112.761 -0.053 19013 2287 1 4 . 1 1 115 115 SER HA H 115 4.615 4.615 4.432 0.183 19013 2288 1 4 . 1 1 115 115 SER C C 115 174.994 174.994 175.900 -0.906 19013 2289 1 4 . 1 1 115 115 SER CA C 115 59.706 59.706 60.337 -0.631 19013 2290 1 4 . 1 1 115 115 SER CB C 115 63.512 63.512 63.094 0.418 19013 2291 1 4 . 1 1 116 116 ARG N N 116 121.600 121.600 120.180 1.420 19013 2292 1 4 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.178 0.063 19013 2293 1 4 . 1 1 116 116 ARG C C 116 176.893 176.893 177.190 -0.297 19013 2294 1 4 . 1 1 116 116 ARG CA C 116 57.022 57.022 58.389 -1.367 19013 2295 1 4 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.823 0.340 19013 2296 1 4 . 1 1 117 117 GLU N N 117 120.450 120.450 118.333 2.117 19013 2297 1 4 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.364 -0.124 19013 2298 1 4 . 1 1 117 117 GLU C C 117 177.260 177.260 176.137 1.123 19013 2299 1 4 . 1 1 117 117 GLU CA C 117 57.042 57.042 55.398 1.644 19013 2300 1 4 . 1 1 117 117 GLU CB C 117 29.763 29.763 30.975 -1.212 19013 2301 1 4 . 1 1 118 118 GLY N N 118 108.905 108.905 106.708 2.197 19013 2302 1 4 . 1 1 118 118 GLY C C 118 174.225 174.225 174.626 -0.401 19013 2303 1 4 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.147 0.236 19013 2304 1 4 . 1 1 119 119 HIS N N 119 117.625 117.625 122.746 -5.121 19013 2305 1 4 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.876 -0.217 19013 2306 1 4 . 1 1 119 119 HIS C C 119 174.439 174.439 174.645 -0.206 19013 2307 1 4 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.155 0.258 19013 2308 1 4 . 1 1 119 119 HIS CB C 119 28.904 28.904 28.850 0.054 19013 2309 1 4 . 1 1 120 120 HIS N N 120 119.015 119.015 127.952 -8.937 19013 2310 1 4 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.547 0.125 19013 2311 1 4 . 1 1 120 120 HIS C C 120 174.259 174.259 174.023 0.236 19013 2312 1 4 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.925 -0.604 19013 2313 1 4 . 1 1 120 120 HIS CB C 120 29.098 29.098 27.997 1.101 19013 2314 1 4 . 1 1 121 121 HIS N N 121 119.872 119.872 117.166 2.706 19013 2315 1 4 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.519 0.161 19013 2316 1 4 . 1 1 121 121 HIS C C 121 174.245 174.245 173.797 0.448 19013 2317 1 4 . 1 1 121 121 HIS CA C 121 55.389 55.389 54.666 0.723 19013 2318 1 4 . 1 1 121 121 HIS CB C 121 29.259 29.259 32.764 -3.505 19013 2319 1 4 . 1 1 122 122 HIS N N 122 120.597 120.597 121.791 -1.194 19013 2320 1 4 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.672 0.015 19013 2321 1 4 . 1 1 122 122 HIS C C 122 174.101 174.101 175.052 -0.951 19013 2322 1 4 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.761 -0.375 19013 2323 1 4 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.224 -0.875 19013 2324 1 4 . 1 1 123 123 HIS N N 123 120.680 120.680 124.827 -4.147 19013 2325 1 4 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.577 0.079 19013 2326 1 4 . 1 1 123 123 HIS C C 123 173.591 173.591 175.412 -1.821 19013 2327 1 4 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.353 -0.790 19013 2328 1 4 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.489 -0.034 19013 2329 1 5 . 1 1 2 2 SER HA H 2 4.167 4.167 4.804 -0.637 19013 2330 1 5 . 1 1 2 2 SER C C 2 170.960 170.960 173.633 -2.673 19013 2331 1 5 . 1 1 2 2 SER CA C 2 57.139 57.139 57.641 -0.502 19013 2332 1 5 . 1 1 2 2 SER CB C 2 63.027 63.027 64.649 -1.622 19013 2333 1 5 . 1 1 3 3 LEU N N 3 123.102 123.102 123.025 0.077 19013 2334 1 5 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.457 -0.042 19013 2335 1 5 . 1 1 3 3 LEU C C 3 177.886 177.886 177.839 0.047 19013 2336 1 5 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.614 0.011 19013 2337 1 5 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.160 0.174 19013 2338 1 5 . 1 1 4 4 GLY N N 4 110.546 110.546 111.804 -1.258 19013 2339 1 5 . 1 1 4 4 GLY C C 4 174.473 174.473 173.685 0.788 19013 2340 1 5 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.531 0.739 19013 2341 1 5 . 1 1 5 5 SER N N 5 115.839 115.839 118.393 -2.554 19013 2342 1 5 . 1 1 5 5 SER HA H 5 4.472 4.472 4.590 -0.118 19013 2343 1 5 . 1 1 5 5 SER C C 5 175.085 175.085 174.631 0.454 19013 2344 1 5 . 1 1 5 5 SER CA C 5 58.419 58.419 57.434 0.985 19013 2345 1 5 . 1 1 5 5 SER CB C 5 63.648 63.648 65.520 -1.872 19013 2346 1 5 . 1 1 6 6 GLU N N 6 122.855 122.855 123.687 -0.832 19013 2347 1 5 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.557 -0.217 19013 2348 1 5 . 1 1 6 6 GLU C C 6 176.767 176.767 176.671 0.096 19013 2349 1 5 . 1 1 6 6 GLU CA C 6 57.020 57.020 55.776 1.244 19013 2350 1 5 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.049 1.736 19013 2351 1 5 . 1 1 7 7 SER N N 7 116.046 116.046 115.214 0.832 19013 2352 1 5 . 1 1 7 7 SER HA H 7 4.444 4.444 4.348 0.096 19013 2353 1 5 . 1 1 7 7 SER C C 7 174.946 174.946 174.786 0.160 19013 2354 1 5 . 1 1 7 7 SER CA C 7 58.587 58.587 59.565 -0.978 19013 2355 1 5 . 1 1 7 7 SER CB C 7 63.645 63.645 63.584 0.061 19013 2356 1 5 . 1 1 8 8 GLU N N 8 122.758 122.758 118.861 3.897 19013 2357 1 5 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.491 -0.119 19013 2358 1 5 . 1 1 8 8 GLU C C 8 176.929 176.929 177.303 -0.374 19013 2359 1 5 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.702 0.200 19013 2360 1 5 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.166 0.671 19013 2361 1 5 . 1 1 9 9 THR N N 9 113.221 113.221 112.873 0.348 19013 2362 1 5 . 1 1 9 9 THR HA H 9 4.295 4.295 4.188 0.107 19013 2363 1 5 . 1 1 9 9 THR C C 9 175.371 175.371 175.940 -0.569 19013 2364 1 5 . 1 1 9 9 THR CA C 9 62.279 62.279 64.879 -2.600 19013 2365 1 5 . 1 1 9 9 THR CB C 9 69.828 69.828 69.456 0.372 19013 2366 1 5 . 1 1 10 10 GLY N N 10 110.774 110.774 111.623 -0.849 19013 2367 1 5 . 1 1 10 10 GLY C C 10 173.283 173.283 174.104 -0.821 19013 2368 1 5 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.686 -0.955 19013 2369 1 5 . 1 1 11 11 ASN N N 11 116.215 116.215 123.696 -7.481 19013 2370 1 5 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.538 -0.271 19013 2371 1 5 . 1 1 11 11 ASN C C 11 174.352 174.352 174.167 0.185 19013 2372 1 5 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.063 0.404 19013 2373 1 5 . 1 1 11 11 ASN CB C 11 39.483 39.483 39.383 0.100 19013 2374 1 5 . 1 1 12 12 ALA N N 12 121.979 121.979 123.305 -1.326 19013 2375 1 5 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.218 0.767 19013 2376 1 5 . 1 1 12 12 ALA C C 12 177.325 177.325 176.375 0.950 19013 2377 1 5 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.189 -0.652 19013 2378 1 5 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.378 1.452 19013 2379 1 5 . 1 1 13 13 VAL N N 13 116.191 116.191 115.971 0.220 19013 2380 1 5 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.241 0.085 19013 2381 1 5 . 1 1 13 13 VAL C C 13 175.275 175.275 174.411 0.864 19013 2382 1 5 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.313 -0.551 19013 2383 1 5 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.654 -0.493 19013 2384 1 5 . 1 1 14 14 VAL N N 14 119.334 119.334 120.405 -1.071 19013 2385 1 5 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.985 0.253 19013 2386 1 5 . 1 1 14 14 VAL C C 14 174.716 174.716 175.335 -0.619 19013 2387 1 5 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.757 0.539 19013 2388 1 5 . 1 1 14 14 VAL CB C 14 34.380 34.380 34.158 0.222 19013 2389 1 5 . 1 1 15 15 VAL N N 15 127.812 127.812 125.932 1.880 19013 2390 1 5 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.834 0.474 19013 2391 1 5 . 1 1 15 15 VAL C C 15 176.256 176.256 175.445 0.811 19013 2392 1 5 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.505 -0.350 19013 2393 1 5 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.672 0.629 19013 2394 1 5 . 1 1 16 16 PHE N N 16 122.243 122.243 119.997 2.246 19013 2395 1 5 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.437 0.482 19013 2396 1 5 . 1 1 16 16 PHE C C 16 174.623 174.623 174.648 -0.025 19013 2397 1 5 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.548 0.587 19013 2398 1 5 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.140 -0.047 19013 2399 1 5 . 1 1 17 17 GLY N N 17 106.894 106.894 108.944 -2.050 19013 2400 1 5 . 1 1 17 17 GLY C C 17 174.023 174.023 173.076 0.947 19013 2401 1 5 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.298 -0.337 19013 2402 1 5 . 1 1 18 18 TYR N N 18 115.205 115.205 115.961 -0.756 19013 2403 1 5 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.988 -0.122 19013 2404 1 5 . 1 1 18 18 TYR C C 18 173.847 173.847 172.995 0.852 19013 2405 1 5 . 1 1 18 18 TYR CA C 18 53.165 53.165 56.055 -2.890 19013 2406 1 5 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.479 0.352 19013 2407 1 5 . 1 1 19 19 ARG N N 19 116.814 116.814 118.759 -1.945 19013 2408 1 5 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.735 -0.280 19013 2409 1 5 . 1 1 19 19 ARG C C 19 177.198 177.198 175.257 1.941 19013 2410 1 5 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.281 0.647 19013 2411 1 5 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.386 -2.665 19013 2412 1 5 . 1 1 20 20 GLU N N 20 125.261 125.261 122.169 3.092 19013 2413 1 5 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.169 -0.112 19013 2414 1 5 . 1 1 20 20 GLU C C 20 180.643 180.643 175.504 5.139 19013 2415 1 5 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.565 1.964 19013 2416 1 5 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.378 1.485 19013 2417 1 5 . 1 1 21 21 ALA N N 21 119.760 119.760 127.047 -7.287 19013 2418 1 5 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.281 0.073 19013 2419 1 5 . 1 1 21 21 ALA C C 21 179.291 179.291 177.475 1.816 19013 2420 1 5 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.899 1.781 19013 2421 1 5 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.011 -0.601 19013 2422 1 5 . 1 1 22 22 ILE N N 22 109.751 109.751 116.469 -6.718 19013 2423 1 5 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.453 0.722 19013 2424 1 5 . 1 1 22 22 ILE C C 22 175.636 175.636 176.744 -1.108 19013 2425 1 5 . 1 1 22 22 ILE CA C 22 60.231 60.231 61.124 -0.893 19013 2426 1 5 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.794 0.651 19013 2427 1 5 . 1 1 23 23 THR N N 23 118.763 118.763 119.353 -0.590 19013 2428 1 5 . 1 1 23 23 THR HA H 23 3.375 3.375 3.897 -0.522 19013 2429 1 5 . 1 1 23 23 THR C C 23 175.159 175.159 176.434 -1.275 19013 2430 1 5 . 1 1 23 23 THR CA C 23 68.267 68.267 66.800 1.467 19013 2431 1 5 . 1 1 23 23 THR CB C 23 69.564 69.564 68.452 1.112 19013 2432 1 5 . 1 1 24 24 LYS N N 24 118.723 118.723 119.878 -1.155 19013 2433 1 5 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.048 -0.385 19013 2434 1 5 . 1 1 24 24 LYS C C 24 178.421 178.421 179.518 -1.097 19013 2435 1 5 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.366 1.688 19013 2436 1 5 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.476 0.305 19013 2437 1 5 . 1 1 25 25 GLN N N 25 118.276 118.276 118.679 -0.403 19013 2438 1 5 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.181 -0.138 19013 2439 1 5 . 1 1 25 25 GLN C C 25 179.248 179.248 179.011 0.237 19013 2440 1 5 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.782 0.897 19013 2441 1 5 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.766 -0.521 19013 2442 1 5 . 1 1 26 26 ILE N N 26 122.000 122.000 120.814 1.186 19013 2443 1 5 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.690 0.079 19013 2444 1 5 . 1 1 26 26 ILE C C 26 177.797 177.797 177.995 -0.198 19013 2445 1 5 . 1 1 26 26 ILE CA C 26 62.178 62.178 65.035 -2.857 19013 2446 1 5 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.988 -2.397 19013 2447 1 5 . 1 1 27 27 LEU N N 27 119.685 119.685 122.428 -2.743 19013 2448 1 5 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.021 -0.103 19013 2449 1 5 . 1 1 27 27 LEU C C 27 178.173 178.173 178.613 -0.440 19013 2450 1 5 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.201 0.106 19013 2451 1 5 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.232 -0.145 19013 2452 1 5 . 1 1 28 28 ALA N N 28 118.927 118.927 119.668 -0.741 19013 2453 1 5 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.087 -0.225 19013 2454 1 5 . 1 1 28 28 ALA C C 28 179.693 179.693 178.674 1.019 19013 2455 1 5 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.604 0.298 19013 2456 1 5 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.368 -0.252 19013 2457 1 5 . 1 1 29 29 TYR N N 29 119.687 119.687 118.226 1.461 19013 2458 1 5 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.405 -0.483 19013 2459 1 5 . 1 1 29 29 TYR C C 29 178.234 178.234 177.119 1.115 19013 2460 1 5 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.036 0.100 19013 2461 1 5 . 1 1 29 29 TYR CB C 29 38.376 38.376 40.139 -1.763 19013 2462 1 5 . 1 1 30 30 PHE N N 30 115.353 115.353 118.086 -2.733 19013 2463 1 5 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.425 -0.496 19013 2464 1 5 . 1 1 30 30 PHE C C 30 180.031 180.031 176.981 3.050 19013 2465 1 5 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.667 2.148 19013 2466 1 5 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.745 -0.794 19013 2467 1 5 . 1 1 31 31 ALA N N 31 125.929 125.929 122.244 3.685 19013 2468 1 5 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.197 0.265 19013 2469 1 5 . 1 1 31 31 ALA C C 31 178.235 178.235 177.758 0.477 19013 2470 1 5 . 1 1 31 31 ALA CA C 31 53.794 53.794 53.707 0.087 19013 2471 1 5 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.081 -0.599 19013 2472 1 5 . 1 1 32 32 GLN N N 32 113.541 113.541 116.086 -2.545 19013 2473 1 5 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.843 0.113 19013 2474 1 5 . 1 1 32 32 GLN C C 32 177.465 177.465 176.876 0.589 19013 2475 1 5 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.839 -0.880 19013 2476 1 5 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.720 0.365 19013 2477 1 5 . 1 1 33 33 PHE N N 33 114.638 114.638 115.233 -0.595 19013 2478 1 5 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.756 -0.106 19013 2479 1 5 . 1 1 33 33 PHE C C 33 175.848 175.848 175.508 0.340 19013 2480 1 5 . 1 1 33 33 PHE CA C 33 57.066 57.066 58.949 -1.883 19013 2481 1 5 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.854 -2.924 19013 2482 1 5 . 1 1 34 34 GLY N N 34 106.452 106.452 105.997 0.455 19013 2483 1 5 . 1 1 34 34 GLY C C 34 170.428 170.428 172.138 -1.710 19013 2484 1 5 . 1 1 34 34 GLY CA C 34 44.564 44.564 43.580 0.984 19013 2485 1 5 . 1 1 35 35 GLU N N 35 118.228 118.228 119.304 -1.076 19013 2486 1 5 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.517 -0.351 19013 2487 1 5 . 1 1 35 35 GLU C C 35 175.939 175.939 174.725 1.214 19013 2488 1 5 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.946 1.439 19013 2489 1 5 . 1 1 35 35 GLU CB C 35 30.115 30.115 31.092 -0.977 19013 2490 1 5 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.215 0.349 19013 2491 1 5 . 1 1 36 36 ILE C C 36 176.530 176.530 175.211 1.319 19013 2492 1 5 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.074 -0.227 19013 2493 1 5 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.844 1.750 19013 2494 1 5 . 1 1 37 37 LEU N N 37 125.464 125.464 123.097 2.367 19013 2495 1 5 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.852 0.237 19013 2496 1 5 . 1 1 37 37 LEU C C 37 178.470 178.470 176.758 1.712 19013 2497 1 5 . 1 1 37 37 LEU CA C 37 57.114 57.114 55.800 1.314 19013 2498 1 5 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.341 0.835 19013 2499 1 5 . 1 1 38 38 GLU N N 38 120.405 120.405 117.988 2.417 19013 2500 1 5 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.370 -0.191 19013 2501 1 5 . 1 1 38 38 GLU C C 38 175.620 175.620 175.716 -0.096 19013 2502 1 5 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.265 2.365 19013 2503 1 5 . 1 1 38 38 GLU CB C 38 29.551 29.551 31.213 -1.662 19013 2504 1 5 . 1 1 39 39 ASP N N 39 117.746 117.746 121.608 -3.862 19013 2505 1 5 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.656 -0.154 19013 2506 1 5 . 1 1 39 39 ASP C C 39 176.811 176.811 175.920 0.891 19013 2507 1 5 . 1 1 39 39 ASP CA C 39 53.870 53.870 53.728 0.142 19013 2508 1 5 . 1 1 39 39 ASP CB C 39 40.381 40.381 39.715 0.666 19013 2509 1 5 . 1 1 40 40 LEU N N 40 127.180 127.180 124.415 2.765 19013 2510 1 5 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.222 0.088 19013 2511 1 5 . 1 1 40 40 LEU C C 40 177.950 177.950 178.096 -0.146 19013 2512 1 5 . 1 1 40 40 LEU CA C 40 55.104 55.104 56.245 -1.141 19013 2513 1 5 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.560 -0.854 19013 2514 1 5 . 1 1 41 41 GLU N N 41 120.599 120.599 116.509 4.090 19013 2515 1 5 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.978 -0.048 19013 2516 1 5 . 1 1 41 41 GLU C C 41 178.353 178.353 175.835 2.518 19013 2517 1 5 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.411 0.827 19013 2518 1 5 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.580 0.811 19013 2519 1 5 . 1 1 42 42 SER N N 42 114.356 114.356 117.165 -2.809 19013 2520 1 5 . 1 1 42 42 SER HA H 42 4.209 4.209 4.671 -0.462 19013 2521 1 5 . 1 1 42 42 SER C C 42 175.221 175.221 174.068 1.153 19013 2522 1 5 . 1 1 42 42 SER CA C 42 60.331 60.331 57.599 2.732 19013 2523 1 5 . 1 1 42 42 SER CB C 42 62.849 62.849 63.899 -1.050 19013 2524 1 5 . 1 1 43 43 GLU N N 43 119.711 119.711 124.276 -4.565 19013 2525 1 5 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.417 -0.131 19013 2526 1 5 . 1 1 43 43 GLU C C 43 176.893 176.893 175.864 1.029 19013 2527 1 5 . 1 1 43 43 GLU CA C 43 57.593 57.593 55.726 1.867 19013 2528 1 5 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.154 1.287 19013 2529 1 5 . 1 1 44 44 LEU N N 44 117.788 117.788 114.892 2.896 19013 2530 1 5 . 1 1 44 44 LEU HA H 44 4.354 4.354 3.911 0.443 19013 2531 1 5 . 1 1 44 44 LEU C C 44 177.944 177.944 176.996 0.948 19013 2532 1 5 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.145 -0.203 19013 2533 1 5 . 1 1 44 44 LEU CB C 44 42.375 42.375 39.922 2.453 19013 2534 1 5 . 1 1 45 45 GLY N N 45 108.349 108.349 108.552 -0.203 19013 2535 1 5 . 1 1 45 45 GLY C C 45 173.791 173.791 173.471 0.320 19013 2536 1 5 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.451 1.186 19013 2537 1 5 . 1 1 46 46 ASP N N 46 119.869 119.869 116.794 3.075 19013 2538 1 5 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.562 0.127 19013 2539 1 5 . 1 1 46 46 ASP C C 46 176.628 176.628 176.894 -0.266 19013 2540 1 5 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.808 -0.787 19013 2541 1 5 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.709 0.387 19013 2542 1 5 . 1 1 47 47 THR N N 47 113.962 113.962 115.072 -1.110 19013 2543 1 5 . 1 1 47 47 THR HA H 47 4.258 4.258 4.159 0.099 19013 2544 1 5 . 1 1 47 47 THR C C 47 175.277 175.277 175.961 -0.684 19013 2545 1 5 . 1 1 47 47 THR CA C 47 62.715 62.715 62.147 0.568 19013 2546 1 5 . 1 1 47 47 THR CB C 47 69.504 69.504 68.494 1.010 19013 2547 1 5 . 1 1 48 48 GLU N N 48 121.748 121.748 122.727 -0.979 19013 2548 1 5 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.006 0.229 19013 2549 1 5 . 1 1 48 48 GLU C C 48 177.221 177.221 178.218 -0.997 19013 2550 1 5 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.488 -1.983 19013 2551 1 5 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.266 0.452 19013 2552 1 5 . 1 1 49 49 THR N N 49 113.781 113.781 114.419 -0.638 19013 2553 1 5 . 1 1 49 49 THR HA H 49 4.160 4.160 3.831 0.329 19013 2554 1 5 . 1 1 49 49 THR C C 49 174.979 174.979 174.501 0.478 19013 2555 1 5 . 1 1 49 49 THR CA C 49 62.989 62.989 64.766 -1.778 19013 2556 1 5 . 1 1 49 49 THR CB C 49 69.198 69.198 68.591 0.607 19013 2557 1 5 . 1 1 50 50 MET N N 50 121.133 121.133 116.227 4.906 19013 2558 1 5 . 1 1 50 50 MET HA H 50 4.295 4.295 4.556 -0.261 19013 2559 1 5 . 1 1 50 50 MET C C 50 175.846 175.846 176.757 -0.911 19013 2560 1 5 . 1 1 50 50 MET CA C 50 55.981 55.981 54.130 1.851 19013 2561 1 5 . 1 1 50 50 MET CB C 50 32.549 32.549 32.449 0.100 19013 2562 1 5 . 1 1 51 51 ARG N N 51 120.641 120.641 119.842 0.799 19013 2563 1 5 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.127 0.211 19013 2564 1 5 . 1 1 51 51 ARG C C 51 176.213 176.213 176.541 -0.328 19013 2565 1 5 . 1 1 51 51 ARG CA C 51 55.879 55.879 58.115 -2.236 19013 2566 1 5 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.177 -0.570 19013 2567 1 5 . 1 1 52 52 THR N N 52 116.663 116.663 112.331 4.332 19013 2568 1 5 . 1 1 52 52 THR HA H 52 4.564 4.564 4.796 -0.232 19013 2569 1 5 . 1 1 52 52 THR C C 52 172.814 172.814 172.479 0.335 19013 2570 1 5 . 1 1 52 52 THR CA C 52 59.828 59.828 59.235 0.593 19013 2571 1 5 . 1 1 52 52 THR CB C 52 69.498 69.498 69.021 0.477 19013 2572 1 5 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.298 0.042 19013 2573 1 5 . 1 1 53 53 PRO C C 53 177.518 177.518 177.241 0.277 19013 2574 1 5 . 1 1 53 53 PRO CA C 53 63.990 63.990 62.984 1.006 19013 2575 1 5 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.832 0.085 19013 2576 1 5 . 1 1 54 54 GLY N N 54 108.804 108.804 112.358 -3.554 19013 2577 1 5 . 1 1 54 54 GLY C C 54 174.121 174.121 173.061 1.060 19013 2578 1 5 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.159 0.210 19013 2579 1 5 . 1 1 55 55 TYR N N 55 119.872 119.872 120.305 -0.433 19013 2580 1 5 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.274 0.086 19013 2581 1 5 . 1 1 55 55 TYR C C 55 175.550 175.550 175.703 -0.153 19013 2582 1 5 . 1 1 55 55 TYR CA C 55 58.508 58.508 55.743 2.764 19013 2583 1 5 . 1 1 55 55 TYR CB C 55 38.907 38.907 40.708 -1.801 19013 2584 1 5 . 1 1 56 56 PHE N N 56 121.248 121.248 119.657 1.591 19013 2585 1 5 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.643 -0.214 19013 2586 1 5 . 1 1 56 56 PHE C C 56 175.354 175.354 175.338 0.016 19013 2587 1 5 . 1 1 56 56 PHE CA C 56 58.138 58.138 58.962 -0.824 19013 2588 1 5 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.382 0.131 19013 2589 1 5 . 1 1 57 57 PHE N N 57 121.226 121.226 114.510 6.716 19013 2590 1 5 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.913 -0.440 19013 2591 1 5 . 1 1 57 57 PHE C C 57 175.182 175.182 174.614 0.568 19013 2592 1 5 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.344 1.482 19013 2593 1 5 . 1 1 57 57 PHE CB C 57 39.529 39.529 40.286 -0.757 19013 2594 1 5 . 1 1 58 58 GLN N N 58 121.160 121.160 120.486 0.674 19013 2595 1 5 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.162 0.070 19013 2596 1 5 . 1 1 58 58 GLN C C 58 175.287 175.287 175.117 0.170 19013 2597 1 5 . 1 1 58 58 GLN CA C 58 55.406 55.406 57.903 -2.497 19013 2598 1 5 . 1 1 58 58 GLN CB C 58 29.477 29.477 29.947 -0.470 19013 2599 1 5 . 1 1 59 59 GLN N N 59 120.923 120.923 117.307 3.616 19013 2600 1 5 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.707 -0.421 19013 2601 1 5 . 1 1 59 59 GLN C C 59 175.318 175.318 174.195 1.123 19013 2602 1 5 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.051 -0.754 19013 2603 1 5 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.868 -0.449 19013 2604 1 5 . 1 1 60 60 ALA N N 60 126.737 126.737 130.373 -3.636 19013 2605 1 5 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.922 -0.386 19013 2606 1 5 . 1 1 60 60 ALA C C 60 175.924 175.924 175.907 0.017 19013 2607 1 5 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.462 1.220 19013 2608 1 5 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.963 -0.790 19013 2609 1 5 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.296 0.108 19013 2610 1 5 . 1 1 61 61 PRO C C 61 176.902 176.902 177.226 -0.324 19013 2611 1 5 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.527 -0.978 19013 2612 1 5 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.129 -0.148 19013 2613 1 5 . 1 1 62 62 ASN N N 62 116.490 116.490 115.250 1.240 19013 2614 1 5 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.751 -0.151 19013 2615 1 5 . 1 1 62 62 ASN C C 62 174.942 174.942 174.850 0.092 19013 2616 1 5 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.030 0.269 19013 2617 1 5 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.240 -0.219 19013 2618 1 5 . 1 1 63 63 ARG N N 63 120.117 120.117 120.288 -0.171 19013 2619 1 5 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.479 -0.118 19013 2620 1 5 . 1 1 63 63 ARG C C 63 175.853 175.853 174.420 1.433 19013 2621 1 5 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.396 1.159 19013 2622 1 5 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.876 -1.790 19013 2623 1 5 . 1 1 64 64 ARG N N 64 123.061 123.061 124.310 -1.249 19013 2624 1 5 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.194 0.106 19013 2625 1 5 . 1 1 64 64 ARG C C 64 175.995 175.995 176.307 -0.312 19013 2626 1 5 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.933 -0.930 19013 2627 1 5 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.408 1.072 19013 2628 1 5 . 1 1 65 65 ARG N N 65 123.698 123.698 122.865 0.833 19013 2629 1 5 . 1 1 65 65 ARG HA H 65 4.576 4.576 3.636 0.940 19013 2630 1 5 . 1 1 65 65 ARG C C 65 176.085 176.085 177.015 -0.930 19013 2631 1 5 . 1 1 65 65 ARG CA C 65 55.448 55.448 58.219 -2.771 19013 2632 1 5 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.419 0.736 19013 2633 1 5 . 1 1 66 66 ILE N N 66 120.928 120.928 119.216 1.712 19013 2634 1 5 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.218 0.217 19013 2635 1 5 . 1 1 66 66 ILE C C 66 175.488 175.488 176.045 -0.557 19013 2636 1 5 . 1 1 66 66 ILE CA C 66 60.214 60.214 62.206 -1.992 19013 2637 1 5 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.914 1.240 19013 2638 1 5 . 1 1 67 67 SER N N 67 119.534 119.534 122.369 -2.835 19013 2639 1 5 . 1 1 67 67 SER HA H 67 4.431 4.431 4.418 0.013 19013 2640 1 5 . 1 1 67 67 SER C C 67 174.034 174.034 174.685 -0.651 19013 2641 1 5 . 1 1 67 67 SER CA C 67 58.599 58.599 60.637 -2.038 19013 2642 1 5 . 1 1 67 67 SER CB C 67 63.499 63.499 63.529 -0.030 19013 2643 1 5 . 1 1 68 68 ARG N N 68 124.936 124.936 121.740 3.196 19013 2644 1 5 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.432 0.143 19013 2645 1 5 . 1 1 68 68 ARG C C 68 175.967 175.967 175.291 0.676 19013 2646 1 5 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.739 -0.285 19013 2647 1 5 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.440 1.033 19013 2648 1 5 . 1 1 69 69 GLU N N 69 136.462 136.462 124.052 12.410 19013 2649 1 5 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.287 0.218 19013 2650 1 5 . 1 1 69 69 GLU C C 69 174.852 174.852 175.277 -0.425 19013 2651 1 5 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.180 0.014 19013 2652 1 5 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.594 -0.793 19013 2653 1 5 . 1 1 70 70 HIS N N 70 120.728 120.728 116.880 3.848 19013 2654 1 5 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.250 -0.514 19013 2655 1 5 . 1 1 70 70 HIS C C 70 171.455 171.455 174.106 -2.651 19013 2656 1 5 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.416 0.158 19013 2657 1 5 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.962 -0.846 19013 2658 1 5 . 1 1 71 71 GLY N N 71 108.698 108.698 108.472 0.226 19013 2659 1 5 . 1 1 71 71 GLY C C 71 174.611 174.611 173.993 0.618 19013 2660 1 5 . 1 1 71 71 GLY CA C 71 43.064 43.064 45.721 -2.657 19013 2661 1 5 . 1 1 72 72 ARG N N 72 123.350 123.350 114.317 9.033 19013 2662 1 5 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.433 -0.238 19013 2663 1 5 . 1 1 72 72 ARG C C 72 178.495 178.495 175.144 3.351 19013 2664 1 5 . 1 1 72 72 ARG CA C 72 60.196 60.196 56.896 3.300 19013 2665 1 5 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.508 0.315 19013 2666 1 5 . 1 1 73 73 THR N N 73 103.467 103.467 110.793 -7.326 19013 2667 1 5 . 1 1 73 73 THR HA H 73 4.196 4.196 4.564 -0.368 19013 2668 1 5 . 1 1 73 73 THR C C 73 171.300 171.300 172.726 -1.426 19013 2669 1 5 . 1 1 73 73 THR CA C 73 59.336 59.336 60.760 -1.424 19013 2670 1 5 . 1 1 73 73 THR CB C 73 69.837 69.837 69.599 0.238 19013 2671 1 5 . 1 1 74 74 TRP N N 74 112.582 112.582 119.907 -7.325 19013 2672 1 5 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.862 -0.155 19013 2673 1 5 . 1 1 74 74 TRP C C 74 176.667 176.667 174.102 2.565 19013 2674 1 5 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.791 0.091 19013 2675 1 5 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.270 0.590 19013 2676 1 5 . 1 1 75 75 THR N N 75 114.629 114.629 117.071 -2.442 19013 2677 1 5 . 1 1 75 75 THR HA H 75 4.594 4.594 4.882 -0.288 19013 2678 1 5 . 1 1 75 75 THR C C 75 170.237 170.237 173.553 -3.316 19013 2679 1 5 . 1 1 75 75 THR CA C 75 61.354 61.354 61.638 -0.284 19013 2680 1 5 . 1 1 75 75 THR CB C 75 69.887 69.887 72.715 -2.828 19013 2681 1 5 . 1 1 76 76 LYS N N 76 130.596 130.596 128.257 2.339 19013 2682 1 5 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.124 0.598 19013 2683 1 5 . 1 1 76 76 LYS C C 76 177.934 177.934 175.996 1.938 19013 2684 1 5 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.877 0.163 19013 2685 1 5 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.649 1.521 19013 2686 1 5 . 1 1 77 77 LEU N N 77 128.006 128.006 130.020 -2.014 19013 2687 1 5 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.577 -0.290 19013 2688 1 5 . 1 1 77 77 LEU C C 77 174.557 174.557 175.438 -0.881 19013 2689 1 5 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.707 1.591 19013 2690 1 5 . 1 1 77 77 LEU CB C 77 46.100 46.100 42.683 3.417 19013 2691 1 5 . 1 1 78 78 THR N N 78 123.666 123.666 122.049 1.617 19013 2692 1 5 . 1 1 78 78 THR HA H 78 4.435 4.435 4.538 -0.103 19013 2693 1 5 . 1 1 78 78 THR C C 78 174.067 174.067 174.342 -0.275 19013 2694 1 5 . 1 1 78 78 THR CA C 78 62.500 62.500 61.603 0.897 19013 2695 1 5 . 1 1 78 78 THR CB C 78 67.902 67.902 68.517 -0.615 19013 2696 1 5 . 1 1 79 79 TYR N N 79 125.290 125.290 127.355 -2.065 19013 2697 1 5 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.406 0.546 19013 2698 1 5 . 1 1 79 79 TYR C C 79 176.523 176.523 176.307 0.216 19013 2699 1 5 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.187 0.192 19013 2700 1 5 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.762 1.057 19013 2701 1 5 . 1 1 80 80 ALA N N 80 121.971 121.971 119.778 2.193 19013 2702 1 5 . 1 1 80 80 ALA HA H 80 4.060 4.060 4.070 -0.010 19013 2703 1 5 . 1 1 80 80 ALA C C 80 177.255 177.255 176.473 0.782 19013 2704 1 5 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.174 0.756 19013 2705 1 5 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.196 1.990 19013 2706 1 5 . 1 1 81 81 ASN N N 81 112.786 112.786 113.520 -0.734 19013 2707 1 5 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.892 0.205 19013 2708 1 5 . 1 1 81 81 ASN C C 81 175.438 175.438 175.326 0.112 19013 2709 1 5 . 1 1 81 81 ASN CA C 81 51.488 51.488 51.150 0.338 19013 2710 1 5 . 1 1 81 81 ASN CB C 81 41.430 41.430 41.368 0.062 19013 2711 1 5 . 1 1 82 82 HIS N N 82 123.560 123.560 117.049 6.511 19013 2712 1 5 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.415 -0.128 19013 2713 1 5 . 1 1 82 82 HIS C C 82 176.494 176.494 176.010 0.484 19013 2714 1 5 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.422 0.669 19013 2715 1 5 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.500 -0.937 19013 2716 1 5 . 1 1 83 83 SER N N 83 114.623 114.623 117.169 -2.546 19013 2717 1 5 . 1 1 83 83 SER HA H 83 4.095 4.095 3.857 0.238 19013 2718 1 5 . 1 1 83 83 SER C C 83 177.619 177.619 176.362 1.257 19013 2719 1 5 . 1 1 83 83 SER CA C 83 61.637 61.637 60.869 0.768 19013 2720 1 5 . 1 1 83 83 SER CB C 83 61.644 61.644 62.761 -1.117 19013 2721 1 5 . 1 1 84 84 SER N N 84 120.863 120.863 116.178 4.685 19013 2722 1 5 . 1 1 84 84 SER HA H 84 3.935 3.935 3.813 0.122 19013 2723 1 5 . 1 1 84 84 SER C C 84 173.466 173.466 175.434 -1.968 19013 2724 1 5 . 1 1 84 84 SER CA C 84 62.250 62.250 60.051 2.199 19013 2725 1 5 . 1 1 84 84 SER CB C 84 62.700 62.700 61.916 0.784 19013 2726 1 5 . 1 1 85 85 TYR N N 85 122.263 122.263 124.631 -2.368 19013 2727 1 5 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.090 -0.321 19013 2728 1 5 . 1 1 85 85 TYR C C 85 175.010 175.010 177.995 -2.985 19013 2729 1 5 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.738 -1.065 19013 2730 1 5 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.285 -0.660 19013 2731 1 5 . 1 1 86 86 LEU N N 86 117.366 117.366 119.180 -1.814 19013 2732 1 5 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.905 -0.368 19013 2733 1 5 . 1 1 86 86 LEU C C 86 179.942 179.942 179.189 0.753 19013 2734 1 5 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.908 -0.639 19013 2735 1 5 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.448 0.246 19013 2736 1 5 . 1 1 87 87 ARG N N 87 118.578 118.578 120.001 -1.423 19013 2737 1 5 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.025 -0.177 19013 2738 1 5 . 1 1 87 87 ARG C C 87 178.784 178.784 178.175 0.609 19013 2739 1 5 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.050 -0.609 19013 2740 1 5 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.466 -0.525 19013 2741 1 5 . 1 1 88 88 ALA N N 88 123.868 123.868 120.385 3.483 19013 2742 1 5 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.343 -0.800 19013 2743 1 5 . 1 1 88 88 ALA C C 88 179.517 179.517 178.214 1.303 19013 2744 1 5 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.407 2.007 19013 2745 1 5 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.539 -0.397 19013 2746 1 5 . 1 1 89 89 LEU N N 89 114.573 114.573 117.926 -3.353 19013 2747 1 5 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.373 -0.449 19013 2748 1 5 . 1 1 89 89 LEU C C 89 180.088 180.088 177.385 2.703 19013 2749 1 5 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.669 2.748 19013 2750 1 5 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.534 0.352 19013 2751 1 5 . 1 1 90 90 ARG N N 90 116.735 116.735 120.659 -3.924 19013 2752 1 5 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.064 0.068 19013 2753 1 5 . 1 1 90 90 ARG C C 90 177.429 177.429 175.542 1.887 19013 2754 1 5 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.704 1.095 19013 2755 1 5 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.572 -0.738 19013 2756 1 5 . 1 1 91 91 GLU N N 91 115.787 115.787 123.851 -8.064 19013 2757 1 5 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.564 -0.417 19013 2758 1 5 . 1 1 91 91 GLU C C 91 176.303 176.303 174.980 1.323 19013 2759 1 5 . 1 1 91 91 GLU CA C 91 55.336 55.336 56.855 -1.519 19013 2760 1 5 . 1 1 91 91 GLU CB C 91 29.705 29.705 29.917 -0.212 19013 2761 1 5 . 1 1 92 92 HIS N N 92 118.997 118.997 123.843 -4.846 19013 2762 1 5 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.796 -0.525 19013 2763 1 5 . 1 1 92 92 HIS C C 92 176.823 176.823 175.532 1.291 19013 2764 1 5 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.231 3.222 19013 2765 1 5 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.552 0.261 19013 2766 1 5 . 1 1 93 93 GLY N N 93 116.944 116.944 110.312 6.632 19013 2767 1 5 . 1 1 93 93 GLY C C 93 174.512 174.512 174.074 0.438 19013 2768 1 5 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.027 -0.051 19013 2769 1 5 . 1 1 94 94 THR N N 94 117.838 117.838 118.408 -0.570 19013 2770 1 5 . 1 1 94 94 THR HA H 94 4.059 4.059 4.303 -0.244 19013 2771 1 5 . 1 1 94 94 THR C C 94 172.656 172.656 173.711 -1.055 19013 2772 1 5 . 1 1 94 94 THR CA C 94 63.330 63.330 63.220 0.110 19013 2773 1 5 . 1 1 94 94 THR CB C 94 69.936 69.936 68.489 1.447 19013 2774 1 5 . 1 1 95 95 ILE N N 95 124.155 124.155 127.053 -2.898 19013 2775 1 5 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.128 0.260 19013 2776 1 5 . 1 1 95 95 ILE C C 95 175.534 175.534 175.280 0.254 19013 2777 1 5 . 1 1 95 95 ILE CA C 95 59.777 59.777 61.467 -1.690 19013 2778 1 5 . 1 1 95 95 ILE CB C 95 35.990 35.990 38.339 -2.349 19013 2779 1 5 . 1 1 96 96 TYR N N 96 130.370 130.370 128.657 1.713 19013 2780 1 5 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.767 -0.204 19013 2781 1 5 . 1 1 96 96 TYR C C 96 174.539 174.539 175.566 -1.027 19013 2782 1 5 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.232 -0.776 19013 2783 1 5 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.593 0.134 19013 2784 1 5 . 1 1 97 97 CYS N N 97 123.936 123.936 123.073 0.863 19013 2785 1 5 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.082 -0.424 19013 2786 1 5 . 1 1 97 97 CYS C C 97 175.798 175.798 174.954 0.844 19013 2787 1 5 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.075 0.746 19013 2788 1 5 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.155 -0.676 19013 2789 1 5 . 1 1 98 98 GLY N N 98 103.268 103.268 104.630 -1.362 19013 2790 1 5 . 1 1 98 98 GLY C C 98 173.270 173.270 173.064 0.206 19013 2791 1 5 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.885 0.427 19013 2792 1 5 . 1 1 99 99 ALA N N 99 123.511 123.511 123.633 -0.122 19013 2793 1 5 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.726 -0.031 19013 2794 1 5 . 1 1 99 99 ALA C C 99 175.215 175.215 175.651 -0.436 19013 2795 1 5 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.714 0.064 19013 2796 1 5 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.582 0.173 19013 2797 1 5 . 1 1 100 100 ALA N N 100 124.957 124.957 125.802 -0.845 19013 2798 1 5 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.100 -0.467 19013 2799 1 5 . 1 1 100 100 ALA C C 100 177.477 177.477 177.826 -0.349 19013 2800 1 5 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.590 -0.067 19013 2801 1 5 . 1 1 100 100 ALA CB C 100 18.169 18.169 18.420 -0.251 19013 2802 1 5 . 1 1 101 101 ILE N N 101 121.598 121.598 121.416 0.182 19013 2803 1 5 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.276 0.179 19013 2804 1 5 . 1 1 101 101 ILE C C 101 175.956 175.956 174.555 1.401 19013 2805 1 5 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.445 -0.481 19013 2806 1 5 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.946 0.889 19013 2807 1 5 . 1 1 102 102 GLY N N 102 113.717 113.717 107.065 6.652 19013 2808 1 5 . 1 1 102 102 GLY C C 102 172.857 172.857 171.364 1.493 19013 2809 1 5 . 1 1 102 102 GLY CA C 102 42.444 42.444 44.499 -2.055 19013 2810 1 5 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.655 -0.121 19013 2811 1 5 . 1 1 103 103 CYS C C 103 172.624 172.624 173.256 -0.632 19013 2812 1 5 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.040 1.663 19013 2813 1 5 . 1 1 103 103 CYS CB C 103 27.343 27.343 30.699 -3.356 19013 2814 1 5 . 1 1 104 104 VAL N N 104 118.519 118.519 122.820 -4.301 19013 2815 1 5 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.895 0.010 19013 2816 1 5 . 1 1 104 104 VAL C C 104 172.705 172.705 173.202 -0.497 19013 2817 1 5 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.890 -0.477 19013 2818 1 5 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.557 -0.454 19013 2819 1 5 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.470 0.145 19013 2820 1 5 . 1 1 105 105 PRO C C 105 176.557 176.557 175.909 0.648 19013 2821 1 5 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.316 0.238 19013 2822 1 5 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.267 0.400 19013 2823 1 5 . 1 1 106 106 TYR N N 106 121.923 121.923 124.221 -2.298 19013 2824 1 5 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.314 -0.484 19013 2825 1 5 . 1 1 106 106 TYR C C 106 174.643 174.643 175.268 -0.625 19013 2826 1 5 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.174 0.844 19013 2827 1 5 . 1 1 106 106 TYR CB C 106 39.387 39.387 39.127 0.260 19013 2828 1 5 . 1 1 107 107 LYS N N 107 124.087 124.087 127.484 -3.397 19013 2829 1 5 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.500 -0.319 19013 2830 1 5 . 1 1 107 107 LYS C C 107 176.443 176.443 175.963 0.480 19013 2831 1 5 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.251 0.526 19013 2832 1 5 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.784 1.141 19013 2833 1 5 . 1 1 108 108 HIS N N 108 124.171 124.171 124.621 -0.450 19013 2834 1 5 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.970 -0.010 19013 2835 1 5 . 1 1 108 108 HIS C C 108 176.998 176.998 176.767 0.231 19013 2836 1 5 . 1 1 108 108 HIS CA C 108 59.599 59.599 59.130 0.469 19013 2837 1 5 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.324 -0.776 19013 2838 1 5 . 1 1 109 109 GLU N N 109 118.941 118.941 120.152 -1.211 19013 2839 1 5 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.930 -0.017 19013 2840 1 5 . 1 1 109 109 GLU C C 109 177.738 177.738 178.827 -1.089 19013 2841 1 5 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.484 0.853 19013 2842 1 5 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.050 -0.332 19013 2843 1 5 . 1 1 110 110 LEU N N 110 118.555 118.555 120.916 -2.361 19013 2844 1 5 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.829 0.172 19013 2845 1 5 . 1 1 110 110 LEU C C 110 177.872 177.872 178.055 -0.183 19013 2846 1 5 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.459 -1.087 19013 2847 1 5 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.333 0.622 19013 2848 1 5 . 1 1 111 111 ILE N N 111 117.129 117.129 118.404 -1.275 19013 2849 1 5 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.022 -0.052 19013 2850 1 5 . 1 1 111 111 ILE C C 111 178.773 178.773 178.014 0.759 19013 2851 1 5 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.634 -0.896 19013 2852 1 5 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.037 -0.619 19013 2853 1 5 . 1 1 112 112 SER N N 112 116.165 116.165 116.021 0.144 19013 2854 1 5 . 1 1 112 112 SER HA H 112 4.000 4.000 4.049 -0.049 19013 2855 1 5 . 1 1 112 112 SER C C 112 176.313 176.313 176.800 -0.487 19013 2856 1 5 . 1 1 112 112 SER CA C 112 61.433 61.433 61.902 -0.469 19013 2857 1 5 . 1 1 112 112 SER CB C 112 62.188 62.188 62.768 -0.580 19013 2858 1 5 . 1 1 113 113 GLU N N 113 120.732 120.732 122.316 -1.584 19013 2859 1 5 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.027 -0.041 19013 2860 1 5 . 1 1 113 113 GLU C C 113 178.799 178.799 178.983 -0.184 19013 2861 1 5 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.794 -0.273 19013 2862 1 5 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.226 0.156 19013 2863 1 5 . 1 1 114 114 LEU N N 114 119.452 119.452 120.287 -0.835 19013 2864 1 5 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.780 -0.057 19013 2865 1 5 . 1 1 114 114 LEU C C 114 179.184 179.184 178.910 0.274 19013 2866 1 5 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.730 -1.046 19013 2867 1 5 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.426 -1.439 19013 2868 1 5 . 1 1 115 115 SER N N 115 112.708 112.708 114.304 -1.596 19013 2869 1 5 . 1 1 115 115 SER HA H 115 4.615 4.615 4.318 0.297 19013 2870 1 5 . 1 1 115 115 SER C C 115 174.994 174.994 177.063 -2.069 19013 2871 1 5 . 1 1 115 115 SER CA C 115 59.706 59.706 61.982 -2.276 19013 2872 1 5 . 1 1 115 115 SER CB C 115 63.512 63.512 62.928 0.584 19013 2873 1 5 . 1 1 116 116 ARG N N 116 121.600 121.600 119.705 1.895 19013 2874 1 5 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.098 0.143 19013 2875 1 5 . 1 1 116 116 ARG C C 116 176.893 176.893 178.018 -1.125 19013 2876 1 5 . 1 1 116 116 ARG CA C 116 57.022 57.022 59.008 -1.986 19013 2877 1 5 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.778 -0.615 19013 2878 1 5 . 1 1 117 117 GLU N N 117 120.450 120.450 114.713 5.737 19013 2879 1 5 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.461 -0.221 19013 2880 1 5 . 1 1 117 117 GLU C C 117 177.260 177.260 176.352 0.908 19013 2881 1 5 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.987 0.055 19013 2882 1 5 . 1 1 117 117 GLU CB C 117 29.763 29.763 32.685 -2.922 19013 2883 1 5 . 1 1 118 118 GLY N N 118 108.905 108.905 108.920 -0.015 19013 2884 1 5 . 1 1 118 118 GLY C C 118 174.225 174.225 174.164 0.061 19013 2885 1 5 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.880 -0.497 19013 2886 1 5 . 1 1 119 119 HIS N N 119 117.625 117.625 121.126 -3.501 19013 2887 1 5 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.611 0.048 19013 2888 1 5 . 1 1 119 119 HIS C C 119 174.439 174.439 173.950 0.489 19013 2889 1 5 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.279 0.134 19013 2890 1 5 . 1 1 119 119 HIS CB C 119 28.904 28.904 27.819 1.085 19013 2891 1 5 . 1 1 120 120 HIS N N 120 119.015 119.015 121.078 -2.063 19013 2892 1 5 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.887 -0.215 19013 2893 1 5 . 1 1 120 120 HIS C C 120 174.259 174.259 174.808 -0.549 19013 2894 1 5 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.655 -0.334 19013 2895 1 5 . 1 1 120 120 HIS CB C 120 29.098 29.098 31.695 -2.597 19013 2896 1 5 . 1 1 121 121 HIS N N 121 119.872 119.872 124.871 -4.999 19013 2897 1 5 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.334 0.346 19013 2898 1 5 . 1 1 121 121 HIS C C 121 174.245 174.245 176.465 -2.220 19013 2899 1 5 . 1 1 121 121 HIS CA C 121 55.389 55.389 57.730 -2.341 19013 2900 1 5 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.262 -2.003 19013 2901 1 5 . 1 1 122 122 HIS N N 122 120.597 120.597 117.711 2.886 19013 2902 1 5 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.185 0.502 19013 2903 1 5 . 1 1 122 122 HIS C C 122 174.101 174.101 175.055 -0.954 19013 2904 1 5 . 1 1 122 122 HIS CA C 122 55.386 55.386 58.777 -3.391 19013 2905 1 5 . 1 1 122 122 HIS CB C 122 29.349 29.349 28.790 0.559 19013 2906 1 5 . 1 1 123 123 HIS N N 123 120.680 120.680 116.989 3.691 19013 2907 1 5 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.506 0.150 19013 2908 1 5 . 1 1 123 123 HIS C C 123 173.591 173.591 175.561 -1.970 19013 2909 1 5 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.973 -0.410 19013 2910 1 5 . 1 1 123 123 HIS CB C 123 29.456 29.456 32.057 -2.601 19013 2911 1 6 . 1 1 2 2 SER HA H 2 4.167 4.167 4.872 -0.705 19013 2912 1 6 . 1 1 2 2 SER C C 2 170.960 170.960 174.383 -3.423 19013 2913 1 6 . 1 1 2 2 SER CA C 2 57.139 57.139 58.086 -0.947 19013 2914 1 6 . 1 1 2 2 SER CB C 2 63.027 63.027 64.308 -1.281 19013 2915 1 6 . 1 1 3 3 LEU N N 3 123.102 123.102 120.699 2.403 19013 2916 1 6 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.838 -0.423 19013 2917 1 6 . 1 1 3 3 LEU C C 3 177.886 177.886 177.172 0.714 19013 2918 1 6 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.107 0.518 19013 2919 1 6 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.326 0.008 19013 2920 1 6 . 1 1 4 4 GLY N N 4 110.546 110.546 108.653 1.893 19013 2921 1 6 . 1 1 4 4 GLY C C 4 174.473 174.473 173.709 0.764 19013 2922 1 6 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.694 0.576 19013 2923 1 6 . 1 1 5 5 SER N N 5 115.839 115.839 116.405 -0.566 19013 2924 1 6 . 1 1 5 5 SER HA H 5 4.472 4.472 4.745 -0.273 19013 2925 1 6 . 1 1 5 5 SER C C 5 175.085 175.085 174.629 0.456 19013 2926 1 6 . 1 1 5 5 SER CA C 5 58.419 58.419 57.571 0.848 19013 2927 1 6 . 1 1 5 5 SER CB C 5 63.648 63.648 65.311 -1.663 19013 2928 1 6 . 1 1 6 6 GLU N N 6 122.855 122.855 121.440 1.415 19013 2929 1 6 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.322 0.018 19013 2930 1 6 . 1 1 6 6 GLU C C 6 176.767 176.767 177.007 -0.240 19013 2931 1 6 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.798 0.222 19013 2932 1 6 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.759 0.026 19013 2933 1 6 . 1 1 7 7 SER N N 7 116.046 116.046 114.607 1.439 19013 2934 1 6 . 1 1 7 7 SER HA H 7 4.444 4.444 4.229 0.215 19013 2935 1 6 . 1 1 7 7 SER C C 7 174.946 174.946 174.189 0.757 19013 2936 1 6 . 1 1 7 7 SER CA C 7 58.587 58.587 59.568 -0.981 19013 2937 1 6 . 1 1 7 7 SER CB C 7 63.645 63.645 62.286 1.359 19013 2938 1 6 . 1 1 8 8 GLU N N 8 122.758 122.758 113.781 8.977 19013 2939 1 6 . 1 1 8 8 GLU HA H 8 4.372 4.372 3.914 0.458 19013 2940 1 6 . 1 1 8 8 GLU C C 8 176.929 176.929 175.806 1.123 19013 2941 1 6 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.900 -0.998 19013 2942 1 6 . 1 1 8 8 GLU CB C 8 29.837 29.837 28.797 1.040 19013 2943 1 6 . 1 1 9 9 THR N N 9 113.221 113.221 113.680 -0.459 19013 2944 1 6 . 1 1 9 9 THR HA H 9 4.295 4.295 4.277 0.018 19013 2945 1 6 . 1 1 9 9 THR C C 9 175.371 175.371 175.838 -0.467 19013 2946 1 6 . 1 1 9 9 THR CA C 9 62.279 62.279 66.236 -3.957 19013 2947 1 6 . 1 1 9 9 THR CB C 9 69.828 69.828 69.588 0.240 19013 2948 1 6 . 1 1 10 10 GLY N N 10 110.774 110.774 110.710 0.064 19013 2949 1 6 . 1 1 10 10 GLY C C 10 173.283 173.283 174.017 -0.734 19013 2950 1 6 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.911 -1.180 19013 2951 1 6 . 1 1 11 11 ASN N N 11 116.215 116.215 122.567 -6.352 19013 2952 1 6 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.623 -0.356 19013 2953 1 6 . 1 1 11 11 ASN C C 11 174.352 174.352 173.704 0.648 19013 2954 1 6 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.663 -0.196 19013 2955 1 6 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.694 0.789 19013 2956 1 6 . 1 1 12 12 ALA N N 12 121.979 121.979 122.381 -0.402 19013 2957 1 6 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.479 0.506 19013 2958 1 6 . 1 1 12 12 ALA C C 12 177.325 177.325 175.751 1.574 19013 2959 1 6 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.444 0.093 19013 2960 1 6 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.936 -0.106 19013 2961 1 6 . 1 1 13 13 VAL N N 13 116.191 116.191 115.314 0.877 19013 2962 1 6 . 1 1 13 13 VAL HA H 13 5.326 5.326 4.861 0.465 19013 2963 1 6 . 1 1 13 13 VAL C C 13 175.275 175.275 174.208 1.067 19013 2964 1 6 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.663 -0.901 19013 2965 1 6 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.354 -0.193 19013 2966 1 6 . 1 1 14 14 VAL N N 14 119.334 119.334 120.914 -1.580 19013 2967 1 6 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.849 0.389 19013 2968 1 6 . 1 1 14 14 VAL C C 14 174.716 174.716 175.213 -0.497 19013 2969 1 6 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.667 0.629 19013 2970 1 6 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.949 1.431 19013 2971 1 6 . 1 1 15 15 VAL N N 15 127.812 127.812 127.733 0.079 19013 2972 1 6 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.222 0.086 19013 2973 1 6 . 1 1 15 15 VAL C C 15 176.256 176.256 175.135 1.121 19013 2974 1 6 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.672 -0.517 19013 2975 1 6 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.581 -0.280 19013 2976 1 6 . 1 1 16 16 PHE N N 16 122.243 122.243 121.306 0.937 19013 2977 1 6 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.632 0.287 19013 2978 1 6 . 1 1 16 16 PHE C C 16 174.623 174.623 174.682 -0.059 19013 2979 1 6 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.342 0.793 19013 2980 1 6 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.284 -0.191 19013 2981 1 6 . 1 1 17 17 GLY N N 17 106.894 106.894 107.512 -0.618 19013 2982 1 6 . 1 1 17 17 GLY C C 17 174.023 174.023 173.365 0.658 19013 2983 1 6 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.402 -0.441 19013 2984 1 6 . 1 1 18 18 TYR N N 18 115.205 115.205 115.508 -0.303 19013 2985 1 6 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.030 -0.164 19013 2986 1 6 . 1 1 18 18 TYR C C 18 173.847 173.847 172.984 0.863 19013 2987 1 6 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.385 -2.220 19013 2988 1 6 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.924 -0.093 19013 2989 1 6 . 1 1 19 19 ARG N N 19 116.814 116.814 120.234 -3.420 19013 2990 1 6 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.682 -0.227 19013 2991 1 6 . 1 1 19 19 ARG C C 19 177.198 177.198 177.587 -0.389 19013 2992 1 6 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.412 0.516 19013 2993 1 6 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.483 -2.762 19013 2994 1 6 . 1 1 20 20 GLU N N 20 125.261 125.261 124.696 0.565 19013 2995 1 6 . 1 1 20 20 GLU HA H 20 4.057 4.057 3.902 0.155 19013 2996 1 6 . 1 1 20 20 GLU C C 20 180.643 180.643 177.614 3.029 19013 2997 1 6 . 1 1 20 20 GLU CA C 20 59.529 59.529 59.629 -0.100 19013 2998 1 6 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.485 0.378 19013 2999 1 6 . 1 1 21 21 ALA N N 21 119.760 119.760 117.692 2.068 19013 3000 1 6 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.189 0.165 19013 3001 1 6 . 1 1 21 21 ALA C C 21 179.291 179.291 178.429 0.862 19013 3002 1 6 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.556 1.124 19013 3003 1 6 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.521 0.889 19013 3004 1 6 . 1 1 22 22 ILE N N 22 109.751 109.751 112.630 -2.879 19013 3005 1 6 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.148 1.027 19013 3006 1 6 . 1 1 22 22 ILE C C 22 175.636 175.636 176.313 -0.677 19013 3007 1 6 . 1 1 22 22 ILE CA C 22 60.231 60.231 61.672 -1.441 19013 3008 1 6 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.587 1.858 19013 3009 1 6 . 1 1 23 23 THR N N 23 118.763 118.763 118.959 -0.196 19013 3010 1 6 . 1 1 23 23 THR HA H 23 3.375 3.375 3.836 -0.461 19013 3011 1 6 . 1 1 23 23 THR C C 23 175.159 175.159 176.362 -1.203 19013 3012 1 6 . 1 1 23 23 THR CA C 23 68.267 68.267 66.838 1.429 19013 3013 1 6 . 1 1 23 23 THR CB C 23 69.564 69.564 68.402 1.162 19013 3014 1 6 . 1 1 24 24 LYS N N 24 118.723 118.723 117.621 1.102 19013 3015 1 6 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.172 -0.509 19013 3016 1 6 . 1 1 24 24 LYS C C 24 178.421 178.421 177.571 0.850 19013 3017 1 6 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.252 2.802 19013 3018 1 6 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.732 0.049 19013 3019 1 6 . 1 1 25 25 GLN N N 25 118.276 118.276 117.021 1.255 19013 3020 1 6 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.278 -0.235 19013 3021 1 6 . 1 1 25 25 GLN C C 25 179.248 179.248 178.255 0.993 19013 3022 1 6 . 1 1 25 25 GLN CA C 25 59.680 59.680 57.713 1.967 19013 3023 1 6 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.824 -1.579 19013 3024 1 6 . 1 1 26 26 ILE N N 26 122.000 122.000 121.253 0.747 19013 3025 1 6 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.552 0.217 19013 3026 1 6 . 1 1 26 26 ILE C C 26 177.797 177.797 177.662 0.135 19013 3027 1 6 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.563 -1.385 19013 3028 1 6 . 1 1 26 26 ILE CB C 26 35.591 35.591 36.941 -1.349 19013 3029 1 6 . 1 1 27 27 LEU N N 27 119.685 119.685 121.128 -1.443 19013 3030 1 6 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.955 -0.037 19013 3031 1 6 . 1 1 27 27 LEU C C 27 178.173 178.173 178.498 -0.325 19013 3032 1 6 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.894 0.413 19013 3033 1 6 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.663 -0.576 19013 3034 1 6 . 1 1 28 28 ALA N N 28 118.927 118.927 119.698 -0.771 19013 3035 1 6 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.042 -0.180 19013 3036 1 6 . 1 1 28 28 ALA C C 28 179.693 179.693 178.799 0.894 19013 3037 1 6 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.588 0.314 19013 3038 1 6 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.209 -0.093 19013 3039 1 6 . 1 1 29 29 TYR N N 29 119.687 119.687 118.450 1.237 19013 3040 1 6 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.408 -0.486 19013 3041 1 6 . 1 1 29 29 TYR C C 29 178.234 178.234 177.073 1.161 19013 3042 1 6 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.563 0.573 19013 3043 1 6 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.917 -1.541 19013 3044 1 6 . 1 1 30 30 PHE N N 30 115.353 115.353 117.940 -2.587 19013 3045 1 6 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.695 -0.766 19013 3046 1 6 . 1 1 30 30 PHE C C 30 180.031 180.031 177.010 3.021 19013 3047 1 6 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.373 2.442 19013 3048 1 6 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.688 -0.737 19013 3049 1 6 . 1 1 31 31 ALA N N 31 125.929 125.929 122.445 3.484 19013 3050 1 6 . 1 1 31 31 ALA HA H 31 4.462 4.462 3.982 0.480 19013 3051 1 6 . 1 1 31 31 ALA C C 31 178.235 178.235 178.713 -0.478 19013 3052 1 6 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.419 -0.625 19013 3053 1 6 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.128 -0.646 19013 3054 1 6 . 1 1 32 32 GLN N N 32 113.541 113.541 118.177 -4.636 19013 3055 1 6 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.051 -0.095 19013 3056 1 6 . 1 1 32 32 GLN C C 32 177.465 177.465 178.348 -0.883 19013 3057 1 6 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.669 -1.710 19013 3058 1 6 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.388 0.697 19013 3059 1 6 . 1 1 33 33 PHE N N 33 114.638 114.638 116.198 -1.560 19013 3060 1 6 . 1 1 33 33 PHE HA H 33 4.650 4.650 3.604 1.046 19013 3061 1 6 . 1 1 33 33 PHE C C 33 175.848 175.848 176.784 -0.936 19013 3062 1 6 . 1 1 33 33 PHE CA C 33 57.066 57.066 60.244 -3.178 19013 3063 1 6 . 1 1 33 33 PHE CB C 33 37.930 37.930 39.508 -1.578 19013 3064 1 6 . 1 1 34 34 GLY N N 34 106.452 106.452 105.579 0.873 19013 3065 1 6 . 1 1 34 34 GLY C C 34 170.428 170.428 173.423 -2.995 19013 3066 1 6 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.541 0.023 19013 3067 1 6 . 1 1 35 35 GLU N N 35 118.228 118.228 124.853 -6.625 19013 3068 1 6 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.486 -0.320 19013 3069 1 6 . 1 1 35 35 GLU C C 35 175.939 175.939 176.072 -0.133 19013 3070 1 6 . 1 1 35 35 GLU CA C 35 57.385 57.385 54.992 2.393 19013 3071 1 6 . 1 1 35 35 GLU CB C 35 30.115 30.115 28.045 2.070 19013 3072 1 6 . 1 1 36 36 ILE HA H 36 4.564 4.564 3.778 0.786 19013 3073 1 6 . 1 1 36 36 ILE C C 36 176.530 176.530 176.107 0.423 19013 3074 1 6 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.934 -2.087 19013 3075 1 6 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.282 3.312 19013 3076 1 6 . 1 1 37 37 LEU N N 37 125.464 125.464 115.849 9.615 19013 3077 1 6 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.220 -0.131 19013 3078 1 6 . 1 1 37 37 LEU C C 37 178.470 178.470 176.183 2.287 19013 3079 1 6 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.014 4.100 19013 3080 1 6 . 1 1 37 37 LEU CB C 37 42.176 42.176 45.417 -3.241 19013 3081 1 6 . 1 1 38 38 GLU N N 38 120.405 120.405 120.901 -0.496 19013 3082 1 6 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.090 0.089 19013 3083 1 6 . 1 1 38 38 GLU C C 38 175.620 175.620 176.055 -0.435 19013 3084 1 6 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.687 1.943 19013 3085 1 6 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.302 -0.751 19013 3086 1 6 . 1 1 39 39 ASP N N 39 117.746 117.746 118.878 -1.132 19013 3087 1 6 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.487 0.015 19013 3088 1 6 . 1 1 39 39 ASP C C 39 176.811 176.811 175.312 1.499 19013 3089 1 6 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.295 -1.425 19013 3090 1 6 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.777 -1.396 19013 3091 1 6 . 1 1 40 40 LEU N N 40 127.180 127.180 124.243 2.937 19013 3092 1 6 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.278 0.032 19013 3093 1 6 . 1 1 40 40 LEU C C 40 177.950 177.950 177.219 0.731 19013 3094 1 6 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.708 -0.604 19013 3095 1 6 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.814 -1.108 19013 3096 1 6 . 1 1 41 41 GLU N N 41 120.599 120.599 117.978 2.621 19013 3097 1 6 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.940 -0.010 19013 3098 1 6 . 1 1 41 41 GLU C C 41 178.353 178.353 176.111 2.242 19013 3099 1 6 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.489 0.749 19013 3100 1 6 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.979 0.412 19013 3101 1 6 . 1 1 42 42 SER N N 42 114.356 114.356 114.162 0.194 19013 3102 1 6 . 1 1 42 42 SER HA H 42 4.209 4.209 4.701 -0.492 19013 3103 1 6 . 1 1 42 42 SER C C 42 175.221 175.221 172.288 2.933 19013 3104 1 6 . 1 1 42 42 SER CA C 42 60.331 60.331 57.823 2.508 19013 3105 1 6 . 1 1 42 42 SER CB C 42 62.849 62.849 64.555 -1.706 19013 3106 1 6 . 1 1 43 43 GLU N N 43 119.711 119.711 125.388 -5.677 19013 3107 1 6 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.546 -0.260 19013 3108 1 6 . 1 1 43 43 GLU C C 43 176.893 176.893 175.474 1.419 19013 3109 1 6 . 1 1 43 43 GLU CA C 43 57.593 57.593 55.178 2.415 19013 3110 1 6 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.505 -0.064 19013 3111 1 6 . 1 1 44 44 LEU N N 44 117.788 117.788 121.520 -3.732 19013 3112 1 6 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.483 -0.129 19013 3113 1 6 . 1 1 44 44 LEU C C 44 177.944 177.944 178.020 -0.076 19013 3114 1 6 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.723 0.218 19013 3115 1 6 . 1 1 44 44 LEU CB C 44 42.375 42.375 42.403 -0.028 19013 3116 1 6 . 1 1 45 45 GLY N N 45 108.349 108.349 110.037 -1.688 19013 3117 1 6 . 1 1 45 45 GLY C C 45 173.791 173.791 174.429 -0.638 19013 3118 1 6 . 1 1 45 45 GLY CA C 45 45.637 45.637 46.089 -0.452 19013 3119 1 6 . 1 1 46 46 ASP N N 46 119.869 119.869 117.871 1.998 19013 3120 1 6 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.851 -0.162 19013 3121 1 6 . 1 1 46 46 ASP C C 46 176.628 176.628 175.426 1.202 19013 3122 1 6 . 1 1 46 46 ASP CA C 46 54.021 54.021 52.957 1.064 19013 3123 1 6 . 1 1 46 46 ASP CB C 46 41.096 41.096 42.346 -1.250 19013 3124 1 6 . 1 1 47 47 THR N N 47 113.962 113.962 112.261 1.701 19013 3125 1 6 . 1 1 47 47 THR HA H 47 4.258 4.258 4.012 0.246 19013 3126 1 6 . 1 1 47 47 THR C C 47 175.277 175.277 174.894 0.383 19013 3127 1 6 . 1 1 47 47 THR CA C 47 62.715 62.715 62.861 -0.146 19013 3128 1 6 . 1 1 47 47 THR CB C 47 69.504 69.504 68.311 1.193 19013 3129 1 6 . 1 1 48 48 GLU N N 48 121.748 121.748 120.221 1.527 19013 3130 1 6 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.094 0.141 19013 3131 1 6 . 1 1 48 48 GLU C C 48 177.221 177.221 177.288 -0.067 19013 3132 1 6 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.858 -1.353 19013 3133 1 6 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.950 -0.232 19013 3134 1 6 . 1 1 49 49 THR N N 49 113.781 113.781 107.965 5.816 19013 3135 1 6 . 1 1 49 49 THR HA H 49 4.160 4.160 4.275 -0.115 19013 3136 1 6 . 1 1 49 49 THR C C 49 174.979 174.979 175.358 -0.379 19013 3137 1 6 . 1 1 49 49 THR CA C 49 62.989 62.989 63.233 -0.244 19013 3138 1 6 . 1 1 49 49 THR CB C 49 69.198 69.198 69.014 0.183 19013 3139 1 6 . 1 1 50 50 MET N N 50 121.133 121.133 122.520 -1.387 19013 3140 1 6 . 1 1 50 50 MET HA H 50 4.295 4.295 4.640 -0.345 19013 3141 1 6 . 1 1 50 50 MET C C 50 175.846 175.846 174.524 1.322 19013 3142 1 6 . 1 1 50 50 MET CA C 50 55.981 55.981 55.383 0.598 19013 3143 1 6 . 1 1 50 50 MET CB C 50 32.549 32.549 32.188 0.361 19013 3144 1 6 . 1 1 51 51 ARG N N 51 120.641 120.641 122.569 -1.928 19013 3145 1 6 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.897 -0.559 19013 3146 1 6 . 1 1 51 51 ARG C C 51 176.213 176.213 175.841 0.372 19013 3147 1 6 . 1 1 51 51 ARG CA C 51 55.879 55.879 53.118 2.761 19013 3148 1 6 . 1 1 51 51 ARG CB C 51 30.606 30.606 33.433 -2.827 19013 3149 1 6 . 1 1 52 52 THR N N 52 116.663 116.663 119.233 -2.570 19013 3150 1 6 . 1 1 52 52 THR HA H 52 4.564 4.564 4.448 0.116 19013 3151 1 6 . 1 1 52 52 THR C C 52 172.814 172.814 173.648 -0.834 19013 3152 1 6 . 1 1 52 52 THR CA C 52 59.828 59.828 62.785 -2.957 19013 3153 1 6 . 1 1 52 52 THR CB C 52 69.498 69.498 68.784 0.715 19013 3154 1 6 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.352 -0.012 19013 3155 1 6 . 1 1 53 53 PRO C C 53 177.518 177.518 177.892 -0.374 19013 3156 1 6 . 1 1 53 53 PRO CA C 53 63.990 63.990 64.121 -0.131 19013 3157 1 6 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.179 0.738 19013 3158 1 6 . 1 1 54 54 GLY N N 54 108.804 108.804 112.048 -3.244 19013 3159 1 6 . 1 1 54 54 GLY C C 54 174.121 174.121 173.505 0.616 19013 3160 1 6 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.834 0.535 19013 3161 1 6 . 1 1 55 55 TYR N N 55 119.872 119.872 120.675 -0.803 19013 3162 1 6 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.767 -0.407 19013 3163 1 6 . 1 1 55 55 TYR C C 55 175.550 175.550 173.928 1.622 19013 3164 1 6 . 1 1 55 55 TYR CA C 55 58.508 58.508 57.173 1.335 19013 3165 1 6 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.166 -0.259 19013 3166 1 6 . 1 1 56 56 PHE N N 56 121.248 121.248 124.848 -3.600 19013 3167 1 6 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.750 -0.321 19013 3168 1 6 . 1 1 56 56 PHE C C 56 175.354 175.354 174.882 0.472 19013 3169 1 6 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.108 1.030 19013 3170 1 6 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.228 -0.715 19013 3171 1 6 . 1 1 57 57 PHE N N 57 121.226 121.226 113.785 7.441 19013 3172 1 6 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.250 0.223 19013 3173 1 6 . 1 1 57 57 PHE C C 57 175.182 175.182 173.963 1.219 19013 3174 1 6 . 1 1 57 57 PHE CA C 57 57.826 57.826 57.830 -0.004 19013 3175 1 6 . 1 1 57 57 PHE CB C 57 39.529 39.529 38.268 1.261 19013 3176 1 6 . 1 1 58 58 GLN N N 58 121.160 121.160 119.380 1.780 19013 3177 1 6 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.466 -0.234 19013 3178 1 6 . 1 1 58 58 GLN C C 58 175.287 175.287 174.784 0.503 19013 3179 1 6 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.050 0.355 19013 3180 1 6 . 1 1 58 58 GLN CB C 58 29.477 29.477 31.280 -1.803 19013 3181 1 6 . 1 1 59 59 GLN N N 59 120.923 120.923 122.809 -1.886 19013 3182 1 6 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.679 -0.393 19013 3183 1 6 . 1 1 59 59 GLN C C 59 175.318 175.318 174.377 0.941 19013 3184 1 6 . 1 1 59 59 GLN CA C 59 55.297 55.297 54.988 0.309 19013 3185 1 6 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.546 0.873 19013 3186 1 6 . 1 1 60 60 ALA N N 60 126.737 126.737 128.368 -1.631 19013 3187 1 6 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.839 -0.303 19013 3188 1 6 . 1 1 60 60 ALA C C 60 175.924 175.924 175.065 0.859 19013 3189 1 6 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.993 0.689 19013 3190 1 6 . 1 1 60 60 ALA CB C 60 18.173 18.173 20.048 -1.875 19013 3191 1 6 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.311 0.093 19013 3192 1 6 . 1 1 61 61 PRO C C 61 176.902 176.902 176.131 0.771 19013 3193 1 6 . 1 1 61 61 PRO CA C 61 63.549 63.549 65.105 -1.556 19013 3194 1 6 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.724 0.257 19013 3195 1 6 . 1 1 62 62 ASN N N 62 116.490 116.490 114.645 1.845 19013 3196 1 6 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.756 -0.156 19013 3197 1 6 . 1 1 62 62 ASN C C 62 174.942 174.942 174.168 0.774 19013 3198 1 6 . 1 1 62 62 ASN CA C 62 53.299 53.299 52.313 0.986 19013 3199 1 6 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.719 0.302 19013 3200 1 6 . 1 1 63 63 ARG N N 63 120.117 120.117 121.753 -1.636 19013 3201 1 6 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.562 -0.201 19013 3202 1 6 . 1 1 63 63 ARG C C 63 175.853 175.853 175.952 -0.099 19013 3203 1 6 . 1 1 63 63 ARG CA C 63 55.555 55.555 55.050 0.505 19013 3204 1 6 . 1 1 63 63 ARG CB C 63 31.085 31.085 29.541 1.544 19013 3205 1 6 . 1 1 64 64 ARG N N 64 123.061 123.061 128.706 -5.645 19013 3206 1 6 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.663 -0.363 19013 3207 1 6 . 1 1 64 64 ARG C C 64 175.995 175.995 176.332 -0.337 19013 3208 1 6 . 1 1 64 64 ARG CA C 64 56.003 56.003 54.735 1.268 19013 3209 1 6 . 1 1 64 64 ARG CB C 64 30.480 30.480 28.877 1.603 19013 3210 1 6 . 1 1 65 65 ARG N N 65 123.698 123.698 122.080 1.618 19013 3211 1 6 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.221 0.355 19013 3212 1 6 . 1 1 65 65 ARG C C 65 176.085 176.085 176.959 -0.874 19013 3213 1 6 . 1 1 65 65 ARG CA C 65 55.448 55.448 58.038 -2.590 19013 3214 1 6 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.837 0.318 19013 3215 1 6 . 1 1 66 66 ILE N N 66 120.928 120.928 120.880 0.048 19013 3216 1 6 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.943 0.492 19013 3217 1 6 . 1 1 66 66 ILE C C 66 175.488 175.488 175.265 0.223 19013 3218 1 6 . 1 1 66 66 ILE CA C 66 60.214 60.214 61.093 -0.879 19013 3219 1 6 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.564 1.590 19013 3220 1 6 . 1 1 67 67 SER N N 67 119.534 119.534 122.164 -2.630 19013 3221 1 6 . 1 1 67 67 SER HA H 67 4.431 4.431 4.500 -0.069 19013 3222 1 6 . 1 1 67 67 SER C C 67 174.034 174.034 173.782 0.252 19013 3223 1 6 . 1 1 67 67 SER CA C 67 58.599 58.599 58.877 -0.278 19013 3224 1 6 . 1 1 67 67 SER CB C 67 63.499 63.499 63.466 0.033 19013 3225 1 6 . 1 1 68 68 ARG N N 68 124.936 124.936 120.007 4.929 19013 3226 1 6 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.530 0.045 19013 3227 1 6 . 1 1 68 68 ARG C C 68 175.967 175.967 175.533 0.434 19013 3228 1 6 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.831 0.623 19013 3229 1 6 . 1 1 68 68 ARG CB C 68 32.473 32.473 30.829 1.644 19013 3230 1 6 . 1 1 69 69 GLU N N 69 136.462 136.462 122.538 13.924 19013 3231 1 6 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.285 0.220 19013 3232 1 6 . 1 1 69 69 GLU C C 69 174.852 174.852 175.505 -0.653 19013 3233 1 6 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.422 -0.228 19013 3234 1 6 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.365 -0.564 19013 3235 1 6 . 1 1 70 70 HIS N N 70 120.728 120.728 117.749 2.979 19013 3236 1 6 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.216 -0.480 19013 3237 1 6 . 1 1 70 70 HIS C C 70 171.455 171.455 172.719 -1.264 19013 3238 1 6 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.949 0.625 19013 3239 1 6 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.881 -0.765 19013 3240 1 6 . 1 1 71 71 GLY N N 71 108.698 108.698 107.873 0.825 19013 3241 1 6 . 1 1 71 71 GLY C C 71 174.611 174.611 172.838 1.773 19013 3242 1 6 . 1 1 71 71 GLY CA C 71 43.064 43.064 42.779 0.285 19013 3243 1 6 . 1 1 72 72 ARG N N 72 123.350 123.350 119.649 3.701 19013 3244 1 6 . 1 1 72 72 ARG HA H 72 4.195 4.195 3.999 0.196 19013 3245 1 6 . 1 1 72 72 ARG C C 72 178.495 178.495 176.428 2.067 19013 3246 1 6 . 1 1 72 72 ARG CA C 72 60.196 60.196 59.021 1.175 19013 3247 1 6 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.687 0.135 19013 3248 1 6 . 1 1 73 73 THR N N 73 103.467 103.467 104.926 -1.459 19013 3249 1 6 . 1 1 73 73 THR HA H 73 4.196 4.196 4.850 -0.654 19013 3250 1 6 . 1 1 73 73 THR C C 73 171.300 171.300 172.748 -1.448 19013 3251 1 6 . 1 1 73 73 THR CA C 73 59.336 59.336 60.221 -0.885 19013 3252 1 6 . 1 1 73 73 THR CB C 73 69.837 69.837 70.011 -0.174 19013 3253 1 6 . 1 1 74 74 TRP N N 74 112.582 112.582 120.658 -8.076 19013 3254 1 6 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.743 -0.036 19013 3255 1 6 . 1 1 74 74 TRP C C 74 176.667 176.667 173.936 2.731 19013 3256 1 6 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.643 0.239 19013 3257 1 6 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.093 0.767 19013 3258 1 6 . 1 1 75 75 THR N N 75 114.629 114.629 118.778 -4.149 19013 3259 1 6 . 1 1 75 75 THR HA H 75 4.594 4.594 4.579 0.015 19013 3260 1 6 . 1 1 75 75 THR C C 75 170.237 170.237 172.869 -2.632 19013 3261 1 6 . 1 1 75 75 THR CA C 75 61.354 61.354 61.986 -0.632 19013 3262 1 6 . 1 1 75 75 THR CB C 75 69.887 69.887 72.310 -2.423 19013 3263 1 6 . 1 1 76 76 LYS N N 76 130.596 130.596 128.950 1.646 19013 3264 1 6 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.120 0.602 19013 3265 1 6 . 1 1 76 76 LYS C C 76 177.934 177.934 175.697 2.237 19013 3266 1 6 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.553 0.487 19013 3267 1 6 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.483 1.687 19013 3268 1 6 . 1 1 77 77 LEU N N 77 128.006 128.006 129.176 -1.170 19013 3269 1 6 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.690 -0.403 19013 3270 1 6 . 1 1 77 77 LEU C C 77 174.557 174.557 175.569 -1.012 19013 3271 1 6 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.164 1.133 19013 3272 1 6 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.962 2.138 19013 3273 1 6 . 1 1 78 78 THR N N 78 123.666 123.666 119.777 3.889 19013 3274 1 6 . 1 1 78 78 THR HA H 78 4.435 4.435 4.741 -0.306 19013 3275 1 6 . 1 1 78 78 THR C C 78 174.067 174.067 174.160 -0.093 19013 3276 1 6 . 1 1 78 78 THR CA C 78 62.500 62.500 61.783 0.717 19013 3277 1 6 . 1 1 78 78 THR CB C 78 67.902 67.902 69.964 -2.062 19013 3278 1 6 . 1 1 79 79 TYR N N 79 125.290 125.290 127.267 -1.977 19013 3279 1 6 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.431 0.521 19013 3280 1 6 . 1 1 79 79 TYR C C 79 176.523 176.523 176.551 -0.028 19013 3281 1 6 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.454 -0.075 19013 3282 1 6 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.526 0.293 19013 3283 1 6 . 1 1 80 80 ALA N N 80 121.971 121.971 119.856 2.115 19013 3284 1 6 . 1 1 80 80 ALA HA H 80 4.060 4.060 4.051 0.009 19013 3285 1 6 . 1 1 80 80 ALA C C 80 177.255 177.255 176.312 0.943 19013 3286 1 6 . 1 1 80 80 ALA CA C 80 53.930 53.930 52.971 0.959 19013 3287 1 6 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.858 1.328 19013 3288 1 6 . 1 1 81 81 ASN N N 81 112.786 112.786 116.206 -3.420 19013 3289 1 6 . 1 1 81 81 ASN HA H 81 5.097 5.097 5.042 0.055 19013 3290 1 6 . 1 1 81 81 ASN C C 81 175.438 175.438 175.108 0.330 19013 3291 1 6 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.085 -0.597 19013 3292 1 6 . 1 1 81 81 ASN CB C 81 41.430 41.430 41.365 0.065 19013 3293 1 6 . 1 1 82 82 HIS N N 82 123.560 123.560 123.642 -0.082 19013 3294 1 6 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.482 -0.195 19013 3295 1 6 . 1 1 82 82 HIS C C 82 176.494 176.494 176.776 -0.282 19013 3296 1 6 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.196 -1.105 19013 3297 1 6 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.114 -1.551 19013 3298 1 6 . 1 1 83 83 SER N N 83 114.623 114.623 115.176 -0.553 19013 3299 1 6 . 1 1 83 83 SER HA H 83 4.095 4.095 4.322 -0.227 19013 3300 1 6 . 1 1 83 83 SER C C 83 177.619 177.619 176.981 0.638 19013 3301 1 6 . 1 1 83 83 SER CA C 83 61.637 61.637 61.777 -0.140 19013 3302 1 6 . 1 1 83 83 SER CB C 83 61.644 61.644 62.467 -0.823 19013 3303 1 6 . 1 1 84 84 SER N N 84 120.863 120.863 117.470 3.393 19013 3304 1 6 . 1 1 84 84 SER HA H 84 3.935 3.935 3.891 0.044 19013 3305 1 6 . 1 1 84 84 SER C C 84 173.466 173.466 175.811 -2.345 19013 3306 1 6 . 1 1 84 84 SER CA C 84 62.250 62.250 60.483 1.767 19013 3307 1 6 . 1 1 84 84 SER CB C 84 62.700 62.700 62.523 0.177 19013 3308 1 6 . 1 1 85 85 TYR N N 85 122.263 122.263 123.151 -0.888 19013 3309 1 6 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.162 -0.393 19013 3310 1 6 . 1 1 85 85 TYR C C 85 175.010 175.010 177.964 -2.954 19013 3311 1 6 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.256 -0.583 19013 3312 1 6 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.352 -0.727 19013 3313 1 6 . 1 1 86 86 LEU N N 86 117.366 117.366 119.827 -2.461 19013 3314 1 6 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.881 -0.344 19013 3315 1 6 . 1 1 86 86 LEU C C 86 179.942 179.942 178.879 1.063 19013 3316 1 6 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.149 0.120 19013 3317 1 6 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.897 -0.203 19013 3318 1 6 . 1 1 87 87 ARG N N 87 118.578 118.578 117.227 1.351 19013 3319 1 6 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.078 -0.230 19013 3320 1 6 . 1 1 87 87 ARG C C 87 178.784 178.784 176.614 2.170 19013 3321 1 6 . 1 1 87 87 ARG CA C 87 57.441 57.441 57.961 -0.520 19013 3322 1 6 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.792 -0.851 19013 3323 1 6 . 1 1 88 88 ALA N N 88 123.868 123.868 118.898 4.970 19013 3324 1 6 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.428 -0.885 19013 3325 1 6 . 1 1 88 88 ALA C C 88 179.517 179.517 178.088 1.429 19013 3326 1 6 . 1 1 88 88 ALA CA C 88 55.414 55.414 52.441 2.974 19013 3327 1 6 . 1 1 88 88 ALA CB C 88 18.142 18.142 19.035 -0.893 19013 3328 1 6 . 1 1 89 89 LEU N N 89 114.573 114.573 119.022 -4.449 19013 3329 1 6 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.021 -0.097 19013 3330 1 6 . 1 1 89 89 LEU C C 89 180.088 180.088 176.603 3.485 19013 3331 1 6 . 1 1 89 89 LEU CA C 89 57.417 57.417 56.569 0.848 19013 3332 1 6 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.800 0.087 19013 3333 1 6 . 1 1 90 90 ARG N N 90 116.735 116.735 116.235 0.500 19013 3334 1 6 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.160 -0.028 19013 3335 1 6 . 1 1 90 90 ARG C C 90 177.429 177.429 176.644 0.785 19013 3336 1 6 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.498 0.301 19013 3337 1 6 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.008 0.826 19013 3338 1 6 . 1 1 91 91 GLU N N 91 115.787 115.787 119.166 -3.379 19013 3339 1 6 . 1 1 91 91 GLU HA H 91 4.147 4.147 3.891 0.256 19013 3340 1 6 . 1 1 91 91 GLU C C 91 176.303 176.303 174.959 1.344 19013 3341 1 6 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.678 -2.342 19013 3342 1 6 . 1 1 91 91 GLU CB C 91 29.705 29.705 28.624 1.081 19013 3343 1 6 . 1 1 92 92 HIS N N 92 118.997 118.997 118.513 0.484 19013 3344 1 6 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.713 -0.442 19013 3345 1 6 . 1 1 92 92 HIS C C 92 176.823 176.823 175.819 1.004 19013 3346 1 6 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.189 4.264 19013 3347 1 6 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.071 1.741 19013 3348 1 6 . 1 1 93 93 GLY N N 93 116.944 116.944 113.294 3.650 19013 3349 1 6 . 1 1 93 93 GLY C C 93 174.512 174.512 174.270 0.242 19013 3350 1 6 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.436 -0.460 19013 3351 1 6 . 1 1 94 94 THR N N 94 117.838 117.838 116.284 1.554 19013 3352 1 6 . 1 1 94 94 THR HA H 94 4.059 4.059 4.387 -0.328 19013 3353 1 6 . 1 1 94 94 THR C C 94 172.656 172.656 173.157 -0.501 19013 3354 1 6 . 1 1 94 94 THR CA C 94 63.330 63.330 63.230 0.100 19013 3355 1 6 . 1 1 94 94 THR CB C 94 69.936 69.936 67.908 2.028 19013 3356 1 6 . 1 1 95 95 ILE N N 95 124.155 124.155 126.324 -2.169 19013 3357 1 6 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.651 -0.263 19013 3358 1 6 . 1 1 95 95 ILE C C 95 175.534 175.534 175.018 0.516 19013 3359 1 6 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.516 -0.739 19013 3360 1 6 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.863 -3.873 19013 3361 1 6 . 1 1 96 96 TYR N N 96 130.370 130.370 128.168 2.202 19013 3362 1 6 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.789 -0.226 19013 3363 1 6 . 1 1 96 96 TYR C C 96 174.539 174.539 175.864 -1.325 19013 3364 1 6 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.916 -0.460 19013 3365 1 6 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.886 -0.159 19013 3366 1 6 . 1 1 97 97 CYS N N 97 123.936 123.936 126.637 -2.701 19013 3367 1 6 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.942 -0.284 19013 3368 1 6 . 1 1 97 97 CYS C C 97 175.798 175.798 175.350 0.448 19013 3369 1 6 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.185 0.636 19013 3370 1 6 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.430 -0.951 19013 3371 1 6 . 1 1 98 98 GLY N N 98 103.268 103.268 106.165 -2.897 19013 3372 1 6 . 1 1 98 98 GLY C C 98 173.270 173.270 172.992 0.278 19013 3373 1 6 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.751 0.561 19013 3374 1 6 . 1 1 99 99 ALA N N 99 123.511 123.511 122.445 1.066 19013 3375 1 6 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.701 -0.006 19013 3376 1 6 . 1 1 99 99 ALA C C 99 175.215 175.215 175.305 -0.090 19013 3377 1 6 . 1 1 99 99 ALA CA C 99 50.778 50.778 51.139 -0.361 19013 3378 1 6 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.789 -0.034 19013 3379 1 6 . 1 1 100 100 ALA N N 100 124.957 124.957 125.315 -0.358 19013 3380 1 6 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.254 -0.621 19013 3381 1 6 . 1 1 100 100 ALA C C 100 177.477 177.477 177.672 -0.195 19013 3382 1 6 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.106 0.417 19013 3383 1 6 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.281 -1.112 19013 3384 1 6 . 1 1 101 101 ILE N N 101 121.598 121.598 120.512 1.086 19013 3385 1 6 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.399 0.056 19013 3386 1 6 . 1 1 101 101 ILE C C 101 175.956 175.956 175.380 0.576 19013 3387 1 6 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.039 -0.075 19013 3388 1 6 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.772 1.063 19013 3389 1 6 . 1 1 102 102 GLY N N 102 113.717 113.717 112.422 1.295 19013 3390 1 6 . 1 1 102 102 GLY C C 102 172.857 172.857 172.692 0.165 19013 3391 1 6 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.798 -1.354 19013 3392 1 6 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.444 0.090 19013 3393 1 6 . 1 1 103 103 CYS C C 103 172.624 172.624 173.896 -1.272 19013 3394 1 6 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.674 2.029 19013 3395 1 6 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.133 -1.790 19013 3396 1 6 . 1 1 104 104 VAL N N 104 118.519 118.519 121.423 -2.904 19013 3397 1 6 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.807 0.098 19013 3398 1 6 . 1 1 104 104 VAL C C 104 172.705 172.705 173.042 -0.337 19013 3399 1 6 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.099 -0.686 19013 3400 1 6 . 1 1 104 104 VAL CB C 104 33.103 33.103 34.202 -1.099 19013 3401 1 6 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.684 -0.069 19013 3402 1 6 . 1 1 105 105 PRO C C 105 176.557 176.557 175.903 0.654 19013 3403 1 6 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.599 0.955 19013 3404 1 6 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.457 0.209 19013 3405 1 6 . 1 1 106 106 TYR N N 106 121.923 121.923 123.252 -1.329 19013 3406 1 6 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.313 -0.483 19013 3407 1 6 . 1 1 106 106 TYR C C 106 174.643 174.643 175.014 -0.371 19013 3408 1 6 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.272 0.746 19013 3409 1 6 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.828 0.559 19013 3410 1 6 . 1 1 107 107 LYS N N 107 124.087 124.087 127.328 -3.241 19013 3411 1 6 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.688 -0.507 19013 3412 1 6 . 1 1 107 107 LYS C C 107 176.443 176.443 176.219 0.224 19013 3413 1 6 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.429 0.347 19013 3414 1 6 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.587 1.338 19013 3415 1 6 . 1 1 108 108 HIS N N 108 124.171 124.171 124.974 -0.803 19013 3416 1 6 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.063 -0.103 19013 3417 1 6 . 1 1 108 108 HIS C C 108 176.998 176.998 176.507 0.491 19013 3418 1 6 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.298 -0.699 19013 3419 1 6 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.398 -1.850 19013 3420 1 6 . 1 1 109 109 GLU N N 109 118.941 118.941 119.551 -0.610 19013 3421 1 6 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.911 0.002 19013 3422 1 6 . 1 1 109 109 GLU C C 109 177.738 177.738 177.555 0.183 19013 3423 1 6 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.225 0.112 19013 3424 1 6 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.980 -0.261 19013 3425 1 6 . 1 1 110 110 LEU N N 110 118.555 118.555 120.426 -1.871 19013 3426 1 6 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.882 0.119 19013 3427 1 6 . 1 1 110 110 LEU C C 110 177.872 177.872 178.439 -0.567 19013 3428 1 6 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.869 -1.496 19013 3429 1 6 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.654 0.301 19013 3430 1 6 . 1 1 111 111 ILE N N 111 117.129 117.129 118.502 -1.373 19013 3431 1 6 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.090 -0.120 19013 3432 1 6 . 1 1 111 111 ILE C C 111 178.773 178.773 177.751 1.022 19013 3433 1 6 . 1 1 111 111 ILE CA C 111 62.738 62.738 64.440 -1.702 19013 3434 1 6 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.896 -1.478 19013 3435 1 6 . 1 1 112 112 SER N N 112 116.165 116.165 115.353 0.812 19013 3436 1 6 . 1 1 112 112 SER HA H 112 4.000 4.000 3.844 0.156 19013 3437 1 6 . 1 1 112 112 SER C C 112 176.313 176.313 176.601 -0.288 19013 3438 1 6 . 1 1 112 112 SER CA C 112 61.433 61.433 62.122 -0.689 19013 3439 1 6 . 1 1 112 112 SER CB C 112 62.188 62.188 62.636 -0.448 19013 3440 1 6 . 1 1 113 113 GLU N N 113 120.732 120.732 122.167 -1.435 19013 3441 1 6 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.990 -0.004 19013 3442 1 6 . 1 1 113 113 GLU C C 113 178.799 178.799 178.703 0.096 19013 3443 1 6 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.182 -0.661 19013 3444 1 6 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.459 -0.077 19013 3445 1 6 . 1 1 114 114 LEU N N 114 119.452 119.452 118.987 0.465 19013 3446 1 6 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.676 0.047 19013 3447 1 6 . 1 1 114 114 LEU C C 114 179.184 179.184 179.200 -0.016 19013 3448 1 6 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.541 -0.857 19013 3449 1 6 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.011 -1.024 19013 3450 1 6 . 1 1 115 115 SER N N 115 112.708 112.708 114.471 -1.763 19013 3451 1 6 . 1 1 115 115 SER HA H 115 4.615 4.615 4.256 0.359 19013 3452 1 6 . 1 1 115 115 SER C C 115 174.994 174.994 176.199 -1.205 19013 3453 1 6 . 1 1 115 115 SER CA C 115 59.706 59.706 60.990 -1.284 19013 3454 1 6 . 1 1 115 115 SER CB C 115 63.512 63.512 63.160 0.352 19013 3455 1 6 . 1 1 116 116 ARG N N 116 121.600 121.600 119.125 2.475 19013 3456 1 6 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.238 0.003 19013 3457 1 6 . 1 1 116 116 ARG C C 116 176.893 176.893 176.985 -0.092 19013 3458 1 6 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.867 0.155 19013 3459 1 6 . 1 1 116 116 ARG CB C 116 30.163 30.163 31.050 -0.887 19013 3460 1 6 . 1 1 117 117 GLU N N 117 120.450 120.450 118.669 1.781 19013 3461 1 6 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.974 0.266 19013 3462 1 6 . 1 1 117 117 GLU C C 117 177.260 177.260 176.443 0.817 19013 3463 1 6 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.550 -0.508 19013 3464 1 6 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.813 0.950 19013 3465 1 6 . 1 1 118 118 GLY N N 118 108.905 108.905 106.143 2.762 19013 3466 1 6 . 1 1 118 118 GLY C C 118 174.225 174.225 174.648 -0.423 19013 3467 1 6 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.277 0.106 19013 3468 1 6 . 1 1 119 119 HIS N N 119 117.625 117.625 118.009 -0.384 19013 3469 1 6 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.100 0.559 19013 3470 1 6 . 1 1 119 119 HIS C C 119 174.439 174.439 175.427 -0.988 19013 3471 1 6 . 1 1 119 119 HIS CA C 119 55.413 55.413 56.824 -1.411 19013 3472 1 6 . 1 1 119 119 HIS CB C 119 28.904 28.904 28.412 0.492 19013 3473 1 6 . 1 1 120 120 HIS N N 120 119.015 119.015 116.915 2.100 19013 3474 1 6 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.564 0.108 19013 3475 1 6 . 1 1 120 120 HIS C C 120 174.259 174.259 174.972 -0.713 19013 3476 1 6 . 1 1 120 120 HIS CA C 120 55.321 55.321 54.944 0.377 19013 3477 1 6 . 1 1 120 120 HIS CB C 120 29.098 29.098 27.677 1.421 19013 3478 1 6 . 1 1 121 121 HIS N N 121 119.872 119.872 119.819 0.053 19013 3479 1 6 . 1 1 121 121 HIS HA H 121 4.680 4.680 3.806 0.874 19013 3480 1 6 . 1 1 121 121 HIS C C 121 174.245 174.245 173.861 0.384 19013 3481 1 6 . 1 1 121 121 HIS CA C 121 55.389 55.389 58.252 -2.863 19013 3482 1 6 . 1 1 121 121 HIS CB C 121 29.259 29.259 28.998 0.261 19013 3483 1 6 . 1 1 122 122 HIS N N 122 120.597 120.597 116.718 3.879 19013 3484 1 6 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.579 0.108 19013 3485 1 6 . 1 1 122 122 HIS C C 122 174.101 174.101 174.499 -0.398 19013 3486 1 6 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.123 -0.737 19013 3487 1 6 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.601 -1.252 19013 3488 1 6 . 1 1 123 123 HIS N N 123 120.680 120.680 119.300 1.380 19013 3489 1 6 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.337 0.319 19013 3490 1 6 . 1 1 123 123 HIS C C 123 173.591 173.591 175.340 -1.749 19013 3491 1 6 . 1 1 123 123 HIS CA C 123 55.563 55.563 57.753 -2.190 19013 3492 1 6 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.855 -0.399 19013 3493 1 7 . 1 1 2 2 SER HA H 2 4.167 4.167 4.506 -0.339 19013 3494 1 7 . 1 1 2 2 SER C C 2 170.960 170.960 174.361 -3.401 19013 3495 1 7 . 1 1 2 2 SER CA C 2 57.139 57.139 58.073 -0.934 19013 3496 1 7 . 1 1 2 2 SER CB C 2 63.027 63.027 63.645 -0.618 19013 3497 1 7 . 1 1 3 3 LEU N N 3 123.102 123.102 124.830 -1.728 19013 3498 1 7 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.256 0.159 19013 3499 1 7 . 1 1 3 3 LEU C C 3 177.886 177.886 177.406 0.480 19013 3500 1 7 . 1 1 3 3 LEU CA C 3 55.625 55.625 56.053 -0.428 19013 3501 1 7 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.269 0.065 19013 3502 1 7 . 1 1 4 4 GLY N N 4 110.546 110.546 104.568 5.978 19013 3503 1 7 . 1 1 4 4 GLY C C 4 174.473 174.473 174.544 -0.071 19013 3504 1 7 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.425 0.845 19013 3505 1 7 . 1 1 5 5 SER N N 5 115.839 115.839 115.030 0.809 19013 3506 1 7 . 1 1 5 5 SER HA H 5 4.472 4.472 4.204 0.268 19013 3507 1 7 . 1 1 5 5 SER C C 5 175.085 175.085 174.629 0.456 19013 3508 1 7 . 1 1 5 5 SER CA C 5 58.419 58.419 58.595 -0.176 19013 3509 1 7 . 1 1 5 5 SER CB C 5 63.648 63.648 63.468 0.180 19013 3510 1 7 . 1 1 6 6 GLU N N 6 122.855 122.855 120.785 2.070 19013 3511 1 7 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.193 0.147 19013 3512 1 7 . 1 1 6 6 GLU C C 6 176.767 176.767 175.320 1.447 19013 3513 1 7 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.459 0.561 19013 3514 1 7 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.775 1.010 19013 3515 1 7 . 1 1 7 7 SER N N 7 116.046 116.046 113.819 2.227 19013 3516 1 7 . 1 1 7 7 SER HA H 7 4.444 4.444 4.559 -0.115 19013 3517 1 7 . 1 1 7 7 SER C C 7 174.946 174.946 174.705 0.241 19013 3518 1 7 . 1 1 7 7 SER CA C 7 58.587 58.587 57.419 1.168 19013 3519 1 7 . 1 1 7 7 SER CB C 7 63.645 63.645 63.193 0.452 19013 3520 1 7 . 1 1 8 8 GLU N N 8 122.758 122.758 124.586 -1.828 19013 3521 1 7 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.183 0.189 19013 3522 1 7 . 1 1 8 8 GLU C C 8 176.929 176.929 176.912 0.017 19013 3523 1 7 . 1 1 8 8 GLU CA C 8 56.902 56.902 58.324 -1.422 19013 3524 1 7 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.881 -0.044 19013 3525 1 7 . 1 1 9 9 THR N N 9 113.221 113.221 113.292 -0.071 19013 3526 1 7 . 1 1 9 9 THR HA H 9 4.295 4.295 4.209 0.086 19013 3527 1 7 . 1 1 9 9 THR C C 9 175.371 175.371 175.648 -0.277 19013 3528 1 7 . 1 1 9 9 THR CA C 9 62.279 62.279 63.820 -1.541 19013 3529 1 7 . 1 1 9 9 THR CB C 9 69.828 69.828 69.347 0.481 19013 3530 1 7 . 1 1 10 10 GLY N N 10 110.774 110.774 110.657 0.117 19013 3531 1 7 . 1 1 10 10 GLY C C 10 173.283 173.283 174.497 -1.214 19013 3532 1 7 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.869 -1.138 19013 3533 1 7 . 1 1 11 11 ASN N N 11 116.215 116.215 123.178 -6.963 19013 3534 1 7 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.349 -0.082 19013 3535 1 7 . 1 1 11 11 ASN C C 11 174.352 174.352 173.836 0.516 19013 3536 1 7 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.273 0.194 19013 3537 1 7 . 1 1 11 11 ASN CB C 11 39.483 39.483 39.366 0.117 19013 3538 1 7 . 1 1 12 12 ALA N N 12 121.979 121.979 122.962 -0.983 19013 3539 1 7 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.064 0.921 19013 3540 1 7 . 1 1 12 12 ALA C C 12 177.325 177.325 176.216 1.109 19013 3541 1 7 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.093 -0.556 19013 3542 1 7 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.275 0.555 19013 3543 1 7 . 1 1 13 13 VAL N N 13 116.191 116.191 116.391 -0.200 19013 3544 1 7 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.274 0.052 19013 3545 1 7 . 1 1 13 13 VAL C C 13 175.275 175.275 174.011 1.264 19013 3546 1 7 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.027 -0.265 19013 3547 1 7 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.778 -0.617 19013 3548 1 7 . 1 1 14 14 VAL N N 14 119.334 119.334 122.428 -3.094 19013 3549 1 7 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.511 0.727 19013 3550 1 7 . 1 1 14 14 VAL C C 14 174.716 174.716 175.218 -0.502 19013 3551 1 7 . 1 1 14 14 VAL CA C 14 61.296 61.296 62.027 -0.731 19013 3552 1 7 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.342 2.038 19013 3553 1 7 . 1 1 15 15 VAL N N 15 127.812 127.812 128.803 -0.991 19013 3554 1 7 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.279 0.029 19013 3555 1 7 . 1 1 15 15 VAL C C 15 176.256 176.256 175.160 1.096 19013 3556 1 7 . 1 1 15 15 VAL CA C 15 60.155 60.155 61.104 -0.949 19013 3557 1 7 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.221 0.080 19013 3558 1 7 . 1 1 16 16 PHE N N 16 122.243 122.243 120.876 1.367 19013 3559 1 7 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.258 0.661 19013 3560 1 7 . 1 1 16 16 PHE C C 16 174.623 174.623 175.133 -0.510 19013 3561 1 7 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.057 1.077 19013 3562 1 7 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.191 -0.098 19013 3563 1 7 . 1 1 17 17 GLY N N 17 106.894 106.894 106.073 0.821 19013 3564 1 7 . 1 1 17 17 GLY C C 17 174.023 174.023 173.493 0.530 19013 3565 1 7 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.397 -0.436 19013 3566 1 7 . 1 1 18 18 TYR N N 18 115.205 115.205 117.080 -1.875 19013 3567 1 7 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.006 -0.140 19013 3568 1 7 . 1 1 18 18 TYR C C 18 173.847 173.847 173.143 0.704 19013 3569 1 7 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.370 -2.205 19013 3570 1 7 . 1 1 18 18 TYR CB C 18 39.831 39.831 40.083 -0.252 19013 3571 1 7 . 1 1 19 19 ARG N N 19 116.814 116.814 118.619 -1.805 19013 3572 1 7 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.612 -0.157 19013 3573 1 7 . 1 1 19 19 ARG C C 19 177.198 177.198 175.476 1.722 19013 3574 1 7 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.212 0.716 19013 3575 1 7 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.089 -2.368 19013 3576 1 7 . 1 1 20 20 GLU N N 20 125.261 125.261 121.789 3.472 19013 3577 1 7 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.194 -0.137 19013 3578 1 7 . 1 1 20 20 GLU C C 20 180.643 180.643 175.453 5.190 19013 3579 1 7 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.306 2.223 19013 3580 1 7 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.684 1.179 19013 3581 1 7 . 1 1 21 21 ALA N N 21 119.760 119.760 126.568 -6.808 19013 3582 1 7 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.347 0.007 19013 3583 1 7 . 1 1 21 21 ALA C C 21 179.291 179.291 177.393 1.898 19013 3584 1 7 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.865 1.815 19013 3585 1 7 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.389 -0.979 19013 3586 1 7 . 1 1 22 22 ILE N N 22 109.751 109.751 116.769 -7.018 19013 3587 1 7 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.335 0.840 19013 3588 1 7 . 1 1 22 22 ILE C C 22 175.636 175.636 176.147 -0.511 19013 3589 1 7 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.135 0.096 19013 3590 1 7 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.464 1.981 19013 3591 1 7 . 1 1 23 23 THR N N 23 118.763 118.763 119.251 -0.488 19013 3592 1 7 . 1 1 23 23 THR HA H 23 3.375 3.375 3.833 -0.458 19013 3593 1 7 . 1 1 23 23 THR C C 23 175.159 175.159 176.469 -1.310 19013 3594 1 7 . 1 1 23 23 THR CA C 23 68.267 68.267 67.659 0.608 19013 3595 1 7 . 1 1 23 23 THR CB C 23 69.564 69.564 68.257 1.307 19013 3596 1 7 . 1 1 24 24 LYS N N 24 118.723 118.723 119.843 -1.120 19013 3597 1 7 . 1 1 24 24 LYS HA H 24 3.663 3.663 3.985 -0.322 19013 3598 1 7 . 1 1 24 24 LYS C C 24 178.421 178.421 178.958 -0.537 19013 3599 1 7 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.614 1.440 19013 3600 1 7 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.726 0.055 19013 3601 1 7 . 1 1 25 25 GLN N N 25 118.276 118.276 118.868 -0.592 19013 3602 1 7 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.075 -0.032 19013 3603 1 7 . 1 1 25 25 GLN C C 25 179.248 179.248 178.851 0.397 19013 3604 1 7 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.821 0.859 19013 3605 1 7 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.671 -0.425 19013 3606 1 7 . 1 1 26 26 ILE N N 26 122.000 122.000 120.135 1.865 19013 3607 1 7 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.396 0.373 19013 3608 1 7 . 1 1 26 26 ILE C C 26 177.797 177.797 177.339 0.458 19013 3609 1 7 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.286 -1.108 19013 3610 1 7 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.955 -2.364 19013 3611 1 7 . 1 1 27 27 LEU N N 27 119.685 119.685 122.220 -2.535 19013 3612 1 7 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.016 -0.098 19013 3613 1 7 . 1 1 27 27 LEU C C 27 178.173 178.173 177.654 0.519 19013 3614 1 7 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.728 0.579 19013 3615 1 7 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.413 -0.326 19013 3616 1 7 . 1 1 28 28 ALA N N 28 118.927 118.927 119.818 -0.891 19013 3617 1 7 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.006 -0.144 19013 3618 1 7 . 1 1 28 28 ALA C C 28 179.693 179.693 178.730 0.963 19013 3619 1 7 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.712 0.190 19013 3620 1 7 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.208 -0.092 19013 3621 1 7 . 1 1 29 29 TYR N N 29 119.687 119.687 117.713 1.974 19013 3622 1 7 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.313 -0.391 19013 3623 1 7 . 1 1 29 29 TYR C C 29 178.234 178.234 177.058 1.176 19013 3624 1 7 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.064 0.072 19013 3625 1 7 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.997 -1.621 19013 3626 1 7 . 1 1 30 30 PHE N N 30 115.353 115.353 118.315 -2.962 19013 3627 1 7 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.788 -0.859 19013 3628 1 7 . 1 1 30 30 PHE C C 30 180.031 180.031 176.863 3.168 19013 3629 1 7 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.776 2.039 19013 3630 1 7 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.967 -1.016 19013 3631 1 7 . 1 1 31 31 ALA N N 31 125.929 125.929 123.089 2.840 19013 3632 1 7 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.375 0.087 19013 3633 1 7 . 1 1 31 31 ALA C C 31 178.235 178.235 179.620 -1.385 19013 3634 1 7 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.806 -1.012 19013 3635 1 7 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.258 -0.776 19013 3636 1 7 . 1 1 32 32 GLN N N 32 113.541 113.541 117.211 -3.670 19013 3637 1 7 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.961 -0.005 19013 3638 1 7 . 1 1 32 32 GLN C C 32 177.465 177.465 177.641 -0.176 19013 3639 1 7 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.032 -1.073 19013 3640 1 7 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.200 0.885 19013 3641 1 7 . 1 1 33 33 PHE N N 33 114.638 114.638 116.736 -2.098 19013 3642 1 7 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.544 0.106 19013 3643 1 7 . 1 1 33 33 PHE C C 33 175.848 175.848 176.337 -0.489 19013 3644 1 7 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.965 -2.899 19013 3645 1 7 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.734 -2.804 19013 3646 1 7 . 1 1 34 34 GLY N N 34 106.452 106.452 103.859 2.593 19013 3647 1 7 . 1 1 34 34 GLY C C 34 170.428 170.428 172.429 -2.001 19013 3648 1 7 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.905 -0.341 19013 3649 1 7 . 1 1 35 35 GLU N N 35 118.228 118.228 118.982 -0.754 19013 3650 1 7 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.374 -0.208 19013 3651 1 7 . 1 1 35 35 GLU C C 35 175.939 175.939 175.027 0.912 19013 3652 1 7 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.681 0.704 19013 3653 1 7 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.447 -0.332 19013 3654 1 7 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.111 0.453 19013 3655 1 7 . 1 1 36 36 ILE C C 36 176.530 176.530 177.115 -0.585 19013 3656 1 7 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.814 -1.967 19013 3657 1 7 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.465 2.129 19013 3658 1 7 . 1 1 37 37 LEU N N 37 125.464 125.464 120.070 5.394 19013 3659 1 7 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.006 0.083 19013 3660 1 7 . 1 1 37 37 LEU C C 37 178.470 178.470 177.858 0.612 19013 3661 1 7 . 1 1 37 37 LEU CA C 37 57.114 57.114 58.089 -0.975 19013 3662 1 7 . 1 1 37 37 LEU CB C 37 42.176 42.176 42.570 -0.394 19013 3663 1 7 . 1 1 38 38 GLU N N 38 120.405 120.405 113.571 6.834 19013 3664 1 7 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.385 -0.206 19013 3665 1 7 . 1 1 38 38 GLU C C 38 175.620 175.620 174.451 1.169 19013 3666 1 7 . 1 1 38 38 GLU CA C 38 58.630 58.630 55.611 3.019 19013 3667 1 7 . 1 1 38 38 GLU CB C 38 29.551 29.551 29.663 -0.112 19013 3668 1 7 . 1 1 39 39 ASP N N 39 117.746 117.746 119.267 -1.521 19013 3669 1 7 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.557 -0.055 19013 3670 1 7 . 1 1 39 39 ASP C C 39 176.811 176.811 176.569 0.242 19013 3671 1 7 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.624 -0.754 19013 3672 1 7 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.367 -0.986 19013 3673 1 7 . 1 1 40 40 LEU N N 40 127.180 127.180 116.669 10.511 19013 3674 1 7 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.677 -0.367 19013 3675 1 7 . 1 1 40 40 LEU C C 40 177.950 177.950 176.493 1.457 19013 3676 1 7 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.580 -0.476 19013 3677 1 7 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.723 -1.017 19013 3678 1 7 . 1 1 41 41 GLU N N 41 120.599 120.599 119.850 0.749 19013 3679 1 7 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.348 -0.418 19013 3680 1 7 . 1 1 41 41 GLU C C 41 178.353 178.353 175.679 2.674 19013 3681 1 7 . 1 1 41 41 GLU CA C 41 59.238 59.238 55.208 4.030 19013 3682 1 7 . 1 1 41 41 GLU CB C 41 29.391 29.391 31.516 -2.125 19013 3683 1 7 . 1 1 42 42 SER N N 42 114.356 114.356 116.940 -2.584 19013 3684 1 7 . 1 1 42 42 SER HA H 42 4.209 4.209 3.881 0.328 19013 3685 1 7 . 1 1 42 42 SER C C 42 175.221 175.221 174.647 0.574 19013 3686 1 7 . 1 1 42 42 SER CA C 42 60.331 60.331 59.290 1.041 19013 3687 1 7 . 1 1 42 42 SER CB C 42 62.849 62.849 63.786 -0.937 19013 3688 1 7 . 1 1 43 43 GLU N N 43 119.711 119.711 115.392 4.319 19013 3689 1 7 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.091 0.195 19013 3690 1 7 . 1 1 43 43 GLU C C 43 176.893 176.893 175.760 1.133 19013 3691 1 7 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.886 -0.293 19013 3692 1 7 . 1 1 43 43 GLU CB C 43 30.441 30.441 27.773 2.668 19013 3693 1 7 . 1 1 44 44 LEU N N 44 117.788 117.788 117.220 0.568 19013 3694 1 7 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.517 -0.163 19013 3695 1 7 . 1 1 44 44 LEU C C 44 177.944 177.944 178.574 -0.630 19013 3696 1 7 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.073 -0.132 19013 3697 1 7 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.194 -0.819 19013 3698 1 7 . 1 1 45 45 GLY N N 45 108.349 108.349 108.135 0.214 19013 3699 1 7 . 1 1 45 45 GLY C C 45 173.791 173.791 174.473 -0.682 19013 3700 1 7 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.865 -0.228 19013 3701 1 7 . 1 1 46 46 ASP N N 46 119.869 119.869 123.018 -3.149 19013 3702 1 7 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.949 -0.260 19013 3703 1 7 . 1 1 46 46 ASP C C 46 176.628 176.628 176.308 0.320 19013 3704 1 7 . 1 1 46 46 ASP CA C 46 54.021 54.021 53.780 0.241 19013 3705 1 7 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.992 -0.896 19013 3706 1 7 . 1 1 47 47 THR N N 47 113.962 113.962 111.243 2.719 19013 3707 1 7 . 1 1 47 47 THR HA H 47 4.258 4.258 3.971 0.287 19013 3708 1 7 . 1 1 47 47 THR C C 47 175.277 175.277 175.264 0.013 19013 3709 1 7 . 1 1 47 47 THR CA C 47 62.715 62.715 63.774 -1.059 19013 3710 1 7 . 1 1 47 47 THR CB C 47 69.504 69.504 67.601 1.903 19013 3711 1 7 . 1 1 48 48 GLU N N 48 121.748 121.748 121.424 0.324 19013 3712 1 7 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.120 0.115 19013 3713 1 7 . 1 1 48 48 GLU C C 48 177.221 177.221 177.732 -0.511 19013 3714 1 7 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.991 -1.486 19013 3715 1 7 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.547 0.171 19013 3716 1 7 . 1 1 49 49 THR N N 49 113.781 113.781 109.112 4.669 19013 3717 1 7 . 1 1 49 49 THR HA H 49 4.160 4.160 4.276 -0.116 19013 3718 1 7 . 1 1 49 49 THR C C 49 174.979 174.979 174.899 0.080 19013 3719 1 7 . 1 1 49 49 THR CA C 49 62.989 62.989 63.374 -0.385 19013 3720 1 7 . 1 1 49 49 THR CB C 49 69.198 69.198 68.611 0.588 19013 3721 1 7 . 1 1 50 50 MET N N 50 121.133 121.133 119.434 1.699 19013 3722 1 7 . 1 1 50 50 MET HA H 50 4.295 4.295 4.561 -0.266 19013 3723 1 7 . 1 1 50 50 MET C C 50 175.846 175.846 175.396 0.450 19013 3724 1 7 . 1 1 50 50 MET CA C 50 55.981 55.981 55.145 0.836 19013 3725 1 7 . 1 1 50 50 MET CB C 50 32.549 32.549 33.476 -0.927 19013 3726 1 7 . 1 1 51 51 ARG N N 51 120.641 120.641 120.733 -0.092 19013 3727 1 7 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.425 -0.087 19013 3728 1 7 . 1 1 51 51 ARG C C 51 176.213 176.213 176.093 0.120 19013 3729 1 7 . 1 1 51 51 ARG CA C 51 55.879 55.879 56.415 -0.536 19013 3730 1 7 . 1 1 51 51 ARG CB C 51 30.606 30.606 30.529 0.077 19013 3731 1 7 . 1 1 52 52 THR N N 52 116.663 116.663 113.975 2.688 19013 3732 1 7 . 1 1 52 52 THR HA H 52 4.564 4.564 4.095 0.469 19013 3733 1 7 . 1 1 52 52 THR C C 52 172.814 172.814 172.816 -0.002 19013 3734 1 7 . 1 1 52 52 THR CA C 52 59.828 59.828 62.995 -3.167 19013 3735 1 7 . 1 1 52 52 THR CB C 52 69.498 69.498 67.432 2.066 19013 3736 1 7 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.436 -0.096 19013 3737 1 7 . 1 1 53 53 PRO C C 53 177.518 177.518 176.434 1.084 19013 3738 1 7 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.207 0.783 19013 3739 1 7 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.635 0.282 19013 3740 1 7 . 1 1 54 54 GLY N N 54 108.804 108.804 104.393 4.411 19013 3741 1 7 . 1 1 54 54 GLY C C 54 174.121 174.121 173.187 0.934 19013 3742 1 7 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.702 0.667 19013 3743 1 7 . 1 1 55 55 TYR N N 55 119.872 119.872 118.071 1.801 19013 3744 1 7 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.578 -0.218 19013 3745 1 7 . 1 1 55 55 TYR C C 55 175.550 175.550 173.569 1.981 19013 3746 1 7 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.225 2.283 19013 3747 1 7 . 1 1 55 55 TYR CB C 55 38.907 38.907 41.974 -3.067 19013 3748 1 7 . 1 1 56 56 PHE N N 56 121.248 121.248 116.611 4.637 19013 3749 1 7 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.908 -0.479 19013 3750 1 7 . 1 1 56 56 PHE C C 56 175.354 175.354 175.837 -0.483 19013 3751 1 7 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.633 1.506 19013 3752 1 7 . 1 1 56 56 PHE CB C 56 39.513 39.513 43.131 -3.618 19013 3753 1 7 . 1 1 57 57 PHE N N 57 121.226 121.226 118.170 3.056 19013 3754 1 7 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.626 -0.153 19013 3755 1 7 . 1 1 57 57 PHE C C 57 175.182 175.182 175.684 -0.502 19013 3756 1 7 . 1 1 57 57 PHE CA C 57 57.826 57.826 57.714 0.112 19013 3757 1 7 . 1 1 57 57 PHE CB C 57 39.529 39.529 38.915 0.614 19013 3758 1 7 . 1 1 58 58 GLN N N 58 121.160 121.160 120.401 0.759 19013 3759 1 7 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.877 0.355 19013 3760 1 7 . 1 1 58 58 GLN C C 58 175.287 175.287 176.666 -1.379 19013 3761 1 7 . 1 1 58 58 GLN CA C 58 55.406 55.406 56.295 -0.889 19013 3762 1 7 . 1 1 58 58 GLN CB C 58 29.477 29.477 27.812 1.665 19013 3763 1 7 . 1 1 59 59 GLN N N 59 120.923 120.923 121.753 -0.830 19013 3764 1 7 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.197 0.089 19013 3765 1 7 . 1 1 59 59 GLN C C 59 175.318 175.318 176.571 -1.253 19013 3766 1 7 . 1 1 59 59 GLN CA C 59 55.297 55.297 57.180 -1.883 19013 3767 1 7 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.868 0.551 19013 3768 1 7 . 1 1 60 60 ALA N N 60 126.737 126.737 121.113 5.624 19013 3769 1 7 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.181 0.355 19013 3770 1 7 . 1 1 60 60 ALA C C 60 175.924 175.924 175.866 0.058 19013 3771 1 7 . 1 1 60 60 ALA CA C 60 50.682 50.682 52.233 -1.552 19013 3772 1 7 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.358 0.815 19013 3773 1 7 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.369 0.035 19013 3774 1 7 . 1 1 61 61 PRO C C 61 176.902 176.902 175.974 0.928 19013 3775 1 7 . 1 1 61 61 PRO CA C 61 63.549 63.549 63.804 -0.255 19013 3776 1 7 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.488 0.493 19013 3777 1 7 . 1 1 62 62 ASN N N 62 116.490 116.490 117.969 -1.479 19013 3778 1 7 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.810 -0.210 19013 3779 1 7 . 1 1 62 62 ASN C C 62 174.942 174.942 173.508 1.434 19013 3780 1 7 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.412 -0.113 19013 3781 1 7 . 1 1 62 62 ASN CB C 62 38.021 38.021 39.200 -1.179 19013 3782 1 7 . 1 1 63 63 ARG N N 63 120.117 120.117 121.893 -1.776 19013 3783 1 7 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.716 -0.355 19013 3784 1 7 . 1 1 63 63 ARG C C 63 175.853 175.853 175.199 0.654 19013 3785 1 7 . 1 1 63 63 ARG CA C 63 55.555 55.555 55.837 -0.282 19013 3786 1 7 . 1 1 63 63 ARG CB C 63 31.085 31.085 31.209 -0.124 19013 3787 1 7 . 1 1 64 64 ARG N N 64 123.061 123.061 123.323 -0.262 19013 3788 1 7 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.424 -0.124 19013 3789 1 7 . 1 1 64 64 ARG C C 64 175.995 175.995 175.061 0.934 19013 3790 1 7 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.475 -0.472 19013 3791 1 7 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.634 -0.155 19013 3792 1 7 . 1 1 65 65 ARG N N 65 123.698 123.698 114.099 9.599 19013 3793 1 7 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.962 -0.386 19013 3794 1 7 . 1 1 65 65 ARG C C 65 176.085 176.085 175.611 0.474 19013 3795 1 7 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.418 1.030 19013 3796 1 7 . 1 1 65 65 ARG CB C 65 31.155 31.155 31.844 -0.689 19013 3797 1 7 . 1 1 66 66 ILE N N 66 120.928 120.928 116.434 4.494 19013 3798 1 7 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.000 0.435 19013 3799 1 7 . 1 1 66 66 ILE C C 66 175.488 175.488 175.637 -0.149 19013 3800 1 7 . 1 1 66 66 ILE CA C 66 60.214 60.214 63.142 -2.928 19013 3801 1 7 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.345 1.809 19013 3802 1 7 . 1 1 67 67 SER N N 67 119.534 119.534 112.657 6.877 19013 3803 1 7 . 1 1 67 67 SER HA H 67 4.431 4.431 4.386 0.045 19013 3804 1 7 . 1 1 67 67 SER C C 67 174.034 174.034 173.047 0.987 19013 3805 1 7 . 1 1 67 67 SER CA C 67 58.599 58.599 58.817 -0.218 19013 3806 1 7 . 1 1 67 67 SER CB C 67 63.499 63.499 63.860 -0.361 19013 3807 1 7 . 1 1 68 68 ARG N N 68 124.936 124.936 123.391 1.545 19013 3808 1 7 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.563 0.012 19013 3809 1 7 . 1 1 68 68 ARG C C 68 175.967 175.967 174.539 1.428 19013 3810 1 7 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.308 0.146 19013 3811 1 7 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.731 0.742 19013 3812 1 7 . 1 1 69 69 GLU N N 69 136.462 136.462 123.555 12.907 19013 3813 1 7 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.327 0.178 19013 3814 1 7 . 1 1 69 69 GLU C C 69 174.852 174.852 175.050 -0.198 19013 3815 1 7 . 1 1 69 69 GLU CA C 69 56.194 56.194 55.845 0.349 19013 3816 1 7 . 1 1 69 69 GLU CB C 69 29.801 29.801 31.213 -1.412 19013 3817 1 7 . 1 1 70 70 HIS N N 70 120.728 120.728 118.527 2.201 19013 3818 1 7 . 1 1 70 70 HIS HA H 70 3.736 3.736 3.984 -0.248 19013 3819 1 7 . 1 1 70 70 HIS C C 70 171.455 171.455 173.214 -1.759 19013 3820 1 7 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.196 0.379 19013 3821 1 7 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.129 -0.013 19013 3822 1 7 . 1 1 71 71 GLY N N 71 108.698 108.698 110.404 -1.706 19013 3823 1 7 . 1 1 71 71 GLY C C 71 174.611 174.611 173.993 0.618 19013 3824 1 7 . 1 1 71 71 GLY CA C 71 43.064 43.064 45.579 -2.515 19013 3825 1 7 . 1 1 72 72 ARG N N 72 123.350 123.350 119.939 3.411 19013 3826 1 7 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.544 -0.349 19013 3827 1 7 . 1 1 72 72 ARG C C 72 178.495 178.495 177.006 1.489 19013 3828 1 7 . 1 1 72 72 ARG CA C 72 60.196 60.196 54.769 5.427 19013 3829 1 7 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.420 0.402 19013 3830 1 7 . 1 1 73 73 THR N N 73 103.467 103.467 114.441 -10.974 19013 3831 1 7 . 1 1 73 73 THR HA H 73 4.196 4.196 4.342 -0.146 19013 3832 1 7 . 1 1 73 73 THR C C 73 171.300 171.300 173.302 -2.002 19013 3833 1 7 . 1 1 73 73 THR CA C 73 59.336 59.336 62.460 -3.124 19013 3834 1 7 . 1 1 73 73 THR CB C 73 69.837 69.837 67.642 2.195 19013 3835 1 7 . 1 1 74 74 TRP N N 74 112.582 112.582 120.660 -8.078 19013 3836 1 7 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.394 0.313 19013 3837 1 7 . 1 1 74 74 TRP C C 74 176.667 176.667 175.070 1.597 19013 3838 1 7 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.572 0.310 19013 3839 1 7 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.865 0.995 19013 3840 1 7 . 1 1 75 75 THR N N 75 114.629 114.629 119.042 -4.413 19013 3841 1 7 . 1 1 75 75 THR HA H 75 4.594 4.594 4.757 -0.163 19013 3842 1 7 . 1 1 75 75 THR C C 75 170.237 170.237 173.649 -3.412 19013 3843 1 7 . 1 1 75 75 THR CA C 75 61.354 61.354 61.571 -0.217 19013 3844 1 7 . 1 1 75 75 THR CB C 75 69.887 69.887 72.014 -2.127 19013 3845 1 7 . 1 1 76 76 LYS N N 76 130.596 130.596 130.058 0.538 19013 3846 1 7 . 1 1 76 76 LYS HA H 76 5.722 5.722 4.895 0.827 19013 3847 1 7 . 1 1 76 76 LYS C C 76 177.934 177.934 175.218 2.716 19013 3848 1 7 . 1 1 76 76 LYS CA C 76 56.040 56.040 56.260 -0.220 19013 3849 1 7 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.612 1.558 19013 3850 1 7 . 1 1 77 77 LEU N N 77 128.006 128.006 129.153 -1.147 19013 3851 1 7 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.696 -0.409 19013 3852 1 7 . 1 1 77 77 LEU C C 77 174.557 174.557 174.912 -0.355 19013 3853 1 7 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.749 1.549 19013 3854 1 7 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.943 1.157 19013 3855 1 7 . 1 1 78 78 THR N N 78 123.666 123.666 124.309 -0.643 19013 3856 1 7 . 1 1 78 78 THR HA H 78 4.435 4.435 4.578 -0.143 19013 3857 1 7 . 1 1 78 78 THR C C 78 174.067 174.067 174.149 -0.082 19013 3858 1 7 . 1 1 78 78 THR CA C 78 62.500 62.500 61.965 0.534 19013 3859 1 7 . 1 1 78 78 THR CB C 78 67.902 67.902 68.929 -1.027 19013 3860 1 7 . 1 1 79 79 TYR N N 79 125.290 125.290 126.369 -1.079 19013 3861 1 7 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.202 0.750 19013 3862 1 7 . 1 1 79 79 TYR C C 79 176.523 176.523 177.901 -1.378 19013 3863 1 7 . 1 1 79 79 TYR CA C 79 59.379 59.379 61.531 -2.152 19013 3864 1 7 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.678 1.141 19013 3865 1 7 . 1 1 80 80 ALA N N 80 121.971 121.971 119.706 2.265 19013 3866 1 7 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.955 0.105 19013 3867 1 7 . 1 1 80 80 ALA C C 80 177.255 177.255 176.312 0.943 19013 3868 1 7 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.631 0.299 19013 3869 1 7 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.279 1.907 19013 3870 1 7 . 1 1 81 81 ASN N N 81 112.786 112.786 118.491 -5.705 19013 3871 1 7 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.720 0.377 19013 3872 1 7 . 1 1 81 81 ASN C C 81 175.438 175.438 176.074 -0.636 19013 3873 1 7 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.806 -1.318 19013 3874 1 7 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.167 2.263 19013 3875 1 7 . 1 1 82 82 HIS N N 82 123.560 123.560 124.745 -1.185 19013 3876 1 7 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.293 -0.006 19013 3877 1 7 . 1 1 82 82 HIS C C 82 176.494 176.494 177.325 -0.831 19013 3878 1 7 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.315 -1.224 19013 3879 1 7 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.225 -1.662 19013 3880 1 7 . 1 1 83 83 SER N N 83 114.623 114.623 114.230 0.393 19013 3881 1 7 . 1 1 83 83 SER HA H 83 4.095 4.095 4.272 -0.177 19013 3882 1 7 . 1 1 83 83 SER C C 83 177.619 177.619 176.747 0.872 19013 3883 1 7 . 1 1 83 83 SER CA C 83 61.637 61.637 61.152 0.485 19013 3884 1 7 . 1 1 83 83 SER CB C 83 61.644 61.644 62.831 -1.187 19013 3885 1 7 . 1 1 84 84 SER N N 84 120.863 120.863 116.170 4.693 19013 3886 1 7 . 1 1 84 84 SER HA H 84 3.935 3.935 4.306 -0.371 19013 3887 1 7 . 1 1 84 84 SER C C 84 173.466 173.466 175.757 -2.291 19013 3888 1 7 . 1 1 84 84 SER CA C 84 62.250 62.250 60.203 2.046 19013 3889 1 7 . 1 1 84 84 SER CB C 84 62.700 62.700 63.055 -0.355 19013 3890 1 7 . 1 1 85 85 TYR N N 85 122.263 122.263 123.879 -1.616 19013 3891 1 7 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.837 -0.068 19013 3892 1 7 . 1 1 85 85 TYR C C 85 175.010 175.010 177.598 -2.588 19013 3893 1 7 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.331 -0.658 19013 3894 1 7 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.304 -0.680 19013 3895 1 7 . 1 1 86 86 LEU N N 86 117.366 117.366 118.632 -1.266 19013 3896 1 7 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.770 -0.233 19013 3897 1 7 . 1 1 86 86 LEU C C 86 179.942 179.942 178.906 1.036 19013 3898 1 7 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.115 0.154 19013 3899 1 7 . 1 1 86 86 LEU CB C 86 41.694 41.694 39.950 1.744 19013 3900 1 7 . 1 1 87 87 ARG N N 87 118.578 118.578 119.796 -1.218 19013 3901 1 7 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.962 -0.114 19013 3902 1 7 . 1 1 87 87 ARG C C 87 178.784 178.784 178.062 0.722 19013 3903 1 7 . 1 1 87 87 ARG CA C 87 57.441 57.441 59.054 -1.613 19013 3904 1 7 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.979 -1.038 19013 3905 1 7 . 1 1 88 88 ALA N N 88 123.868 123.868 119.587 4.281 19013 3906 1 7 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.113 -0.570 19013 3907 1 7 . 1 1 88 88 ALA C C 88 179.517 179.517 178.011 1.506 19013 3908 1 7 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.263 2.151 19013 3909 1 7 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.435 -0.293 19013 3910 1 7 . 1 1 89 89 LEU N N 89 114.573 114.573 117.368 -2.795 19013 3911 1 7 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.211 -0.287 19013 3912 1 7 . 1 1 89 89 LEU C C 89 180.088 180.088 178.323 1.765 19013 3913 1 7 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.874 2.542 19013 3914 1 7 . 1 1 89 89 LEU CB C 89 41.886 41.886 40.993 0.893 19013 3915 1 7 . 1 1 90 90 ARG N N 90 116.735 116.735 119.351 -2.616 19013 3916 1 7 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.232 -0.100 19013 3917 1 7 . 1 1 90 90 ARG C C 90 177.429 177.429 175.020 2.409 19013 3918 1 7 . 1 1 90 90 ARG CA C 90 57.799 57.799 55.626 2.173 19013 3919 1 7 . 1 1 90 90 ARG CB C 90 29.834 29.834 27.799 2.035 19013 3920 1 7 . 1 1 91 91 GLU N N 91 115.787 115.787 121.610 -5.823 19013 3921 1 7 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.187 -0.040 19013 3922 1 7 . 1 1 91 91 GLU C C 91 176.303 176.303 175.257 1.046 19013 3923 1 7 . 1 1 91 91 GLU CA C 91 55.336 55.336 56.008 -0.672 19013 3924 1 7 . 1 1 91 91 GLU CB C 91 29.705 29.705 28.724 0.981 19013 3925 1 7 . 1 1 92 92 HIS N N 92 118.997 118.997 122.482 -3.485 19013 3926 1 7 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.689 -0.418 19013 3927 1 7 . 1 1 92 92 HIS C C 92 176.823 176.823 176.091 0.732 19013 3928 1 7 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.435 3.018 19013 3929 1 7 . 1 1 92 92 HIS CB C 92 30.812 30.812 31.194 -0.382 19013 3930 1 7 . 1 1 93 93 GLY N N 93 116.944 116.944 108.329 8.615 19013 3931 1 7 . 1 1 93 93 GLY C C 93 174.512 174.512 174.153 0.359 19013 3932 1 7 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.301 -0.325 19013 3933 1 7 . 1 1 94 94 THR N N 94 117.838 117.838 119.807 -1.969 19013 3934 1 7 . 1 1 94 94 THR HA H 94 4.059 4.059 4.510 -0.451 19013 3935 1 7 . 1 1 94 94 THR C C 94 172.656 172.656 172.953 -0.297 19013 3936 1 7 . 1 1 94 94 THR CA C 94 63.330 63.330 62.605 0.725 19013 3937 1 7 . 1 1 94 94 THR CB C 94 69.936 69.936 68.159 1.777 19013 3938 1 7 . 1 1 95 95 ILE N N 95 124.155 124.155 127.176 -3.021 19013 3939 1 7 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.661 -0.273 19013 3940 1 7 . 1 1 95 95 ILE C C 95 175.534 175.534 174.861 0.673 19013 3941 1 7 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.430 -0.653 19013 3942 1 7 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.983 -3.993 19013 3943 1 7 . 1 1 96 96 TYR N N 96 130.370 130.370 128.155 2.215 19013 3944 1 7 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.824 -0.261 19013 3945 1 7 . 1 1 96 96 TYR C C 96 174.539 174.539 175.860 -1.321 19013 3946 1 7 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.888 -0.432 19013 3947 1 7 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.003 -0.276 19013 3948 1 7 . 1 1 97 97 CYS N N 97 123.936 123.936 126.403 -2.467 19013 3949 1 7 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.921 -0.263 19013 3950 1 7 . 1 1 97 97 CYS C C 97 175.798 175.798 175.344 0.454 19013 3951 1 7 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.605 1.216 19013 3952 1 7 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.708 -1.229 19013 3953 1 7 . 1 1 98 98 GLY N N 98 103.268 103.268 105.731 -2.463 19013 3954 1 7 . 1 1 98 98 GLY C C 98 173.270 173.270 172.973 0.297 19013 3955 1 7 . 1 1 98 98 GLY CA C 98 45.312 45.312 45.023 0.290 19013 3956 1 7 . 1 1 99 99 ALA N N 99 123.511 123.511 122.718 0.793 19013 3957 1 7 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.712 -0.017 19013 3958 1 7 . 1 1 99 99 ALA C C 99 175.215 175.215 175.383 -0.168 19013 3959 1 7 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.942 -0.164 19013 3960 1 7 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.747 0.008 19013 3961 1 7 . 1 1 100 100 ALA N N 100 124.957 124.957 125.848 -0.891 19013 3962 1 7 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.116 -0.483 19013 3963 1 7 . 1 1 100 100 ALA C C 100 177.477 177.477 177.765 -0.288 19013 3964 1 7 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.665 0.858 19013 3965 1 7 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.299 -1.130 19013 3966 1 7 . 1 1 101 101 ILE N N 101 121.598 121.598 121.031 0.567 19013 3967 1 7 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.852 -0.397 19013 3968 1 7 . 1 1 101 101 ILE C C 101 175.956 175.956 175.220 0.736 19013 3969 1 7 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.065 -0.100 19013 3970 1 7 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.479 1.356 19013 3971 1 7 . 1 1 102 102 GLY N N 102 113.717 113.717 111.837 1.880 19013 3972 1 7 . 1 1 102 102 GLY C C 102 172.857 172.857 172.576 0.281 19013 3973 1 7 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.337 -0.893 19013 3974 1 7 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.468 0.066 19013 3975 1 7 . 1 1 103 103 CYS C C 103 172.624 172.624 174.210 -1.586 19013 3976 1 7 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.593 1.110 19013 3977 1 7 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.636 -2.293 19013 3978 1 7 . 1 1 104 104 VAL N N 104 118.519 118.519 120.509 -1.990 19013 3979 1 7 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.878 0.027 19013 3980 1 7 . 1 1 104 104 VAL C C 104 172.705 172.705 174.190 -1.485 19013 3981 1 7 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.720 -0.307 19013 3982 1 7 . 1 1 104 104 VAL CB C 104 33.103 33.103 34.293 -1.190 19013 3983 1 7 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.710 -0.095 19013 3984 1 7 . 1 1 105 105 PRO C C 105 176.557 176.557 176.043 0.514 19013 3985 1 7 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.086 1.468 19013 3986 1 7 . 1 1 105 105 PRO CB C 105 32.666 32.666 29.577 3.089 19013 3987 1 7 . 1 1 106 106 TYR N N 106 121.923 121.923 119.675 2.248 19013 3988 1 7 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.104 -0.274 19013 3989 1 7 . 1 1 106 106 TYR C C 106 174.643 174.643 173.413 1.230 19013 3990 1 7 . 1 1 106 106 TYR CA C 106 61.018 61.018 58.874 2.144 19013 3991 1 7 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.291 1.097 19013 3992 1 7 . 1 1 107 107 LYS N N 107 124.087 124.087 127.696 -3.609 19013 3993 1 7 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.522 -0.341 19013 3994 1 7 . 1 1 107 107 LYS C C 107 176.443 176.443 176.026 0.417 19013 3995 1 7 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.477 0.300 19013 3996 1 7 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.012 0.913 19013 3997 1 7 . 1 1 108 108 HIS N N 108 124.171 124.171 124.506 -0.335 19013 3998 1 7 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.998 -0.038 19013 3999 1 7 . 1 1 108 108 HIS C C 108 176.998 176.998 176.359 0.639 19013 4000 1 7 . 1 1 108 108 HIS CA C 108 59.599 59.599 59.374 0.225 19013 4001 1 7 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.556 -1.008 19013 4002 1 7 . 1 1 109 109 GLU N N 109 118.941 118.941 120.889 -1.948 19013 4003 1 7 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.979 -0.066 19013 4004 1 7 . 1 1 109 109 GLU C C 109 177.738 177.738 178.913 -1.175 19013 4005 1 7 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.759 0.578 19013 4006 1 7 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.915 -0.196 19013 4007 1 7 . 1 1 110 110 LEU N N 110 118.555 118.555 120.846 -2.291 19013 4008 1 7 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.872 0.129 19013 4009 1 7 . 1 1 110 110 LEU C C 110 177.872 177.872 178.180 -0.308 19013 4010 1 7 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.563 -1.190 19013 4011 1 7 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.372 0.583 19013 4012 1 7 . 1 1 111 111 ILE N N 111 117.129 117.129 118.780 -1.651 19013 4013 1 7 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.278 -0.308 19013 4014 1 7 . 1 1 111 111 ILE C C 111 178.773 178.773 178.397 0.376 19013 4015 1 7 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.825 -1.087 19013 4016 1 7 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.892 -0.474 19013 4017 1 7 . 1 1 112 112 SER N N 112 116.165 116.165 117.364 -1.199 19013 4018 1 7 . 1 1 112 112 SER HA H 112 4.000 4.000 4.165 -0.165 19013 4019 1 7 . 1 1 112 112 SER C C 112 176.313 176.313 176.990 -0.677 19013 4020 1 7 . 1 1 112 112 SER CA C 112 61.433 61.433 61.600 -0.167 19013 4021 1 7 . 1 1 112 112 SER CB C 112 62.188 62.188 62.702 -0.514 19013 4022 1 7 . 1 1 113 113 GLU N N 113 120.732 120.732 121.788 -1.056 19013 4023 1 7 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.063 -0.077 19013 4024 1 7 . 1 1 113 113 GLU C C 113 178.799 178.799 179.113 -0.314 19013 4025 1 7 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.961 -0.440 19013 4026 1 7 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.425 -0.043 19013 4027 1 7 . 1 1 114 114 LEU N N 114 119.452 119.452 118.733 0.719 19013 4028 1 7 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.849 -0.126 19013 4029 1 7 . 1 1 114 114 LEU C C 114 179.184 179.184 179.114 0.070 19013 4030 1 7 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.543 -0.859 19013 4031 1 7 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.305 -1.318 19013 4032 1 7 . 1 1 115 115 SER N N 115 112.708 112.708 114.210 -1.502 19013 4033 1 7 . 1 1 115 115 SER HA H 115 4.615 4.615 4.244 0.371 19013 4034 1 7 . 1 1 115 115 SER C C 115 174.994 174.994 175.947 -0.953 19013 4035 1 7 . 1 1 115 115 SER CA C 115 59.706 59.706 61.007 -1.301 19013 4036 1 7 . 1 1 115 115 SER CB C 115 63.512 63.512 63.350 0.162 19013 4037 1 7 . 1 1 116 116 ARG N N 116 121.600 121.600 120.739 0.861 19013 4038 1 7 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.108 0.133 19013 4039 1 7 . 1 1 116 116 ARG C C 116 176.893 176.893 176.727 0.166 19013 4040 1 7 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.759 -0.737 19013 4041 1 7 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.835 -0.672 19013 4042 1 7 . 1 1 117 117 GLU N N 117 120.450 120.450 115.497 4.953 19013 4043 1 7 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.927 0.313 19013 4044 1 7 . 1 1 117 117 GLU C C 117 177.260 177.260 175.509 1.751 19013 4045 1 7 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.303 -0.261 19013 4046 1 7 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.570 2.193 19013 4047 1 7 . 1 1 118 118 GLY N N 118 108.905 108.905 106.875 2.030 19013 4048 1 7 . 1 1 118 118 GLY C C 118 174.225 174.225 172.091 2.134 19013 4049 1 7 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.845 0.538 19013 4050 1 7 . 1 1 119 119 HIS N N 119 117.625 117.625 118.931 -1.306 19013 4051 1 7 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.684 -0.025 19013 4052 1 7 . 1 1 119 119 HIS C C 119 174.439 174.439 174.360 0.079 19013 4053 1 7 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.307 0.105 19013 4054 1 7 . 1 1 119 119 HIS CB C 119 28.904 28.904 32.829 -3.925 19013 4055 1 7 . 1 1 120 120 HIS N N 120 119.015 119.015 121.359 -2.344 19013 4056 1 7 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.769 -0.097 19013 4057 1 7 . 1 1 120 120 HIS C C 120 174.259 174.259 174.796 -0.537 19013 4058 1 7 . 1 1 120 120 HIS CA C 120 55.321 55.321 56.219 -0.898 19013 4059 1 7 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.487 -0.389 19013 4060 1 7 . 1 1 121 121 HIS N N 121 119.872 119.872 122.170 -2.298 19013 4061 1 7 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.656 0.024 19013 4062 1 7 . 1 1 121 121 HIS C C 121 174.245 174.245 175.745 -1.500 19013 4063 1 7 . 1 1 121 121 HIS CA C 121 55.389 55.389 56.035 -0.646 19013 4064 1 7 . 1 1 121 121 HIS CB C 121 29.259 29.259 30.570 -1.310 19013 4065 1 7 . 1 1 122 122 HIS N N 122 120.597 120.597 119.937 0.660 19013 4066 1 7 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.556 0.131 19013 4067 1 7 . 1 1 122 122 HIS C C 122 174.101 174.101 175.528 -1.427 19013 4068 1 7 . 1 1 122 122 HIS CA C 122 55.386 55.386 57.998 -2.612 19013 4069 1 7 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.500 -1.151 19013 4070 1 7 . 1 1 123 123 HIS N N 123 120.680 120.680 114.982 5.698 19013 4071 1 7 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.675 -0.019 19013 4072 1 7 . 1 1 123 123 HIS C C 123 173.591 173.591 174.065 -0.474 19013 4073 1 7 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.997 -0.434 19013 4074 1 7 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.250 -0.794 19013 4075 1 8 . 1 1 2 2 SER HA H 2 4.167 4.167 4.795 -0.628 19013 4076 1 8 . 1 1 2 2 SER C C 2 170.960 170.960 174.974 -4.014 19013 4077 1 8 . 1 1 2 2 SER CA C 2 57.139 57.139 57.644 -0.505 19013 4078 1 8 . 1 1 2 2 SER CB C 2 63.027 63.027 64.048 -1.021 19013 4079 1 8 . 1 1 3 3 LEU N N 3 123.102 123.102 126.852 -3.750 19013 4080 1 8 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.299 0.116 19013 4081 1 8 . 1 1 3 3 LEU C C 3 177.886 177.886 177.842 0.044 19013 4082 1 8 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.567 0.058 19013 4083 1 8 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.506 -0.172 19013 4084 1 8 . 1 1 4 4 GLY N N 4 110.546 110.546 108.645 1.901 19013 4085 1 8 . 1 1 4 4 GLY C C 4 174.473 174.473 173.562 0.911 19013 4086 1 8 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.866 0.404 19013 4087 1 8 . 1 1 5 5 SER N N 5 115.839 115.839 118.016 -2.177 19013 4088 1 8 . 1 1 5 5 SER HA H 5 4.472 4.472 4.382 0.090 19013 4089 1 8 . 1 1 5 5 SER C C 5 175.085 175.085 174.774 0.311 19013 4090 1 8 . 1 1 5 5 SER CA C 5 58.419 58.419 57.421 0.998 19013 4091 1 8 . 1 1 5 5 SER CB C 5 63.648 63.648 64.725 -1.077 19013 4092 1 8 . 1 1 6 6 GLU N N 6 122.855 122.855 119.777 3.078 19013 4093 1 8 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.336 0.004 19013 4094 1 8 . 1 1 6 6 GLU C C 6 176.767 176.767 175.621 1.146 19013 4095 1 8 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.406 0.614 19013 4096 1 8 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.539 0.246 19013 4097 1 8 . 1 1 7 7 SER N N 7 116.046 116.046 115.811 0.235 19013 4098 1 8 . 1 1 7 7 SER HA H 7 4.444 4.444 4.841 -0.397 19013 4099 1 8 . 1 1 7 7 SER C C 7 174.946 174.946 173.915 1.031 19013 4100 1 8 . 1 1 7 7 SER CA C 7 58.587 58.587 57.651 0.936 19013 4101 1 8 . 1 1 7 7 SER CB C 7 63.645 63.645 63.306 0.339 19013 4102 1 8 . 1 1 8 8 GLU N N 8 122.758 122.758 128.596 -5.838 19013 4103 1 8 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.593 -0.221 19013 4104 1 8 . 1 1 8 8 GLU C C 8 176.929 176.929 177.287 -0.358 19013 4105 1 8 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.126 0.776 19013 4106 1 8 . 1 1 8 8 GLU CB C 8 29.837 29.837 30.384 -0.546 19013 4107 1 8 . 1 1 9 9 THR N N 9 113.221 113.221 113.467 -0.246 19013 4108 1 8 . 1 1 9 9 THR HA H 9 4.295 4.295 4.079 0.216 19013 4109 1 8 . 1 1 9 9 THR C C 9 175.371 175.371 175.209 0.162 19013 4110 1 8 . 1 1 9 9 THR CA C 9 62.279 62.279 64.555 -2.276 19013 4111 1 8 . 1 1 9 9 THR CB C 9 69.828 69.828 68.755 1.073 19013 4112 1 8 . 1 1 10 10 GLY N N 10 110.774 110.774 109.627 1.147 19013 4113 1 8 . 1 1 10 10 GLY C C 10 173.283 173.283 173.302 -0.019 19013 4114 1 8 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.809 -0.078 19013 4115 1 8 . 1 1 11 11 ASN N N 11 116.215 116.215 122.430 -6.215 19013 4116 1 8 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.612 -0.345 19013 4117 1 8 . 1 1 11 11 ASN C C 11 174.352 174.352 174.306 0.046 19013 4118 1 8 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.245 0.223 19013 4119 1 8 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.723 0.760 19013 4120 1 8 . 1 1 12 12 ALA N N 12 121.979 121.979 122.358 -0.379 19013 4121 1 8 . 1 1 12 12 ALA HA H 12 5.985 5.985 4.758 1.227 19013 4122 1 8 . 1 1 12 12 ALA C C 12 177.325 177.325 175.839 1.486 19013 4123 1 8 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.303 -0.766 19013 4124 1 8 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.451 1.379 19013 4125 1 8 . 1 1 13 13 VAL N N 13 116.191 116.191 117.635 -1.444 19013 4126 1 8 . 1 1 13 13 VAL HA H 13 5.326 5.326 4.771 0.555 19013 4127 1 8 . 1 1 13 13 VAL C C 13 175.275 175.275 174.174 1.101 19013 4128 1 8 . 1 1 13 13 VAL CA C 13 58.762 58.762 60.214 -1.452 19013 4129 1 8 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.450 -0.289 19013 4130 1 8 . 1 1 14 14 VAL N N 14 119.334 119.334 121.421 -2.087 19013 4131 1 8 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.987 0.251 19013 4132 1 8 . 1 1 14 14 VAL C C 14 174.716 174.716 175.038 -0.322 19013 4133 1 8 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.557 0.739 19013 4134 1 8 . 1 1 14 14 VAL CB C 14 34.380 34.380 33.545 0.835 19013 4135 1 8 . 1 1 15 15 VAL N N 15 127.812 127.812 128.307 -0.495 19013 4136 1 8 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.061 0.247 19013 4137 1 8 . 1 1 15 15 VAL C C 15 176.256 176.256 175.412 0.844 19013 4138 1 8 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.435 -0.280 19013 4139 1 8 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.371 0.930 19013 4140 1 8 . 1 1 16 16 PHE N N 16 122.243 122.243 121.514 0.729 19013 4141 1 8 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.287 0.632 19013 4142 1 8 . 1 1 16 16 PHE C C 16 174.623 174.623 174.859 -0.236 19013 4143 1 8 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.024 1.111 19013 4144 1 8 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.984 0.109 19013 4145 1 8 . 1 1 17 17 GLY N N 17 106.894 106.894 106.182 0.712 19013 4146 1 8 . 1 1 17 17 GLY C C 17 174.023 174.023 173.515 0.508 19013 4147 1 8 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.430 -0.469 19013 4148 1 8 . 1 1 18 18 TYR N N 18 115.205 115.205 117.999 -2.794 19013 4149 1 8 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.154 -0.288 19013 4150 1 8 . 1 1 18 18 TYR C C 18 173.847 173.847 173.449 0.398 19013 4151 1 8 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.515 -2.350 19013 4152 1 8 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.548 0.283 19013 4153 1 8 . 1 1 19 19 ARG N N 19 116.814 116.814 117.623 -0.809 19013 4154 1 8 . 1 1 19 19 ARG HA H 19 4.455 4.455 5.039 -0.584 19013 4155 1 8 . 1 1 19 19 ARG C C 19 177.198 177.198 175.933 1.265 19013 4156 1 8 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.039 0.888 19013 4157 1 8 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.546 -2.825 19013 4158 1 8 . 1 1 20 20 GLU N N 20 125.261 125.261 122.235 3.026 19013 4159 1 8 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.240 -0.183 19013 4160 1 8 . 1 1 20 20 GLU C C 20 180.643 180.643 175.327 5.316 19013 4161 1 8 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.286 2.243 19013 4162 1 8 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.047 1.816 19013 4163 1 8 . 1 1 21 21 ALA N N 21 119.760 119.760 126.792 -7.032 19013 4164 1 8 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.254 0.100 19013 4165 1 8 . 1 1 21 21 ALA C C 21 179.291 179.291 177.523 1.768 19013 4166 1 8 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.009 1.671 19013 4167 1 8 . 1 1 21 21 ALA CB C 21 19.410 19.410 19.980 -0.570 19013 4168 1 8 . 1 1 22 22 ILE N N 22 109.751 109.751 117.486 -7.735 19013 4169 1 8 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.243 0.932 19013 4170 1 8 . 1 1 22 22 ILE C C 22 175.636 175.636 176.564 -0.928 19013 4171 1 8 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.989 -0.757 19013 4172 1 8 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.084 1.361 19013 4173 1 8 . 1 1 23 23 THR N N 23 118.763 118.763 118.465 0.298 19013 4174 1 8 . 1 1 23 23 THR HA H 23 3.375 3.375 3.761 -0.386 19013 4175 1 8 . 1 1 23 23 THR C C 23 175.159 175.159 176.263 -1.104 19013 4176 1 8 . 1 1 23 23 THR CA C 23 68.267 68.267 66.771 1.496 19013 4177 1 8 . 1 1 23 23 THR CB C 23 69.564 69.564 68.446 1.118 19013 4178 1 8 . 1 1 24 24 LYS N N 24 118.723 118.723 118.797 -0.074 19013 4179 1 8 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.015 -0.352 19013 4180 1 8 . 1 1 24 24 LYS C C 24 178.421 178.421 179.352 -0.931 19013 4181 1 8 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.701 2.353 19013 4182 1 8 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.464 0.317 19013 4183 1 8 . 1 1 25 25 GLN N N 25 118.276 118.276 118.931 -0.655 19013 4184 1 8 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.192 -0.149 19013 4185 1 8 . 1 1 25 25 GLN C C 25 179.248 179.248 178.496 0.752 19013 4186 1 8 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.651 1.029 19013 4187 1 8 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.352 -1.107 19013 4188 1 8 . 1 1 26 26 ILE N N 26 122.000 122.000 120.064 1.936 19013 4189 1 8 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.319 0.450 19013 4190 1 8 . 1 1 26 26 ILE C C 26 177.797 177.797 177.977 -0.180 19013 4191 1 8 . 1 1 26 26 ILE CA C 26 62.178 62.178 64.299 -2.121 19013 4192 1 8 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.548 -1.957 19013 4193 1 8 . 1 1 27 27 LEU N N 27 119.685 119.685 121.330 -1.645 19013 4194 1 8 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.947 -0.029 19013 4195 1 8 . 1 1 27 27 LEU C C 27 178.173 178.173 177.901 0.272 19013 4196 1 8 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.248 0.059 19013 4197 1 8 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.373 -0.286 19013 4198 1 8 . 1 1 28 28 ALA N N 28 118.927 118.927 120.441 -1.514 19013 4199 1 8 . 1 1 28 28 ALA HA H 28 3.862 3.862 3.928 -0.066 19013 4200 1 8 . 1 1 28 28 ALA C C 28 179.693 179.693 178.886 0.807 19013 4201 1 8 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.651 0.251 19013 4202 1 8 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.093 0.023 19013 4203 1 8 . 1 1 29 29 TYR N N 29 119.687 119.687 118.165 1.522 19013 4204 1 8 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.070 -0.148 19013 4205 1 8 . 1 1 29 29 TYR C C 29 178.234 178.234 177.322 0.912 19013 4206 1 8 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.461 -0.325 19013 4207 1 8 . 1 1 29 29 TYR CB C 29 38.376 38.376 38.850 -0.474 19013 4208 1 8 . 1 1 30 30 PHE N N 30 115.353 115.353 115.318 0.035 19013 4209 1 8 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.177 -0.248 19013 4210 1 8 . 1 1 30 30 PHE C C 30 180.031 180.031 176.420 3.611 19013 4211 1 8 . 1 1 30 30 PHE CA C 30 61.815 61.815 58.977 2.838 19013 4212 1 8 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.116 -1.165 19013 4213 1 8 . 1 1 31 31 ALA N N 31 125.929 125.929 122.562 3.367 19013 4214 1 8 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.535 -0.073 19013 4215 1 8 . 1 1 31 31 ALA C C 31 178.235 178.235 178.340 -0.105 19013 4216 1 8 . 1 1 31 31 ALA CA C 31 53.794 53.794 53.443 0.351 19013 4217 1 8 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.099 -0.617 19013 4218 1 8 . 1 1 32 32 GLN N N 32 113.541 113.541 115.863 -2.322 19013 4219 1 8 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.971 -0.015 19013 4220 1 8 . 1 1 32 32 GLN C C 32 177.465 177.465 176.786 0.679 19013 4221 1 8 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.123 -1.164 19013 4222 1 8 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.727 0.358 19013 4223 1 8 . 1 1 33 33 PHE N N 33 114.638 114.638 108.844 5.794 19013 4224 1 8 . 1 1 33 33 PHE HA H 33 4.650 4.650 5.426 -0.776 19013 4225 1 8 . 1 1 33 33 PHE C C 33 175.848 175.848 175.432 0.416 19013 4226 1 8 . 1 1 33 33 PHE CA C 33 57.066 57.066 56.399 0.667 19013 4227 1 8 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.973 -3.043 19013 4228 1 8 . 1 1 34 34 GLY N N 34 106.452 106.452 107.591 -1.139 19013 4229 1 8 . 1 1 34 34 GLY C C 34 170.428 170.428 171.649 -1.221 19013 4230 1 8 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.493 -0.929 19013 4231 1 8 . 1 1 35 35 GLU N N 35 118.228 118.228 119.176 -0.948 19013 4232 1 8 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.720 -0.554 19013 4233 1 8 . 1 1 35 35 GLU C C 35 175.939 175.939 174.196 1.743 19013 4234 1 8 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.628 1.757 19013 4235 1 8 . 1 1 35 35 GLU CB C 35 30.115 30.115 32.341 -2.226 19013 4236 1 8 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.440 0.124 19013 4237 1 8 . 1 1 36 36 ILE C C 36 176.530 176.530 175.229 1.301 19013 4238 1 8 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.332 -0.485 19013 4239 1 8 . 1 1 36 36 ILE CB C 36 41.594 41.594 41.191 0.403 19013 4240 1 8 . 1 1 37 37 LEU N N 37 125.464 125.464 119.968 5.496 19013 4241 1 8 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.892 0.197 19013 4242 1 8 . 1 1 37 37 LEU C C 37 178.470 178.470 176.206 2.264 19013 4243 1 8 . 1 1 37 37 LEU CA C 37 57.114 57.114 55.470 1.644 19013 4244 1 8 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.749 0.427 19013 4245 1 8 . 1 1 38 38 GLU N N 38 120.405 120.405 118.657 1.748 19013 4246 1 8 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.495 -0.316 19013 4247 1 8 . 1 1 38 38 GLU C C 38 175.620 175.620 174.655 0.965 19013 4248 1 8 . 1 1 38 38 GLU CA C 38 58.630 58.630 55.792 2.838 19013 4249 1 8 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.501 -0.950 19013 4250 1 8 . 1 1 39 39 ASP N N 39 117.746 117.746 118.347 -0.601 19013 4251 1 8 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.674 -0.172 19013 4252 1 8 . 1 1 39 39 ASP C C 39 176.811 176.811 174.899 1.912 19013 4253 1 8 . 1 1 39 39 ASP CA C 39 53.870 53.870 53.638 0.232 19013 4254 1 8 . 1 1 39 39 ASP CB C 39 40.381 40.381 42.525 -2.144 19013 4255 1 8 . 1 1 40 40 LEU N N 40 127.180 127.180 122.836 4.344 19013 4256 1 8 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.463 -0.153 19013 4257 1 8 . 1 1 40 40 LEU C C 40 177.950 177.950 177.345 0.605 19013 4258 1 8 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.157 -0.053 19013 4259 1 8 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.809 -1.103 19013 4260 1 8 . 1 1 41 41 GLU N N 41 120.599 120.599 119.574 1.025 19013 4261 1 8 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.015 -0.085 19013 4262 1 8 . 1 1 41 41 GLU C C 41 178.353 178.353 175.674 2.679 19013 4263 1 8 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.520 0.718 19013 4264 1 8 . 1 1 41 41 GLU CB C 41 29.391 29.391 29.216 0.175 19013 4265 1 8 . 1 1 42 42 SER N N 42 114.356 114.356 114.556 -0.200 19013 4266 1 8 . 1 1 42 42 SER HA H 42 4.209 4.209 4.604 -0.395 19013 4267 1 8 . 1 1 42 42 SER C C 42 175.221 175.221 173.128 2.093 19013 4268 1 8 . 1 1 42 42 SER CA C 42 60.331 60.331 57.625 2.706 19013 4269 1 8 . 1 1 42 42 SER CB C 42 62.849 62.849 64.779 -1.931 19013 4270 1 8 . 1 1 43 43 GLU N N 43 119.711 119.711 123.202 -3.491 19013 4271 1 8 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.181 0.105 19013 4272 1 8 . 1 1 43 43 GLU C C 43 176.893 176.893 176.422 0.471 19013 4273 1 8 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.224 0.369 19013 4274 1 8 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.043 0.398 19013 4275 1 8 . 1 1 44 44 LEU N N 44 117.788 117.788 114.795 2.993 19013 4276 1 8 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.555 -0.201 19013 4277 1 8 . 1 1 44 44 LEU C C 44 177.944 177.944 175.987 1.957 19013 4278 1 8 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.312 0.629 19013 4279 1 8 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.865 -1.490 19013 4280 1 8 . 1 1 45 45 GLY N N 45 108.349 108.349 105.693 2.656 19013 4281 1 8 . 1 1 45 45 GLY C C 45 173.791 173.791 173.524 0.267 19013 4282 1 8 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.432 0.205 19013 4283 1 8 . 1 1 46 46 ASP N N 46 119.869 119.869 119.528 0.341 19013 4284 1 8 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.799 -0.110 19013 4285 1 8 . 1 1 46 46 ASP C C 46 176.628 176.628 175.326 1.302 19013 4286 1 8 . 1 1 46 46 ASP CA C 46 54.021 54.021 53.137 0.884 19013 4287 1 8 . 1 1 46 46 ASP CB C 46 41.096 41.096 42.754 -1.658 19013 4288 1 8 . 1 1 47 47 THR N N 47 113.962 113.962 109.047 4.915 19013 4289 1 8 . 1 1 47 47 THR HA H 47 4.258 4.258 4.001 0.257 19013 4290 1 8 . 1 1 47 47 THR C C 47 175.277 175.277 175.242 0.035 19013 4291 1 8 . 1 1 47 47 THR CA C 47 62.715 62.715 63.690 -0.974 19013 4292 1 8 . 1 1 47 47 THR CB C 47 69.504 69.504 68.121 1.383 19013 4293 1 8 . 1 1 48 48 GLU N N 48 121.748 121.748 117.945 3.803 19013 4294 1 8 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.314 -0.079 19013 4295 1 8 . 1 1 48 48 GLU C C 48 177.221 177.221 177.748 -0.527 19013 4296 1 8 . 1 1 48 48 GLU CA C 48 57.505 57.505 57.858 -0.353 19013 4297 1 8 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.426 0.292 19013 4298 1 8 . 1 1 49 49 THR N N 49 113.781 113.781 109.820 3.961 19013 4299 1 8 . 1 1 49 49 THR HA H 49 4.160 4.160 4.568 -0.408 19013 4300 1 8 . 1 1 49 49 THR C C 49 174.979 174.979 175.128 -0.149 19013 4301 1 8 . 1 1 49 49 THR CA C 49 62.989 62.989 63.314 -0.325 19013 4302 1 8 . 1 1 49 49 THR CB C 49 69.198 69.198 68.674 0.524 19013 4303 1 8 . 1 1 50 50 MET N N 50 121.133 121.133 119.256 1.877 19013 4304 1 8 . 1 1 50 50 MET HA H 50 4.295 4.295 4.750 -0.455 19013 4305 1 8 . 1 1 50 50 MET C C 50 175.846 175.846 175.763 0.083 19013 4306 1 8 . 1 1 50 50 MET CA C 50 55.981 55.981 53.781 2.200 19013 4307 1 8 . 1 1 50 50 MET CB C 50 32.549 32.549 32.524 0.025 19013 4308 1 8 . 1 1 51 51 ARG N N 51 120.641 120.641 122.696 -2.055 19013 4309 1 8 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.441 -0.103 19013 4310 1 8 . 1 1 51 51 ARG C C 51 176.213 176.213 176.405 -0.192 19013 4311 1 8 . 1 1 51 51 ARG CA C 51 55.879 55.879 56.685 -0.806 19013 4312 1 8 . 1 1 51 51 ARG CB C 51 30.606 30.606 29.983 0.623 19013 4313 1 8 . 1 1 52 52 THR N N 52 116.663 116.663 116.138 0.525 19013 4314 1 8 . 1 1 52 52 THR HA H 52 4.564 4.564 4.201 0.363 19013 4315 1 8 . 1 1 52 52 THR C C 52 172.814 172.814 172.579 0.235 19013 4316 1 8 . 1 1 52 52 THR CA C 52 59.828 59.828 63.231 -3.403 19013 4317 1 8 . 1 1 52 52 THR CB C 52 69.498 69.498 67.770 1.728 19013 4318 1 8 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.584 -0.244 19013 4319 1 8 . 1 1 53 53 PRO C C 53 177.518 177.518 176.229 1.289 19013 4320 1 8 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.054 0.936 19013 4321 1 8 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.506 0.411 19013 4322 1 8 . 1 1 54 54 GLY N N 54 108.804 108.804 105.570 3.234 19013 4323 1 8 . 1 1 54 54 GLY C C 54 174.121 174.121 173.208 0.913 19013 4324 1 8 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.417 -0.048 19013 4325 1 8 . 1 1 55 55 TYR N N 55 119.872 119.872 122.359 -2.487 19013 4326 1 8 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.496 -0.136 19013 4327 1 8 . 1 1 55 55 TYR C C 55 175.550 175.550 175.569 -0.019 19013 4328 1 8 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.870 1.638 19013 4329 1 8 . 1 1 55 55 TYR CB C 55 38.907 38.907 38.182 0.725 19013 4330 1 8 . 1 1 56 56 PHE N N 56 121.248 121.248 124.076 -2.828 19013 4331 1 8 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.405 0.024 19013 4332 1 8 . 1 1 56 56 PHE C C 56 175.354 175.354 175.561 -0.207 19013 4333 1 8 . 1 1 56 56 PHE CA C 56 58.138 58.138 61.168 -3.030 19013 4334 1 8 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.593 -0.080 19013 4335 1 8 . 1 1 57 57 PHE N N 57 121.226 121.226 112.238 8.988 19013 4336 1 8 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.784 -0.311 19013 4337 1 8 . 1 1 57 57 PHE C C 57 175.182 175.182 173.611 1.571 19013 4338 1 8 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.439 1.387 19013 4339 1 8 . 1 1 57 57 PHE CB C 57 39.529 39.529 40.378 -0.849 19013 4340 1 8 . 1 1 58 58 GLN N N 58 121.160 121.160 123.781 -2.621 19013 4341 1 8 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.475 -0.243 19013 4342 1 8 . 1 1 58 58 GLN C C 58 175.287 175.287 175.636 -0.349 19013 4343 1 8 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.038 0.368 19013 4344 1 8 . 1 1 58 58 GLN CB C 58 29.477 29.477 29.297 0.180 19013 4345 1 8 . 1 1 59 59 GLN N N 59 120.923 120.923 124.076 -3.153 19013 4346 1 8 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.356 -0.070 19013 4347 1 8 . 1 1 59 59 GLN C C 59 175.318 175.318 175.243 0.075 19013 4348 1 8 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.345 -0.048 19013 4349 1 8 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.420 -0.001 19013 4350 1 8 . 1 1 60 60 ALA N N 60 126.737 126.737 123.849 2.888 19013 4351 1 8 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.382 0.154 19013 4352 1 8 . 1 1 60 60 ALA C C 60 175.924 175.924 176.840 -0.916 19013 4353 1 8 . 1 1 60 60 ALA CA C 60 50.682 50.682 50.823 -0.141 19013 4354 1 8 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.478 -0.305 19013 4355 1 8 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.287 0.117 19013 4356 1 8 . 1 1 61 61 PRO C C 61 176.902 176.902 176.402 0.500 19013 4357 1 8 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.258 -0.709 19013 4358 1 8 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.117 -0.136 19013 4359 1 8 . 1 1 62 62 ASN N N 62 116.490 116.490 118.861 -2.371 19013 4360 1 8 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.783 -0.183 19013 4361 1 8 . 1 1 62 62 ASN C C 62 174.942 174.942 173.874 1.068 19013 4362 1 8 . 1 1 62 62 ASN CA C 62 53.299 53.299 52.708 0.591 19013 4363 1 8 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.306 -0.285 19013 4364 1 8 . 1 1 63 63 ARG N N 63 120.117 120.117 121.383 -1.266 19013 4365 1 8 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.538 -0.177 19013 4366 1 8 . 1 1 63 63 ARG C C 63 175.853 175.853 175.460 0.393 19013 4367 1 8 . 1 1 63 63 ARG CA C 63 55.555 55.555 55.541 0.014 19013 4368 1 8 . 1 1 63 63 ARG CB C 63 31.085 31.085 30.882 0.203 19013 4369 1 8 . 1 1 64 64 ARG N N 64 123.061 123.061 122.369 0.692 19013 4370 1 8 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.575 -0.275 19013 4371 1 8 . 1 1 64 64 ARG C C 64 175.995 175.995 176.388 -0.393 19013 4372 1 8 . 1 1 64 64 ARG CA C 64 56.003 56.003 54.913 1.090 19013 4373 1 8 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.958 0.522 19013 4374 1 8 . 1 1 65 65 ARG N N 65 123.698 123.698 118.373 5.325 19013 4375 1 8 . 1 1 65 65 ARG HA H 65 4.576 4.576 3.899 0.677 19013 4376 1 8 . 1 1 65 65 ARG C C 65 176.085 176.085 176.827 -0.742 19013 4377 1 8 . 1 1 65 65 ARG CA C 65 55.448 55.448 58.962 -3.514 19013 4378 1 8 . 1 1 65 65 ARG CB C 65 31.155 31.155 27.996 3.159 19013 4379 1 8 . 1 1 66 66 ILE N N 66 120.928 120.928 121.241 -0.313 19013 4380 1 8 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.945 0.490 19013 4381 1 8 . 1 1 66 66 ILE C C 66 175.488 175.488 176.099 -0.611 19013 4382 1 8 . 1 1 66 66 ILE CA C 66 60.214 60.214 62.696 -2.482 19013 4383 1 8 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.011 1.143 19013 4384 1 8 . 1 1 67 67 SER N N 67 119.534 119.534 112.914 6.620 19013 4385 1 8 . 1 1 67 67 SER HA H 67 4.431 4.431 4.108 0.323 19013 4386 1 8 . 1 1 67 67 SER C C 67 174.034 174.034 173.385 0.649 19013 4387 1 8 . 1 1 67 67 SER CA C 67 58.599 58.599 59.795 -1.196 19013 4388 1 8 . 1 1 67 67 SER CB C 67 63.499 63.499 62.363 1.136 19013 4389 1 8 . 1 1 68 68 ARG N N 68 124.936 124.936 119.204 5.732 19013 4390 1 8 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.621 -0.046 19013 4391 1 8 . 1 1 68 68 ARG C C 68 175.967 175.967 175.153 0.814 19013 4392 1 8 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.221 1.233 19013 4393 1 8 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.111 0.362 19013 4394 1 8 . 1 1 69 69 GLU N N 69 136.462 136.462 122.409 14.053 19013 4395 1 8 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.219 0.286 19013 4396 1 8 . 1 1 69 69 GLU C C 69 174.852 174.852 175.502 -0.650 19013 4397 1 8 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.468 -0.273 19013 4398 1 8 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.419 -0.618 19013 4399 1 8 . 1 1 70 70 HIS N N 70 120.728 120.728 117.960 2.768 19013 4400 1 8 . 1 1 70 70 HIS HA H 70 3.736 3.736 5.012 -1.276 19013 4401 1 8 . 1 1 70 70 HIS C C 70 171.455 171.455 173.031 -1.576 19013 4402 1 8 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.768 0.806 19013 4403 1 8 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.690 -1.574 19013 4404 1 8 . 1 1 71 71 GLY N N 71 108.698 108.698 107.371 1.327 19013 4405 1 8 . 1 1 71 71 GLY C C 71 174.611 174.611 173.644 0.967 19013 4406 1 8 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.363 -0.299 19013 4407 1 8 . 1 1 72 72 ARG N N 72 123.350 123.350 119.301 4.049 19013 4408 1 8 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.197 -0.002 19013 4409 1 8 . 1 1 72 72 ARG C C 72 178.495 178.495 176.976 1.519 19013 4410 1 8 . 1 1 72 72 ARG CA C 72 60.196 60.196 58.883 1.313 19013 4411 1 8 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.386 -0.563 19013 4412 1 8 . 1 1 73 73 THR N N 73 103.467 103.467 109.130 -5.663 19013 4413 1 8 . 1 1 73 73 THR HA H 73 4.196 4.196 4.990 -0.794 19013 4414 1 8 . 1 1 73 73 THR C C 73 171.300 171.300 172.874 -1.574 19013 4415 1 8 . 1 1 73 73 THR CA C 73 59.336 59.336 61.180 -1.844 19013 4416 1 8 . 1 1 73 73 THR CB C 73 69.837 69.837 69.766 0.071 19013 4417 1 8 . 1 1 74 74 TRP N N 74 112.582 112.582 119.441 -6.859 19013 4418 1 8 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.587 0.120 19013 4419 1 8 . 1 1 74 74 TRP C C 74 176.667 176.667 173.893 2.774 19013 4420 1 8 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.624 0.258 19013 4421 1 8 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.159 0.701 19013 4422 1 8 . 1 1 75 75 THR N N 75 114.629 114.629 118.561 -3.932 19013 4423 1 8 . 1 1 75 75 THR HA H 75 4.594 4.594 4.686 -0.092 19013 4424 1 8 . 1 1 75 75 THR C C 75 170.237 170.237 173.081 -2.844 19013 4425 1 8 . 1 1 75 75 THR CA C 75 61.354 61.354 61.934 -0.580 19013 4426 1 8 . 1 1 75 75 THR CB C 75 69.887 69.887 71.854 -1.967 19013 4427 1 8 . 1 1 76 76 LYS N N 76 130.596 130.596 129.884 0.712 19013 4428 1 8 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.308 0.414 19013 4429 1 8 . 1 1 76 76 LYS C C 76 177.934 177.934 175.719 2.215 19013 4430 1 8 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.463 0.577 19013 4431 1 8 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.565 1.605 19013 4432 1 8 . 1 1 77 77 LEU N N 77 128.006 128.006 124.840 3.166 19013 4433 1 8 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.862 -0.575 19013 4434 1 8 . 1 1 77 77 LEU C C 77 174.557 174.557 175.080 -0.523 19013 4435 1 8 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.555 1.743 19013 4436 1 8 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.807 1.292 19013 4437 1 8 . 1 1 78 78 THR N N 78 123.666 123.666 116.697 6.969 19013 4438 1 8 . 1 1 78 78 THR HA H 78 4.435 4.435 4.751 -0.316 19013 4439 1 8 . 1 1 78 78 THR C C 78 174.067 174.067 174.539 -0.472 19013 4440 1 8 . 1 1 78 78 THR CA C 78 62.500 62.500 62.059 0.441 19013 4441 1 8 . 1 1 78 78 THR CB C 78 67.902 67.902 70.329 -2.426 19013 4442 1 8 . 1 1 79 79 TYR N N 79 125.290 125.290 126.348 -1.058 19013 4443 1 8 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.487 0.465 19013 4444 1 8 . 1 1 79 79 TYR C C 79 176.523 176.523 176.274 0.249 19013 4445 1 8 . 1 1 79 79 TYR CA C 79 59.379 59.379 58.284 1.095 19013 4446 1 8 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.604 1.215 19013 4447 1 8 . 1 1 80 80 ALA N N 80 121.971 121.971 119.357 2.614 19013 4448 1 8 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.863 0.197 19013 4449 1 8 . 1 1 80 80 ALA C C 80 177.255 177.255 176.105 1.150 19013 4450 1 8 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.153 0.777 19013 4451 1 8 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.323 1.863 19013 4452 1 8 . 1 1 81 81 ASN N N 81 112.786 112.786 113.918 -1.132 19013 4453 1 8 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.686 0.411 19013 4454 1 8 . 1 1 81 81 ASN C C 81 175.438 175.438 174.045 1.393 19013 4455 1 8 . 1 1 81 81 ASN CA C 81 51.488 51.488 51.401 0.087 19013 4456 1 8 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.777 1.653 19013 4457 1 8 . 1 1 82 82 HIS N N 82 123.560 123.560 117.155 6.405 19013 4458 1 8 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.598 -0.311 19013 4459 1 8 . 1 1 82 82 HIS C C 82 176.494 176.494 176.719 -0.225 19013 4460 1 8 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.286 0.805 19013 4461 1 8 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.349 -1.786 19013 4462 1 8 . 1 1 83 83 SER N N 83 114.623 114.623 115.914 -1.291 19013 4463 1 8 . 1 1 83 83 SER HA H 83 4.095 4.095 4.175 -0.080 19013 4464 1 8 . 1 1 83 83 SER C C 83 177.619 177.619 176.250 1.369 19013 4465 1 8 . 1 1 83 83 SER CA C 83 61.637 61.637 61.804 -0.167 19013 4466 1 8 . 1 1 83 83 SER CB C 83 61.644 61.644 62.634 -0.990 19013 4467 1 8 . 1 1 84 84 SER N N 84 120.863 120.863 116.191 4.672 19013 4468 1 8 . 1 1 84 84 SER HA H 84 3.935 3.935 4.053 -0.118 19013 4469 1 8 . 1 1 84 84 SER C C 84 173.466 173.466 175.718 -2.252 19013 4470 1 8 . 1 1 84 84 SER CA C 84 62.250 62.250 59.170 3.080 19013 4471 1 8 . 1 1 84 84 SER CB C 84 62.700 62.700 62.413 0.287 19013 4472 1 8 . 1 1 85 85 TYR N N 85 122.263 122.263 124.733 -2.470 19013 4473 1 8 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.241 -0.472 19013 4474 1 8 . 1 1 85 85 TYR C C 85 175.010 175.010 177.281 -2.271 19013 4475 1 8 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.894 -1.220 19013 4476 1 8 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.495 -0.869 19013 4477 1 8 . 1 1 86 86 LEU N N 86 117.366 117.366 116.365 1.001 19013 4478 1 8 . 1 1 86 86 LEU HA H 86 3.537 3.537 4.129 -0.592 19013 4479 1 8 . 1 1 86 86 LEU C C 86 179.942 179.942 179.761 0.181 19013 4480 1 8 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.221 0.048 19013 4481 1 8 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.815 0.879 19013 4482 1 8 . 1 1 87 87 ARG N N 87 118.578 118.578 119.391 -0.813 19013 4483 1 8 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.052 -0.204 19013 4484 1 8 . 1 1 87 87 ARG C C 87 178.784 178.784 178.552 0.232 19013 4485 1 8 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.383 -0.942 19013 4486 1 8 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.306 -0.365 19013 4487 1 8 . 1 1 88 88 ALA N N 88 123.868 123.868 121.569 2.299 19013 4488 1 8 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.388 -0.845 19013 4489 1 8 . 1 1 88 88 ALA C C 88 179.517 179.517 178.413 1.104 19013 4490 1 8 . 1 1 88 88 ALA CA C 88 55.414 55.414 54.294 1.121 19013 4491 1 8 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.283 -0.141 19013 4492 1 8 . 1 1 89 89 LEU N N 89 114.573 114.573 116.318 -1.745 19013 4493 1 8 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.315 -0.391 19013 4494 1 8 . 1 1 89 89 LEU C C 89 180.088 180.088 176.983 3.105 19013 4495 1 8 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.601 2.816 19013 4496 1 8 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.193 0.693 19013 4497 1 8 . 1 1 90 90 ARG N N 90 116.735 116.735 120.459 -3.724 19013 4498 1 8 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.085 0.047 19013 4499 1 8 . 1 1 90 90 ARG C C 90 177.429 177.429 175.110 2.319 19013 4500 1 8 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.018 0.781 19013 4501 1 8 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.891 -1.057 19013 4502 1 8 . 1 1 91 91 GLU N N 91 115.787 115.787 123.380 -7.593 19013 4503 1 8 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.685 -0.538 19013 4504 1 8 . 1 1 91 91 GLU C C 91 176.303 176.303 176.952 -0.649 19013 4505 1 8 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.084 0.252 19013 4506 1 8 . 1 1 91 91 GLU CB C 91 29.705 29.705 31.434 -1.729 19013 4507 1 8 . 1 1 92 92 HIS N N 92 118.997 118.997 116.825 2.172 19013 4508 1 8 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.210 0.061 19013 4509 1 8 . 1 1 92 92 HIS C C 92 176.823 176.823 176.360 0.463 19013 4510 1 8 . 1 1 92 92 HIS CA C 92 59.453 59.453 58.200 1.253 19013 4511 1 8 . 1 1 92 92 HIS CB C 92 30.812 30.812 28.488 2.324 19013 4512 1 8 . 1 1 93 93 GLY N N 93 116.944 116.944 108.510 8.434 19013 4513 1 8 . 1 1 93 93 GLY C C 93 174.512 174.512 174.002 0.510 19013 4514 1 8 . 1 1 93 93 GLY CA C 93 44.976 44.976 44.925 0.051 19013 4515 1 8 . 1 1 94 94 THR N N 94 117.838 117.838 121.632 -3.794 19013 4516 1 8 . 1 1 94 94 THR HA H 94 4.059 4.059 4.293 -0.234 19013 4517 1 8 . 1 1 94 94 THR C C 94 172.656 172.656 172.802 -0.146 19013 4518 1 8 . 1 1 94 94 THR CA C 94 63.330 63.330 63.501 -0.171 19013 4519 1 8 . 1 1 94 94 THR CB C 94 69.936 69.936 67.945 1.991 19013 4520 1 8 . 1 1 95 95 ILE N N 95 124.155 124.155 126.637 -2.482 19013 4521 1 8 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.615 -0.227 19013 4522 1 8 . 1 1 95 95 ILE C C 95 175.534 175.534 174.874 0.660 19013 4523 1 8 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.345 -0.568 19013 4524 1 8 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.888 -3.898 19013 4525 1 8 . 1 1 96 96 TYR N N 96 130.370 130.370 128.325 2.045 19013 4526 1 8 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.753 -0.190 19013 4527 1 8 . 1 1 96 96 TYR C C 96 174.539 174.539 175.813 -1.274 19013 4528 1 8 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.968 -0.512 19013 4529 1 8 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.805 -0.078 19013 4530 1 8 . 1 1 97 97 CYS N N 97 123.936 123.936 125.869 -1.933 19013 4531 1 8 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.061 -0.403 19013 4532 1 8 . 1 1 97 97 CYS C C 97 175.798 175.798 175.330 0.468 19013 4533 1 8 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.353 1.468 19013 4534 1 8 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.924 -1.445 19013 4535 1 8 . 1 1 98 98 GLY N N 98 103.268 103.268 104.319 -1.051 19013 4536 1 8 . 1 1 98 98 GLY C C 98 173.270 173.270 173.311 -0.041 19013 4537 1 8 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.872 0.440 19013 4538 1 8 . 1 1 99 99 ALA N N 99 123.511 123.511 122.554 0.957 19013 4539 1 8 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.586 0.109 19013 4540 1 8 . 1 1 99 99 ALA C C 99 175.215 175.215 175.443 -0.228 19013 4541 1 8 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.860 -0.082 19013 4542 1 8 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.485 0.270 19013 4543 1 8 . 1 1 100 100 ALA N N 100 124.957 124.957 124.999 -0.042 19013 4544 1 8 . 1 1 100 100 ALA HA H 100 4.633 4.633 4.972 -0.339 19013 4545 1 8 . 1 1 100 100 ALA C C 100 177.477 177.477 177.704 -0.227 19013 4546 1 8 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.750 -0.227 19013 4547 1 8 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.509 -1.339 19013 4548 1 8 . 1 1 101 101 ILE N N 101 121.598 121.598 122.559 -0.961 19013 4549 1 8 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.017 0.438 19013 4550 1 8 . 1 1 101 101 ILE C C 101 175.956 175.956 176.289 -0.333 19013 4551 1 8 . 1 1 101 101 ILE CA C 101 59.964 59.964 61.366 -1.402 19013 4552 1 8 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.581 1.254 19013 4553 1 8 . 1 1 102 102 GLY N N 102 113.717 113.717 115.515 -1.798 19013 4554 1 8 . 1 1 102 102 GLY C C 102 172.857 172.857 172.361 0.496 19013 4555 1 8 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.707 -1.263 19013 4556 1 8 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.259 0.275 19013 4557 1 8 . 1 1 103 103 CYS C C 103 172.624 172.624 174.329 -1.705 19013 4558 1 8 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.694 1.009 19013 4559 1 8 . 1 1 103 103 CYS CB C 103 27.343 27.343 28.555 -1.212 19013 4560 1 8 . 1 1 104 104 VAL N N 104 118.519 118.519 120.270 -1.751 19013 4561 1 8 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.676 0.229 19013 4562 1 8 . 1 1 104 104 VAL C C 104 172.705 172.705 173.608 -0.903 19013 4563 1 8 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.155 -0.742 19013 4564 1 8 . 1 1 104 104 VAL CB C 104 33.103 33.103 34.225 -1.122 19013 4565 1 8 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.379 0.236 19013 4566 1 8 . 1 1 105 105 PRO C C 105 176.557 176.557 176.292 0.265 19013 4567 1 8 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.718 0.836 19013 4568 1 8 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.239 0.427 19013 4569 1 8 . 1 1 106 106 TYR N N 106 121.923 121.923 123.795 -1.872 19013 4570 1 8 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.298 -0.468 19013 4571 1 8 . 1 1 106 106 TYR C C 106 174.643 174.643 174.486 0.157 19013 4572 1 8 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.355 0.663 19013 4573 1 8 . 1 1 106 106 TYR CB C 106 39.387 39.387 39.171 0.216 19013 4574 1 8 . 1 1 107 107 LYS N N 107 124.087 124.087 127.675 -3.588 19013 4575 1 8 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.539 -0.358 19013 4576 1 8 . 1 1 107 107 LYS C C 107 176.443 176.443 175.752 0.691 19013 4577 1 8 . 1 1 107 107 LYS CA C 107 54.777 54.777 53.794 0.983 19013 4578 1 8 . 1 1 107 107 LYS CB C 107 35.925 35.925 36.076 -0.151 19013 4579 1 8 . 1 1 108 108 HIS N N 108 124.171 124.171 123.893 0.278 19013 4580 1 8 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.979 -0.019 19013 4581 1 8 . 1 1 108 108 HIS C C 108 176.998 176.998 176.375 0.623 19013 4582 1 8 . 1 1 108 108 HIS CA C 108 59.599 59.599 59.303 0.296 19013 4583 1 8 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.440 -0.892 19013 4584 1 8 . 1 1 109 109 GLU N N 109 118.941 118.941 119.731 -0.790 19013 4585 1 8 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.788 0.125 19013 4586 1 8 . 1 1 109 109 GLU C C 109 177.738 177.738 178.550 -0.812 19013 4587 1 8 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.749 0.588 19013 4588 1 8 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.913 -0.194 19013 4589 1 8 . 1 1 110 110 LEU N N 110 118.555 118.555 120.422 -1.867 19013 4590 1 8 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.810 0.191 19013 4591 1 8 . 1 1 110 110 LEU C C 110 177.872 177.872 178.050 -0.178 19013 4592 1 8 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.555 -1.182 19013 4593 1 8 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.561 0.394 19013 4594 1 8 . 1 1 111 111 ILE N N 111 117.129 117.129 117.889 -0.760 19013 4595 1 8 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.006 -0.035 19013 4596 1 8 . 1 1 111 111 ILE C C 111 178.773 178.773 178.130 0.643 19013 4597 1 8 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.307 -0.569 19013 4598 1 8 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.947 -0.529 19013 4599 1 8 . 1 1 112 112 SER N N 112 116.165 116.165 115.988 0.177 19013 4600 1 8 . 1 1 112 112 SER HA H 112 4.000 4.000 4.056 -0.056 19013 4601 1 8 . 1 1 112 112 SER C C 112 176.313 176.313 176.852 -0.539 19013 4602 1 8 . 1 1 112 112 SER CA C 112 61.433 61.433 61.440 -0.007 19013 4603 1 8 . 1 1 112 112 SER CB C 112 62.188 62.188 62.333 -0.145 19013 4604 1 8 . 1 1 113 113 GLU N N 113 120.732 120.732 122.326 -1.594 19013 4605 1 8 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.976 0.010 19013 4606 1 8 . 1 1 113 113 GLU C C 113 178.799 178.799 178.860 -0.061 19013 4607 1 8 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.574 -0.053 19013 4608 1 8 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.218 0.164 19013 4609 1 8 . 1 1 114 114 LEU N N 114 119.452 119.452 119.300 0.152 19013 4610 1 8 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.984 -0.261 19013 4611 1 8 . 1 1 114 114 LEU C C 114 179.184 179.184 179.523 -0.339 19013 4612 1 8 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.575 -0.891 19013 4613 1 8 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.616 -1.629 19013 4614 1 8 . 1 1 115 115 SER N N 115 112.708 112.708 114.357 -1.649 19013 4615 1 8 . 1 1 115 115 SER HA H 115 4.615 4.615 4.393 0.222 19013 4616 1 8 . 1 1 115 115 SER C C 115 174.994 174.994 175.386 -0.392 19013 4617 1 8 . 1 1 115 115 SER CA C 115 59.706 59.706 60.963 -1.257 19013 4618 1 8 . 1 1 115 115 SER CB C 115 63.512 63.512 63.001 0.511 19013 4619 1 8 . 1 1 116 116 ARG N N 116 121.600 121.600 120.009 1.591 19013 4620 1 8 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.435 -0.194 19013 4621 1 8 . 1 1 116 116 ARG C C 116 176.893 176.893 175.992 0.901 19013 4622 1 8 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.040 0.982 19013 4623 1 8 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.613 -0.450 19013 4624 1 8 . 1 1 117 117 GLU N N 117 120.450 120.450 114.921 5.529 19013 4625 1 8 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.127 0.113 19013 4626 1 8 . 1 1 117 117 GLU C C 117 177.260 177.260 176.122 1.138 19013 4627 1 8 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.386 -0.344 19013 4628 1 8 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.630 2.133 19013 4629 1 8 . 1 1 118 118 GLY N N 118 108.905 108.905 106.985 1.920 19013 4630 1 8 . 1 1 118 118 GLY C C 118 174.225 174.225 172.813 1.412 19013 4631 1 8 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.599 0.784 19013 4632 1 8 . 1 1 119 119 HIS N N 119 117.625 117.625 124.547 -6.922 19013 4633 1 8 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.542 0.117 19013 4634 1 8 . 1 1 119 119 HIS C C 119 174.439 174.439 175.365 -0.926 19013 4635 1 8 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.737 -0.324 19013 4636 1 8 . 1 1 119 119 HIS CB C 119 28.904 28.904 28.441 0.463 19013 4637 1 8 . 1 1 120 120 HIS N N 120 119.015 119.015 123.701 -4.686 19013 4638 1 8 . 1 1 120 120 HIS HA H 120 4.672 4.672 3.810 0.862 19013 4639 1 8 . 1 1 120 120 HIS C C 120 174.259 174.259 173.073 1.186 19013 4640 1 8 . 1 1 120 120 HIS CA C 120 55.321 55.321 58.082 -2.761 19013 4641 1 8 . 1 1 120 120 HIS CB C 120 29.098 29.098 28.986 0.112 19013 4642 1 8 . 1 1 121 121 HIS N N 121 119.872 119.872 115.989 3.883 19013 4643 1 8 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.708 -0.028 19013 4644 1 8 . 1 1 121 121 HIS C C 121 174.245 174.245 174.249 -0.004 19013 4645 1 8 . 1 1 121 121 HIS CA C 121 55.389 55.389 54.984 0.405 19013 4646 1 8 . 1 1 121 121 HIS CB C 121 29.259 29.259 32.480 -3.221 19013 4647 1 8 . 1 1 122 122 HIS N N 122 120.597 120.597 120.944 -0.347 19013 4648 1 8 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.763 -0.076 19013 4649 1 8 . 1 1 122 122 HIS C C 122 174.101 174.101 174.571 -0.470 19013 4650 1 8 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.906 -0.519 19013 4651 1 8 . 1 1 122 122 HIS CB C 122 29.349 29.349 28.700 0.649 19013 4652 1 8 . 1 1 123 123 HIS N N 123 120.680 120.680 127.474 -6.794 19013 4653 1 8 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.728 -0.072 19013 4654 1 8 . 1 1 123 123 HIS C C 123 173.591 173.591 174.335 -0.744 19013 4655 1 8 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.872 -0.309 19013 4656 1 8 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.105 0.351 19013 4657 1 9 . 1 1 2 2 SER HA H 2 4.167 4.167 4.736 -0.569 19013 4658 1 9 . 1 1 2 2 SER C C 2 170.960 170.960 173.292 -2.332 19013 4659 1 9 . 1 1 2 2 SER CA C 2 57.139 57.139 58.118 -0.979 19013 4660 1 9 . 1 1 2 2 SER CB C 2 63.027 63.027 64.001 -0.974 19013 4661 1 9 . 1 1 3 3 LEU N N 3 123.102 123.102 124.537 -1.435 19013 4662 1 9 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.615 -0.200 19013 4663 1 9 . 1 1 3 3 LEU C C 3 177.886 177.886 177.241 0.645 19013 4664 1 9 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.552 1.073 19013 4665 1 9 . 1 1 3 3 LEU CB C 3 42.334 42.334 43.300 -0.966 19013 4666 1 9 . 1 1 4 4 GLY N N 4 110.546 110.546 108.876 1.670 19013 4667 1 9 . 1 1 4 4 GLY C C 4 174.473 174.473 174.331 0.142 19013 4668 1 9 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.379 0.891 19013 4669 1 9 . 1 1 5 5 SER N N 5 115.839 115.839 118.154 -2.315 19013 4670 1 9 . 1 1 5 5 SER HA H 5 4.472 4.472 4.477 -0.005 19013 4671 1 9 . 1 1 5 5 SER C C 5 175.085 175.085 175.051 0.034 19013 4672 1 9 . 1 1 5 5 SER CA C 5 58.419 58.419 58.331 0.088 19013 4673 1 9 . 1 1 5 5 SER CB C 5 63.648 63.648 64.304 -0.656 19013 4674 1 9 . 1 1 6 6 GLU N N 6 122.855 122.855 122.626 0.229 19013 4675 1 9 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.339 0.001 19013 4676 1 9 . 1 1 6 6 GLU C C 6 176.767 176.767 175.765 1.002 19013 4677 1 9 . 1 1 6 6 GLU CA C 6 57.020 57.020 57.209 -0.189 19013 4678 1 9 . 1 1 6 6 GLU CB C 6 29.785 29.785 30.055 -0.270 19013 4679 1 9 . 1 1 7 7 SER N N 7 116.046 116.046 115.085 0.961 19013 4680 1 9 . 1 1 7 7 SER HA H 7 4.444 4.444 4.616 -0.172 19013 4681 1 9 . 1 1 7 7 SER C C 7 174.946 174.946 174.317 0.629 19013 4682 1 9 . 1 1 7 7 SER CA C 7 58.587 58.587 57.511 1.076 19013 4683 1 9 . 1 1 7 7 SER CB C 7 63.645 63.645 63.111 0.534 19013 4684 1 9 . 1 1 8 8 GLU N N 8 122.758 122.758 126.132 -3.374 19013 4685 1 9 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.200 0.172 19013 4686 1 9 . 1 1 8 8 GLU C C 8 176.929 176.929 177.595 -0.666 19013 4687 1 9 . 1 1 8 8 GLU CA C 8 56.902 56.902 58.111 -1.209 19013 4688 1 9 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.698 0.139 19013 4689 1 9 . 1 1 9 9 THR N N 9 113.221 113.221 113.390 -0.169 19013 4690 1 9 . 1 1 9 9 THR HA H 9 4.295 4.295 3.846 0.449 19013 4691 1 9 . 1 1 9 9 THR C C 9 175.371 175.371 175.460 -0.089 19013 4692 1 9 . 1 1 9 9 THR CA C 9 62.279 62.279 65.294 -3.015 19013 4693 1 9 . 1 1 9 9 THR CB C 9 69.828 69.828 67.093 2.735 19013 4694 1 9 . 1 1 10 10 GLY N N 10 110.774 110.774 107.663 3.111 19013 4695 1 9 . 1 1 10 10 GLY C C 10 173.283 173.283 173.849 -0.566 19013 4696 1 9 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.280 0.451 19013 4697 1 9 . 1 1 11 11 ASN N N 11 116.215 116.215 116.189 0.026 19013 4698 1 9 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.432 -0.165 19013 4699 1 9 . 1 1 11 11 ASN C C 11 174.352 174.352 173.869 0.483 19013 4700 1 9 . 1 1 11 11 ASN CA C 11 52.467 52.467 53.406 -0.938 19013 4701 1 9 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.708 0.775 19013 4702 1 9 . 1 1 12 12 ALA N N 12 121.979 121.979 120.059 1.920 19013 4703 1 9 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.577 0.408 19013 4704 1 9 . 1 1 12 12 ALA C C 12 177.325 177.325 175.351 1.974 19013 4705 1 9 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.542 -0.005 19013 4706 1 9 . 1 1 12 12 ALA CB C 12 21.830 21.830 22.376 -0.546 19013 4707 1 9 . 1 1 13 13 VAL N N 13 116.191 116.191 116.698 -0.507 19013 4708 1 9 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.078 0.248 19013 4709 1 9 . 1 1 13 13 VAL C C 13 175.275 175.275 174.372 0.903 19013 4710 1 9 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.454 -0.692 19013 4711 1 9 . 1 1 13 13 VAL CB C 13 35.161 35.161 34.833 0.328 19013 4712 1 9 . 1 1 14 14 VAL N N 14 119.334 119.334 121.942 -2.608 19013 4713 1 9 . 1 1 14 14 VAL HA H 14 5.238 5.238 5.011 0.227 19013 4714 1 9 . 1 1 14 14 VAL C C 14 174.716 174.716 175.307 -0.591 19013 4715 1 9 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.772 0.524 19013 4716 1 9 . 1 1 14 14 VAL CB C 14 34.380 34.380 33.865 0.514 19013 4717 1 9 . 1 1 15 15 VAL N N 15 127.812 127.812 126.451 1.361 19013 4718 1 9 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.170 0.139 19013 4719 1 9 . 1 1 15 15 VAL C C 15 176.256 176.256 175.267 0.989 19013 4720 1 9 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.188 -0.033 19013 4721 1 9 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.898 0.403 19013 4722 1 9 . 1 1 16 16 PHE N N 16 122.243 122.243 120.032 2.211 19013 4723 1 9 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.092 0.827 19013 4724 1 9 . 1 1 16 16 PHE C C 16 174.623 174.623 174.558 0.065 19013 4725 1 9 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.163 0.972 19013 4726 1 9 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.816 0.276 19013 4727 1 9 . 1 1 17 17 GLY N N 17 106.894 106.894 106.160 0.734 19013 4728 1 9 . 1 1 17 17 GLY C C 17 174.023 174.023 173.737 0.286 19013 4729 1 9 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.268 -0.307 19013 4730 1 9 . 1 1 18 18 TYR N N 18 115.205 115.205 116.673 -1.468 19013 4731 1 9 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.021 -0.155 19013 4732 1 9 . 1 1 18 18 TYR C C 18 173.847 173.847 173.756 0.091 19013 4733 1 9 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.100 -1.935 19013 4734 1 9 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.562 0.269 19013 4735 1 9 . 1 1 19 19 ARG N N 19 116.814 116.814 119.634 -2.820 19013 4736 1 9 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.725 -0.270 19013 4737 1 9 . 1 1 19 19 ARG C C 19 177.198 177.198 177.229 -0.031 19013 4738 1 9 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.845 0.083 19013 4739 1 9 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.434 -2.713 19013 4740 1 9 . 1 1 20 20 GLU N N 20 125.261 125.261 122.986 2.275 19013 4741 1 9 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.103 -0.046 19013 4742 1 9 . 1 1 20 20 GLU C C 20 180.643 180.643 178.288 2.355 19013 4743 1 9 . 1 1 20 20 GLU CA C 20 59.529 59.529 59.666 -0.137 19013 4744 1 9 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.784 0.079 19013 4745 1 9 . 1 1 21 21 ALA N N 21 119.760 119.760 120.231 -0.471 19013 4746 1 9 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.236 0.118 19013 4747 1 9 . 1 1 21 21 ALA C C 21 179.291 179.291 178.787 0.504 19013 4748 1 9 . 1 1 21 21 ALA CA C 21 54.680 54.680 54.163 0.518 19013 4749 1 9 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.366 1.044 19013 4750 1 9 . 1 1 22 22 ILE N N 22 109.751 109.751 110.872 -1.121 19013 4751 1 9 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.565 0.610 19013 4752 1 9 . 1 1 22 22 ILE C C 22 175.636 175.636 176.580 -0.944 19013 4753 1 9 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.041 0.190 19013 4754 1 9 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.507 0.938 19013 4755 1 9 . 1 1 23 23 THR N N 23 118.763 118.763 119.203 -0.440 19013 4756 1 9 . 1 1 23 23 THR HA H 23 3.375 3.375 3.840 -0.465 19013 4757 1 9 . 1 1 23 23 THR C C 23 175.159 175.159 176.320 -1.161 19013 4758 1 9 . 1 1 23 23 THR CA C 23 68.267 68.267 67.622 0.645 19013 4759 1 9 . 1 1 23 23 THR CB C 23 69.564 69.564 68.418 1.146 19013 4760 1 9 . 1 1 24 24 LYS N N 24 118.723 118.723 118.944 -0.221 19013 4761 1 9 . 1 1 24 24 LYS HA H 24 3.663 3.663 3.997 -0.334 19013 4762 1 9 . 1 1 24 24 LYS C C 24 178.421 178.421 179.401 -0.980 19013 4763 1 9 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.087 1.967 19013 4764 1 9 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.119 0.662 19013 4765 1 9 . 1 1 25 25 GLN N N 25 118.276 118.276 118.205 0.071 19013 4766 1 9 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.199 -0.156 19013 4767 1 9 . 1 1 25 25 GLN C C 25 179.248 179.248 178.854 0.394 19013 4768 1 9 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.638 1.042 19013 4769 1 9 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.178 -0.933 19013 4770 1 9 . 1 1 26 26 ILE N N 26 122.000 122.000 120.199 1.801 19013 4771 1 9 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.768 0.001 19013 4772 1 9 . 1 1 26 26 ILE C C 26 177.797 177.797 178.037 -0.240 19013 4773 1 9 . 1 1 26 26 ILE CA C 26 62.178 62.178 62.604 -0.426 19013 4774 1 9 . 1 1 26 26 ILE CB C 26 35.591 35.591 36.524 -0.933 19013 4775 1 9 . 1 1 27 27 LEU N N 27 119.685 119.685 121.989 -2.304 19013 4776 1 9 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.052 -0.134 19013 4777 1 9 . 1 1 27 27 LEU C C 27 178.173 178.173 177.362 0.811 19013 4778 1 9 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.994 0.313 19013 4779 1 9 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.509 -0.422 19013 4780 1 9 . 1 1 28 28 ALA N N 28 118.927 118.927 119.146 -0.219 19013 4781 1 9 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.102 -0.240 19013 4782 1 9 . 1 1 28 28 ALA C C 28 179.693 179.693 178.072 1.621 19013 4783 1 9 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.426 0.476 19013 4784 1 9 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.724 -0.608 19013 4785 1 9 . 1 1 29 29 TYR N N 29 119.687 119.687 117.637 2.050 19013 4786 1 9 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.385 -0.463 19013 4787 1 9 . 1 1 29 29 TYR C C 29 178.234 178.234 177.617 0.617 19013 4788 1 9 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.810 0.326 19013 4789 1 9 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.555 -1.179 19013 4790 1 9 . 1 1 30 30 PHE N N 30 115.353 115.353 118.691 -3.338 19013 4791 1 9 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.337 -0.408 19013 4792 1 9 . 1 1 30 30 PHE C C 30 180.031 180.031 178.026 2.005 19013 4793 1 9 . 1 1 30 30 PHE CA C 30 61.815 61.815 61.922 -0.107 19013 4794 1 9 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.934 -0.983 19013 4795 1 9 . 1 1 31 31 ALA N N 31 125.929 125.929 118.659 7.270 19013 4796 1 9 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.318 0.144 19013 4797 1 9 . 1 1 31 31 ALA C C 31 178.235 178.235 179.384 -1.149 19013 4798 1 9 . 1 1 31 31 ALA CA C 31 53.794 53.794 53.408 0.386 19013 4799 1 9 . 1 1 31 31 ALA CB C 31 17.482 17.482 17.881 -0.399 19013 4800 1 9 . 1 1 32 32 GLN N N 32 113.541 113.541 119.937 -6.396 19013 4801 1 9 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.948 0.008 19013 4802 1 9 . 1 1 32 32 GLN C C 32 177.465 177.465 176.007 1.458 19013 4803 1 9 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.968 -1.009 19013 4804 1 9 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.551 0.534 19013 4805 1 9 . 1 1 33 33 PHE N N 33 114.638 114.638 113.083 1.555 19013 4806 1 9 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.969 -0.319 19013 4807 1 9 . 1 1 33 33 PHE C C 33 175.848 175.848 175.563 0.285 19013 4808 1 9 . 1 1 33 33 PHE CA C 33 57.066 57.066 57.809 -0.742 19013 4809 1 9 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.625 -2.695 19013 4810 1 9 . 1 1 34 34 GLY N N 34 106.452 106.452 106.262 0.190 19013 4811 1 9 . 1 1 34 34 GLY C C 34 170.428 170.428 171.477 -1.049 19013 4812 1 9 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.182 -0.618 19013 4813 1 9 . 1 1 35 35 GLU N N 35 118.228 118.228 118.749 -0.521 19013 4814 1 9 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.650 -0.484 19013 4815 1 9 . 1 1 35 35 GLU C C 35 175.939 175.939 174.606 1.333 19013 4816 1 9 . 1 1 35 35 GLU CA C 35 57.385 57.385 54.708 2.678 19013 4817 1 9 . 1 1 35 35 GLU CB C 35 30.115 30.115 32.832 -2.717 19013 4818 1 9 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.317 0.247 19013 4819 1 9 . 1 1 36 36 ILE C C 36 176.530 176.530 175.014 1.516 19013 4820 1 9 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.216 -1.369 19013 4821 1 9 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.853 2.741 19013 4822 1 9 . 1 1 37 37 LEU N N 37 125.464 125.464 119.084 6.380 19013 4823 1 9 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.453 -0.364 19013 4824 1 9 . 1 1 37 37 LEU C C 37 178.470 178.470 176.121 2.349 19013 4825 1 9 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.431 3.683 19013 4826 1 9 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.564 -1.388 19013 4827 1 9 . 1 1 38 38 GLU N N 38 120.405 120.405 119.234 1.171 19013 4828 1 9 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.290 -0.111 19013 4829 1 9 . 1 1 38 38 GLU C C 38 175.620 175.620 175.502 0.118 19013 4830 1 9 . 1 1 38 38 GLU CA C 38 58.630 58.630 54.968 3.662 19013 4831 1 9 . 1 1 38 38 GLU CB C 38 29.551 29.551 31.262 -1.711 19013 4832 1 9 . 1 1 39 39 ASP N N 39 117.746 117.746 118.481 -0.735 19013 4833 1 9 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.373 0.129 19013 4834 1 9 . 1 1 39 39 ASP C C 39 176.811 176.811 175.923 0.888 19013 4835 1 9 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.828 -0.958 19013 4836 1 9 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.594 -0.213 19013 4837 1 9 . 1 1 40 40 LEU N N 40 127.180 127.180 124.715 2.465 19013 4838 1 9 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.371 -0.061 19013 4839 1 9 . 1 1 40 40 LEU C C 40 177.950 177.950 177.916 0.034 19013 4840 1 9 . 1 1 40 40 LEU CA C 40 55.104 55.104 56.675 -1.571 19013 4841 1 9 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.484 -0.778 19013 4842 1 9 . 1 1 41 41 GLU N N 41 120.599 120.599 118.388 2.211 19013 4843 1 9 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.074 -0.144 19013 4844 1 9 . 1 1 41 41 GLU C C 41 178.353 178.353 176.520 1.833 19013 4845 1 9 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.167 1.071 19013 4846 1 9 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.627 0.764 19013 4847 1 9 . 1 1 42 42 SER N N 42 114.356 114.356 118.168 -3.812 19013 4848 1 9 . 1 1 42 42 SER HA H 42 4.209 4.209 4.468 -0.259 19013 4849 1 9 . 1 1 42 42 SER C C 42 175.221 175.221 174.407 0.814 19013 4850 1 9 . 1 1 42 42 SER CA C 42 60.331 60.331 58.766 1.565 19013 4851 1 9 . 1 1 42 42 SER CB C 42 62.849 62.849 62.792 0.057 19013 4852 1 9 . 1 1 43 43 GLU N N 43 119.711 119.711 125.222 -5.511 19013 4853 1 9 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.214 0.072 19013 4854 1 9 . 1 1 43 43 GLU C C 43 176.893 176.893 176.795 0.098 19013 4855 1 9 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.991 -0.398 19013 4856 1 9 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.556 0.885 19013 4857 1 9 . 1 1 44 44 LEU N N 44 117.788 117.788 118.384 -0.596 19013 4858 1 9 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.444 -0.090 19013 4859 1 9 . 1 1 44 44 LEU C C 44 177.944 177.944 177.066 0.878 19013 4860 1 9 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.800 0.141 19013 4861 1 9 . 1 1 44 44 LEU CB C 44 42.375 42.375 44.012 -1.637 19013 4862 1 9 . 1 1 45 45 GLY N N 45 108.349 108.349 108.716 -0.367 19013 4863 1 9 . 1 1 45 45 GLY C C 45 173.791 173.791 175.117 -1.326 19013 4864 1 9 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.585 1.052 19013 4865 1 9 . 1 1 46 46 ASP N N 46 119.869 119.869 121.328 -1.459 19013 4866 1 9 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.214 0.475 19013 4867 1 9 . 1 1 46 46 ASP C C 46 176.628 176.628 177.421 -0.793 19013 4868 1 9 . 1 1 46 46 ASP CA C 46 54.021 54.021 56.923 -2.902 19013 4869 1 9 . 1 1 46 46 ASP CB C 46 41.096 41.096 39.829 1.267 19013 4870 1 9 . 1 1 47 47 THR N N 47 113.962 113.962 111.823 2.139 19013 4871 1 9 . 1 1 47 47 THR HA H 47 4.258 4.258 4.220 0.038 19013 4872 1 9 . 1 1 47 47 THR C C 47 175.277 175.277 176.065 -0.788 19013 4873 1 9 . 1 1 47 47 THR CA C 47 62.715 62.715 63.868 -1.153 19013 4874 1 9 . 1 1 47 47 THR CB C 47 69.504 69.504 68.832 0.673 19013 4875 1 9 . 1 1 48 48 GLU N N 48 121.748 121.748 123.302 -1.554 19013 4876 1 9 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.232 0.003 19013 4877 1 9 . 1 1 48 48 GLU C C 48 177.221 177.221 177.657 -0.436 19013 4878 1 9 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.314 -1.809 19013 4879 1 9 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.916 0.802 19013 4880 1 9 . 1 1 49 49 THR N N 49 113.781 113.781 109.745 4.036 19013 4881 1 9 . 1 1 49 49 THR HA H 49 4.160 4.160 4.301 -0.141 19013 4882 1 9 . 1 1 49 49 THR C C 49 174.979 174.979 175.396 -0.417 19013 4883 1 9 . 1 1 49 49 THR CA C 49 62.989 62.989 62.657 0.332 19013 4884 1 9 . 1 1 49 49 THR CB C 49 69.198 69.198 68.725 0.473 19013 4885 1 9 . 1 1 50 50 MET N N 50 121.133 121.133 119.727 1.406 19013 4886 1 9 . 1 1 50 50 MET HA H 50 4.295 4.295 4.751 -0.456 19013 4887 1 9 . 1 1 50 50 MET C C 50 175.846 175.846 175.719 0.127 19013 4888 1 9 . 1 1 50 50 MET CA C 50 55.981 55.981 55.413 0.568 19013 4889 1 9 . 1 1 50 50 MET CB C 50 32.549 32.549 33.844 -1.295 19013 4890 1 9 . 1 1 51 51 ARG N N 51 120.641 120.641 121.748 -1.107 19013 4891 1 9 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.516 -0.178 19013 4892 1 9 . 1 1 51 51 ARG C C 51 176.213 176.213 175.874 0.339 19013 4893 1 9 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.733 0.147 19013 4894 1 9 . 1 1 51 51 ARG CB C 51 30.606 30.606 29.392 1.214 19013 4895 1 9 . 1 1 52 52 THR N N 52 116.663 116.663 114.673 1.990 19013 4896 1 9 . 1 1 52 52 THR HA H 52 4.564 4.564 4.007 0.557 19013 4897 1 9 . 1 1 52 52 THR C C 52 172.814 172.814 172.508 0.306 19013 4898 1 9 . 1 1 52 52 THR CA C 52 59.828 59.828 61.568 -1.740 19013 4899 1 9 . 1 1 52 52 THR CB C 52 69.498 69.498 68.213 1.285 19013 4900 1 9 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.161 0.179 19013 4901 1 9 . 1 1 53 53 PRO C C 53 177.518 177.518 177.595 -0.077 19013 4902 1 9 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.880 0.110 19013 4903 1 9 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.190 0.727 19013 4904 1 9 . 1 1 54 54 GLY N N 54 108.804 108.804 111.740 -2.936 19013 4905 1 9 . 1 1 54 54 GLY C C 54 174.121 174.121 173.440 0.681 19013 4906 1 9 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.965 0.404 19013 4907 1 9 . 1 1 55 55 TYR N N 55 119.872 119.872 122.480 -2.608 19013 4908 1 9 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.750 -0.390 19013 4909 1 9 . 1 1 55 55 TYR C C 55 175.550 175.550 173.862 1.688 19013 4910 1 9 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.843 1.665 19013 4911 1 9 . 1 1 55 55 TYR CB C 55 38.907 38.907 38.748 0.159 19013 4912 1 9 . 1 1 56 56 PHE N N 56 121.248 121.248 121.472 -0.224 19013 4913 1 9 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.860 -0.431 19013 4914 1 9 . 1 1 56 56 PHE C C 56 175.354 175.354 175.877 -0.523 19013 4915 1 9 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.704 1.434 19013 4916 1 9 . 1 1 56 56 PHE CB C 56 39.513 39.513 41.186 -1.673 19013 4917 1 9 . 1 1 57 57 PHE N N 57 121.226 121.226 120.839 0.387 19013 4918 1 9 . 1 1 57 57 PHE HA H 57 4.473 4.473 5.001 -0.528 19013 4919 1 9 . 1 1 57 57 PHE C C 57 175.182 175.182 174.360 0.822 19013 4920 1 9 . 1 1 57 57 PHE CA C 57 57.826 57.826 55.884 1.942 19013 4921 1 9 . 1 1 57 57 PHE CB C 57 39.529 39.529 40.774 -1.245 19013 4922 1 9 . 1 1 58 58 GLN N N 58 121.160 121.160 120.172 0.988 19013 4923 1 9 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.553 -0.321 19013 4924 1 9 . 1 1 58 58 GLN C C 58 175.287 175.287 174.616 0.671 19013 4925 1 9 . 1 1 58 58 GLN CA C 58 55.406 55.406 54.784 0.622 19013 4926 1 9 . 1 1 58 58 GLN CB C 58 29.477 29.477 31.065 -1.588 19013 4927 1 9 . 1 1 59 59 GLN N N 59 120.923 120.923 120.636 0.287 19013 4928 1 9 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.348 -0.062 19013 4929 1 9 . 1 1 59 59 GLN C C 59 175.318 175.318 175.032 0.286 19013 4930 1 9 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.828 -0.531 19013 4931 1 9 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.773 -0.354 19013 4932 1 9 . 1 1 60 60 ALA N N 60 126.737 126.737 120.796 5.941 19013 4933 1 9 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.226 0.310 19013 4934 1 9 . 1 1 60 60 ALA C C 60 175.924 175.924 174.980 0.944 19013 4935 1 9 . 1 1 60 60 ALA CA C 60 50.682 50.682 51.872 -1.190 19013 4936 1 9 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.028 1.145 19013 4937 1 9 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.348 0.056 19013 4938 1 9 . 1 1 61 61 PRO C C 61 176.902 176.902 176.408 0.494 19013 4939 1 9 . 1 1 61 61 PRO CA C 61 63.549 63.549 63.109 0.440 19013 4940 1 9 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.969 0.012 19013 4941 1 9 . 1 1 62 62 ASN N N 62 116.490 116.490 116.539 -0.049 19013 4942 1 9 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.522 0.078 19013 4943 1 9 . 1 1 62 62 ASN C C 62 174.942 174.942 175.657 -0.715 19013 4944 1 9 . 1 1 62 62 ASN CA C 62 53.299 53.299 54.352 -1.053 19013 4945 1 9 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.731 0.290 19013 4946 1 9 . 1 1 63 63 ARG N N 63 120.117 120.117 119.447 0.670 19013 4947 1 9 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.163 0.198 19013 4948 1 9 . 1 1 63 63 ARG C C 63 175.853 175.853 176.024 -0.171 19013 4949 1 9 . 1 1 63 63 ARG CA C 63 55.555 55.555 57.270 -1.715 19013 4950 1 9 . 1 1 63 63 ARG CB C 63 31.085 31.085 30.575 0.510 19013 4951 1 9 . 1 1 64 64 ARG N N 64 123.061 123.061 118.524 4.537 19013 4952 1 9 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.079 0.221 19013 4953 1 9 . 1 1 64 64 ARG C C 64 175.995 175.995 174.985 1.010 19013 4954 1 9 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.750 -0.747 19013 4955 1 9 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.779 0.701 19013 4956 1 9 . 1 1 65 65 ARG N N 65 123.698 123.698 120.392 3.306 19013 4957 1 9 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.510 0.066 19013 4958 1 9 . 1 1 65 65 ARG C C 65 176.085 176.085 175.690 0.395 19013 4959 1 9 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.831 0.617 19013 4960 1 9 . 1 1 65 65 ARG CB C 65 31.155 31.155 31.998 -0.843 19013 4961 1 9 . 1 1 66 66 ILE N N 66 120.928 120.928 123.385 -2.457 19013 4962 1 9 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.995 0.440 19013 4963 1 9 . 1 1 66 66 ILE C C 66 175.488 175.488 175.157 0.331 19013 4964 1 9 . 1 1 66 66 ILE CA C 66 60.214 60.214 61.575 -1.361 19013 4965 1 9 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.166 1.988 19013 4966 1 9 . 1 1 67 67 SER N N 67 119.534 119.534 122.853 -3.319 19013 4967 1 9 . 1 1 67 67 SER HA H 67 4.431 4.431 4.346 0.085 19013 4968 1 9 . 1 1 67 67 SER C C 67 174.034 174.034 174.757 -0.723 19013 4969 1 9 . 1 1 67 67 SER CA C 67 58.599 58.599 60.240 -1.641 19013 4970 1 9 . 1 1 67 67 SER CB C 67 63.499 63.499 63.862 -0.363 19013 4971 1 9 . 1 1 68 68 ARG N N 68 124.936 124.936 119.382 5.554 19013 4972 1 9 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.530 0.045 19013 4973 1 9 . 1 1 68 68 ARG C C 68 175.967 175.967 174.320 1.647 19013 4974 1 9 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.262 1.192 19013 4975 1 9 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.992 -0.519 19013 4976 1 9 . 1 1 69 69 GLU N N 69 136.462 136.462 122.002 14.460 19013 4977 1 9 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.350 0.155 19013 4978 1 9 . 1 1 69 69 GLU C C 69 174.852 174.852 175.580 -0.728 19013 4979 1 9 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.592 -0.398 19013 4980 1 9 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.951 -0.150 19013 4981 1 9 . 1 1 70 70 HIS N N 70 120.728 120.728 119.687 1.041 19013 4982 1 9 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.863 -1.127 19013 4983 1 9 . 1 1 70 70 HIS C C 70 171.455 171.455 173.273 -1.818 19013 4984 1 9 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.726 0.848 19013 4985 1 9 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.678 -0.562 19013 4986 1 9 . 1 1 71 71 GLY N N 71 108.698 108.698 106.710 1.988 19013 4987 1 9 . 1 1 71 71 GLY C C 71 174.611 174.611 173.759 0.852 19013 4988 1 9 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.046 0.018 19013 4989 1 9 . 1 1 72 72 ARG N N 72 123.350 123.350 118.760 4.590 19013 4990 1 9 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.122 0.073 19013 4991 1 9 . 1 1 72 72 ARG C C 72 178.495 178.495 176.919 1.576 19013 4992 1 9 . 1 1 72 72 ARG CA C 72 60.196 60.196 59.128 1.068 19013 4993 1 9 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.220 -0.398 19013 4994 1 9 . 1 1 73 73 THR N N 73 103.467 103.467 107.590 -4.123 19013 4995 1 9 . 1 1 73 73 THR HA H 73 4.196 4.196 4.556 -0.360 19013 4996 1 9 . 1 1 73 73 THR C C 73 171.300 171.300 173.096 -1.796 19013 4997 1 9 . 1 1 73 73 THR CA C 73 59.336 59.336 61.266 -1.930 19013 4998 1 9 . 1 1 73 73 THR CB C 73 69.837 69.837 70.089 -0.252 19013 4999 1 9 . 1 1 74 74 TRP N N 74 112.582 112.582 119.841 -7.259 19013 5000 1 9 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.697 0.010 19013 5001 1 9 . 1 1 74 74 TRP C C 74 176.667 176.667 174.071 2.596 19013 5002 1 9 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.607 0.275 19013 5003 1 9 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.239 0.621 19013 5004 1 9 . 1 1 75 75 THR N N 75 114.629 114.629 116.391 -1.762 19013 5005 1 9 . 1 1 75 75 THR HA H 75 4.594 4.594 4.760 -0.166 19013 5006 1 9 . 1 1 75 75 THR C C 75 170.237 170.237 173.358 -3.121 19013 5007 1 9 . 1 1 75 75 THR CA C 75 61.354 61.354 60.660 0.694 19013 5008 1 9 . 1 1 75 75 THR CB C 75 69.887 69.887 71.639 -1.752 19013 5009 1 9 . 1 1 76 76 LYS N N 76 130.596 130.596 127.406 3.190 19013 5010 1 9 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.529 0.193 19013 5011 1 9 . 1 1 76 76 LYS C C 76 177.934 177.934 175.625 2.309 19013 5012 1 9 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.071 0.969 19013 5013 1 9 . 1 1 76 76 LYS CB C 76 35.170 35.170 34.008 1.161 19013 5014 1 9 . 1 1 77 77 LEU N N 77 128.006 128.006 127.851 0.155 19013 5015 1 9 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.719 -0.432 19013 5016 1 9 . 1 1 77 77 LEU C C 77 174.557 174.557 176.225 -1.668 19013 5017 1 9 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.001 1.297 19013 5018 1 9 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.316 2.784 19013 5019 1 9 . 1 1 78 78 THR N N 78 123.666 123.666 121.022 2.644 19013 5020 1 9 . 1 1 78 78 THR HA H 78 4.435 4.435 4.928 -0.493 19013 5021 1 9 . 1 1 78 78 THR C C 78 174.067 174.067 174.037 0.030 19013 5022 1 9 . 1 1 78 78 THR CA C 78 62.500 62.500 61.560 0.940 19013 5023 1 9 . 1 1 78 78 THR CB C 78 67.902 67.902 69.564 -1.662 19013 5024 1 9 . 1 1 79 79 TYR N N 79 125.290 125.290 125.746 -0.456 19013 5025 1 9 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.647 0.305 19013 5026 1 9 . 1 1 79 79 TYR C C 79 176.523 176.523 177.069 -0.546 19013 5027 1 9 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.143 0.236 19013 5028 1 9 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.404 0.416 19013 5029 1 9 . 1 1 80 80 ALA N N 80 121.971 121.971 122.748 -0.777 19013 5030 1 9 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.819 0.241 19013 5031 1 9 . 1 1 80 80 ALA C C 80 177.255 177.255 177.266 -0.011 19013 5032 1 9 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.873 0.057 19013 5033 1 9 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.071 2.115 19013 5034 1 9 . 1 1 81 81 ASN N N 81 112.786 112.786 118.581 -5.795 19013 5035 1 9 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.879 0.218 19013 5036 1 9 . 1 1 81 81 ASN C C 81 175.438 175.438 175.962 -0.524 19013 5037 1 9 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.715 -1.226 19013 5038 1 9 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.355 2.075 19013 5039 1 9 . 1 1 82 82 HIS N N 82 123.560 123.560 123.709 -0.149 19013 5040 1 9 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.298 -0.011 19013 5041 1 9 . 1 1 82 82 HIS C C 82 176.494 176.494 177.000 -0.506 19013 5042 1 9 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.594 -1.503 19013 5043 1 9 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.997 -1.434 19013 5044 1 9 . 1 1 83 83 SER N N 83 114.623 114.623 113.695 0.928 19013 5045 1 9 . 1 1 83 83 SER HA H 83 4.095 4.095 4.207 -0.112 19013 5046 1 9 . 1 1 83 83 SER C C 83 177.619 177.619 176.651 0.968 19013 5047 1 9 . 1 1 83 83 SER CA C 83 61.637 61.637 61.900 -0.263 19013 5048 1 9 . 1 1 83 83 SER CB C 83 61.644 61.644 62.872 -1.228 19013 5049 1 9 . 1 1 84 84 SER N N 84 120.863 120.863 117.730 3.133 19013 5050 1 9 . 1 1 84 84 SER HA H 84 3.935 3.935 3.944 -0.009 19013 5051 1 9 . 1 1 84 84 SER C C 84 173.466 173.466 176.093 -2.627 19013 5052 1 9 . 1 1 84 84 SER CA C 84 62.250 62.250 59.956 2.294 19013 5053 1 9 . 1 1 84 84 SER CB C 84 62.700 62.700 63.146 -0.446 19013 5054 1 9 . 1 1 85 85 TYR N N 85 122.263 122.263 124.177 -1.914 19013 5055 1 9 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.076 -0.307 19013 5056 1 9 . 1 1 85 85 TYR C C 85 175.010 175.010 177.686 -2.676 19013 5057 1 9 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.310 -0.637 19013 5058 1 9 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.388 -0.763 19013 5059 1 9 . 1 1 86 86 LEU N N 86 117.366 117.366 120.050 -2.684 19013 5060 1 9 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.725 -0.188 19013 5061 1 9 . 1 1 86 86 LEU C C 86 179.942 179.942 178.820 1.122 19013 5062 1 9 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.301 -0.032 19013 5063 1 9 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.683 0.011 19013 5064 1 9 . 1 1 87 87 ARG N N 87 118.578 118.578 117.959 0.619 19013 5065 1 9 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.973 -0.125 19013 5066 1 9 . 1 1 87 87 ARG C C 87 178.784 178.784 178.050 0.734 19013 5067 1 9 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.641 -1.200 19013 5068 1 9 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.660 -0.719 19013 5069 1 9 . 1 1 88 88 ALA N N 88 123.868 123.868 122.543 1.325 19013 5070 1 9 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.402 -0.859 19013 5071 1 9 . 1 1 88 88 ALA C C 88 179.517 179.517 178.253 1.264 19013 5072 1 9 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.859 1.555 19013 5073 1 9 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.473 -0.331 19013 5074 1 9 . 1 1 89 89 LEU N N 89 114.573 114.573 118.005 -3.432 19013 5075 1 9 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.217 -0.293 19013 5076 1 9 . 1 1 89 89 LEU C C 89 180.088 180.088 176.642 3.446 19013 5077 1 9 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.988 2.429 19013 5078 1 9 . 1 1 89 89 LEU CB C 89 41.886 41.886 40.551 1.335 19013 5079 1 9 . 1 1 90 90 ARG N N 90 116.735 116.735 120.856 -4.121 19013 5080 1 9 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.162 -0.030 19013 5081 1 9 . 1 1 90 90 ARG C C 90 177.429 177.429 175.918 1.511 19013 5082 1 9 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.158 0.641 19013 5083 1 9 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.495 0.339 19013 5084 1 9 . 1 1 91 91 GLU N N 91 115.787 115.787 123.182 -7.395 19013 5085 1 9 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.403 -0.256 19013 5086 1 9 . 1 1 91 91 GLU C C 91 176.303 176.303 175.053 1.250 19013 5087 1 9 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.077 -1.741 19013 5088 1 9 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.134 -0.429 19013 5089 1 9 . 1 1 92 92 HIS N N 92 118.997 118.997 124.661 -5.664 19013 5090 1 9 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.729 -0.458 19013 5091 1 9 . 1 1 92 92 HIS C C 92 176.823 176.823 175.830 0.993 19013 5092 1 9 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.223 4.230 19013 5093 1 9 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.254 0.558 19013 5094 1 9 . 1 1 93 93 GLY N N 93 116.944 116.944 110.209 6.735 19013 5095 1 9 . 1 1 93 93 GLY C C 93 174.512 174.512 174.255 0.257 19013 5096 1 9 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.234 -0.258 19013 5097 1 9 . 1 1 94 94 THR N N 94 117.838 117.838 118.254 -0.416 19013 5098 1 9 . 1 1 94 94 THR HA H 94 4.059 4.059 4.141 -0.082 19013 5099 1 9 . 1 1 94 94 THR C C 94 172.656 172.656 173.765 -1.109 19013 5100 1 9 . 1 1 94 94 THR CA C 94 63.330 63.330 63.386 -0.056 19013 5101 1 9 . 1 1 94 94 THR CB C 94 69.936 69.936 68.819 1.117 19013 5102 1 9 . 1 1 95 95 ILE N N 95 124.155 124.155 127.767 -3.612 19013 5103 1 9 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.189 0.199 19013 5104 1 9 . 1 1 95 95 ILE C C 95 175.534 175.534 175.125 0.409 19013 5105 1 9 . 1 1 95 95 ILE CA C 95 59.777 59.777 61.040 -1.263 19013 5106 1 9 . 1 1 95 95 ILE CB C 95 35.990 35.990 38.430 -2.440 19013 5107 1 9 . 1 1 96 96 TYR N N 96 130.370 130.370 128.483 1.887 19013 5108 1 9 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.776 -0.213 19013 5109 1 9 . 1 1 96 96 TYR C C 96 174.539 174.539 175.589 -1.050 19013 5110 1 9 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.526 -1.070 19013 5111 1 9 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.014 -0.287 19013 5112 1 9 . 1 1 97 97 CYS N N 97 123.936 123.936 124.278 -0.342 19013 5113 1 9 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.126 -0.468 19013 5114 1 9 . 1 1 97 97 CYS C C 97 175.798 175.798 175.287 0.511 19013 5115 1 9 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.190 0.631 19013 5116 1 9 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.317 -0.838 19013 5117 1 9 . 1 1 98 98 GLY N N 98 103.268 103.268 105.496 -2.228 19013 5118 1 9 . 1 1 98 98 GLY C C 98 173.270 173.270 173.231 0.039 19013 5119 1 9 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.818 0.494 19013 5120 1 9 . 1 1 99 99 ALA N N 99 123.511 123.511 123.120 0.391 19013 5121 1 9 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.604 0.091 19013 5122 1 9 . 1 1 99 99 ALA C C 99 175.215 175.215 175.280 -0.065 19013 5123 1 9 . 1 1 99 99 ALA CA C 99 50.778 50.778 51.062 -0.284 19013 5124 1 9 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.196 0.559 19013 5125 1 9 . 1 1 100 100 ALA N N 100 124.957 124.957 123.769 1.188 19013 5126 1 9 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.223 -0.590 19013 5127 1 9 . 1 1 100 100 ALA C C 100 177.477 177.477 178.079 -0.602 19013 5128 1 9 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.576 -0.053 19013 5129 1 9 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.279 -1.110 19013 5130 1 9 . 1 1 101 101 ILE N N 101 121.598 121.598 119.673 1.925 19013 5131 1 9 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.303 0.152 19013 5132 1 9 . 1 1 101 101 ILE C C 101 175.956 175.956 175.534 0.422 19013 5133 1 9 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.454 -0.490 19013 5134 1 9 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.321 1.514 19013 5135 1 9 . 1 1 102 102 GLY N N 102 113.717 113.717 113.774 -0.057 19013 5136 1 9 . 1 1 102 102 GLY C C 102 172.857 172.857 171.982 0.875 19013 5137 1 9 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.578 -1.135 19013 5138 1 9 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.586 -0.052 19013 5139 1 9 . 1 1 103 103 CYS C C 103 172.624 172.624 173.453 -0.829 19013 5140 1 9 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.155 2.548 19013 5141 1 9 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.589 -2.246 19013 5142 1 9 . 1 1 104 104 VAL N N 104 118.519 118.519 124.016 -5.497 19013 5143 1 9 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.773 0.132 19013 5144 1 9 . 1 1 104 104 VAL C C 104 172.705 172.705 173.455 -0.750 19013 5145 1 9 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.304 -0.891 19013 5146 1 9 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.966 -0.863 19013 5147 1 9 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.615 0.000 19013 5148 1 9 . 1 1 105 105 PRO C C 105 176.557 176.557 176.046 0.511 19013 5149 1 9 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.018 0.536 19013 5150 1 9 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.394 0.272 19013 5151 1 9 . 1 1 106 106 TYR N N 106 121.923 121.923 123.543 -1.620 19013 5152 1 9 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.237 -0.407 19013 5153 1 9 . 1 1 106 106 TYR C C 106 174.643 174.643 174.909 -0.266 19013 5154 1 9 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.262 0.756 19013 5155 1 9 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.688 0.699 19013 5156 1 9 . 1 1 107 107 LYS N N 107 124.087 124.087 127.032 -2.945 19013 5157 1 9 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.611 -0.430 19013 5158 1 9 . 1 1 107 107 LYS C C 107 176.443 176.443 175.961 0.482 19013 5159 1 9 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.378 0.399 19013 5160 1 9 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.325 0.600 19013 5161 1 9 . 1 1 108 108 HIS N N 108 124.171 124.171 124.557 -0.386 19013 5162 1 9 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.087 -0.127 19013 5163 1 9 . 1 1 108 108 HIS C C 108 176.998 176.998 177.106 -0.108 19013 5164 1 9 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.307 -0.708 19013 5165 1 9 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.018 -1.470 19013 5166 1 9 . 1 1 109 109 GLU N N 109 118.941 118.941 119.344 -0.403 19013 5167 1 9 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.876 0.037 19013 5168 1 9 . 1 1 109 109 GLU C C 109 177.738 177.738 178.119 -0.381 19013 5169 1 9 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.686 -0.349 19013 5170 1 9 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.051 -0.332 19013 5171 1 9 . 1 1 110 110 LEU N N 110 118.555 118.555 120.148 -1.593 19013 5172 1 9 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.855 0.146 19013 5173 1 9 . 1 1 110 110 LEU C C 110 177.872 177.872 178.113 -0.241 19013 5174 1 9 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.732 -1.359 19013 5175 1 9 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.608 0.347 19013 5176 1 9 . 1 1 111 111 ILE N N 111 117.129 117.129 118.403 -1.274 19013 5177 1 9 . 1 1 111 111 ILE HA H 111 2.970 2.970 2.890 0.080 19013 5178 1 9 . 1 1 111 111 ILE C C 111 178.773 178.773 178.137 0.636 19013 5179 1 9 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.153 -0.415 19013 5180 1 9 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.708 -0.290 19013 5181 1 9 . 1 1 112 112 SER N N 112 116.165 116.165 116.084 0.081 19013 5182 1 9 . 1 1 112 112 SER HA H 112 4.000 4.000 3.923 0.077 19013 5183 1 9 . 1 1 112 112 SER C C 112 176.313 176.313 176.728 -0.415 19013 5184 1 9 . 1 1 112 112 SER CA C 112 61.433 61.433 62.328 -0.895 19013 5185 1 9 . 1 1 112 112 SER CB C 112 62.188 62.188 62.416 -0.228 19013 5186 1 9 . 1 1 113 113 GLU N N 113 120.732 120.732 121.743 -1.011 19013 5187 1 9 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.837 0.149 19013 5188 1 9 . 1 1 113 113 GLU C C 113 178.799 178.799 178.998 -0.199 19013 5189 1 9 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.109 -0.588 19013 5190 1 9 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.568 -0.186 19013 5191 1 9 . 1 1 114 114 LEU N N 114 119.452 119.452 119.363 0.089 19013 5192 1 9 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.910 -0.187 19013 5193 1 9 . 1 1 114 114 LEU C C 114 179.184 179.184 179.056 0.128 19013 5194 1 9 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.735 -1.051 19013 5195 1 9 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.448 -1.461 19013 5196 1 9 . 1 1 115 115 SER N N 115 112.708 112.708 114.739 -2.031 19013 5197 1 9 . 1 1 115 115 SER HA H 115 4.615 4.615 4.372 0.243 19013 5198 1 9 . 1 1 115 115 SER C C 115 174.994 174.994 177.002 -2.008 19013 5199 1 9 . 1 1 115 115 SER CA C 115 59.706 59.706 62.055 -2.349 19013 5200 1 9 . 1 1 115 115 SER CB C 115 63.512 63.512 63.123 0.389 19013 5201 1 9 . 1 1 116 116 ARG N N 116 121.600 121.600 119.878 1.722 19013 5202 1 9 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.174 0.067 19013 5203 1 9 . 1 1 116 116 ARG C C 116 176.893 176.893 176.293 0.600 19013 5204 1 9 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.304 -0.283 19013 5205 1 9 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.584 -0.421 19013 5206 1 9 . 1 1 117 117 GLU N N 117 120.450 120.450 117.861 2.589 19013 5207 1 9 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.096 0.144 19013 5208 1 9 . 1 1 117 117 GLU C C 117 177.260 177.260 176.088 1.172 19013 5209 1 9 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.866 0.176 19013 5210 1 9 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.111 1.652 19013 5211 1 9 . 1 1 118 118 GLY N N 118 108.905 108.905 111.902 -2.997 19013 5212 1 9 . 1 1 118 118 GLY C C 118 174.225 174.225 174.671 -0.446 19013 5213 1 9 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.479 0.904 19013 5214 1 9 . 1 1 119 119 HIS N N 119 117.625 117.625 125.123 -7.498 19013 5215 1 9 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.225 0.434 19013 5216 1 9 . 1 1 119 119 HIS C C 119 174.439 174.439 175.844 -1.405 19013 5217 1 9 . 1 1 119 119 HIS CA C 119 55.413 55.413 60.148 -4.735 19013 5218 1 9 . 1 1 119 119 HIS CB C 119 28.904 28.904 30.293 -1.389 19013 5219 1 9 . 1 1 120 120 HIS N N 120 119.015 119.015 117.359 1.656 19013 5220 1 9 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.443 0.229 19013 5221 1 9 . 1 1 120 120 HIS C C 120 174.259 174.259 177.366 -3.107 19013 5222 1 9 . 1 1 120 120 HIS CA C 120 55.321 55.321 58.109 -2.788 19013 5223 1 9 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.313 -1.215 19013 5224 1 9 . 1 1 121 121 HIS N N 121 119.872 119.872 117.810 2.062 19013 5225 1 9 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.332 0.348 19013 5226 1 9 . 1 1 121 121 HIS C C 121 174.245 174.245 175.033 -0.788 19013 5227 1 9 . 1 1 121 121 HIS CA C 121 55.389 55.389 57.524 -2.135 19013 5228 1 9 . 1 1 121 121 HIS CB C 121 29.259 29.259 30.563 -1.304 19013 5229 1 9 . 1 1 122 122 HIS N N 122 120.597 120.597 115.229 5.368 19013 5230 1 9 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.504 0.183 19013 5231 1 9 . 1 1 122 122 HIS C C 122 174.101 174.101 172.879 1.222 19013 5232 1 9 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.318 -0.931 19013 5233 1 9 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.387 -1.038 19013 5234 1 9 . 1 1 123 123 HIS N N 123 120.680 120.680 125.141 -4.461 19013 5235 1 9 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.484 0.172 19013 5236 1 9 . 1 1 123 123 HIS C C 123 173.591 173.591 173.223 0.368 19013 5237 1 9 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.929 -0.366 19013 5238 1 9 . 1 1 123 123 HIS CB C 123 29.456 29.456 31.670 -2.214 19013 5239 1 10 . 1 1 2 2 SER HA H 2 4.167 4.167 4.434 -0.267 19013 5240 1 10 . 1 1 2 2 SER C C 2 170.960 170.960 174.631 -3.671 19013 5241 1 10 . 1 1 2 2 SER CA C 2 57.139 57.139 58.958 -1.819 19013 5242 1 10 . 1 1 2 2 SER CB C 2 63.027 63.027 63.659 -0.632 19013 5243 1 10 . 1 1 3 3 LEU N N 3 123.102 123.102 122.655 0.447 19013 5244 1 10 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.164 0.251 19013 5245 1 10 . 1 1 3 3 LEU C C 3 177.886 177.886 178.723 -0.837 19013 5246 1 10 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.642 -0.017 19013 5247 1 10 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.711 0.624 19013 5248 1 10 . 1 1 4 4 GLY N N 4 110.546 110.546 113.810 -3.264 19013 5249 1 10 . 1 1 4 4 GLY C C 4 174.473 174.473 174.368 0.105 19013 5250 1 10 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.040 0.230 19013 5251 1 10 . 1 1 5 5 SER N N 5 115.839 115.839 118.954 -3.115 19013 5252 1 10 . 1 1 5 5 SER HA H 5 4.472 4.472 4.625 -0.153 19013 5253 1 10 . 1 1 5 5 SER C C 5 175.085 175.085 173.655 1.430 19013 5254 1 10 . 1 1 5 5 SER CA C 5 58.419 58.419 57.942 0.477 19013 5255 1 10 . 1 1 5 5 SER CB C 5 63.648 63.648 65.795 -2.147 19013 5256 1 10 . 1 1 6 6 GLU N N 6 122.855 122.855 124.732 -1.877 19013 5257 1 10 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.410 -0.070 19013 5258 1 10 . 1 1 6 6 GLU C C 6 176.767 176.767 175.935 0.832 19013 5259 1 10 . 1 1 6 6 GLU CA C 6 57.020 57.020 55.908 1.112 19013 5260 1 10 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.215 1.570 19013 5261 1 10 . 1 1 7 7 SER N N 7 116.046 116.046 117.784 -1.738 19013 5262 1 10 . 1 1 7 7 SER HA H 7 4.444 4.444 4.300 0.144 19013 5263 1 10 . 1 1 7 7 SER C C 7 174.946 174.946 175.483 -0.537 19013 5264 1 10 . 1 1 7 7 SER CA C 7 58.587 58.587 58.718 -0.131 19013 5265 1 10 . 1 1 7 7 SER CB C 7 63.645 63.645 63.171 0.474 19013 5266 1 10 . 1 1 8 8 GLU N N 8 122.758 122.758 127.273 -4.515 19013 5267 1 10 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.243 0.129 19013 5268 1 10 . 1 1 8 8 GLU C C 8 176.929 176.929 176.410 0.519 19013 5269 1 10 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.787 -0.885 19013 5270 1 10 . 1 1 8 8 GLU CB C 8 29.837 29.837 30.049 -0.212 19013 5271 1 10 . 1 1 9 9 THR N N 9 113.221 113.221 115.569 -2.348 19013 5272 1 10 . 1 1 9 9 THR HA H 9 4.295 4.295 4.084 0.211 19013 5273 1 10 . 1 1 9 9 THR C C 9 175.371 175.371 173.343 2.028 19013 5274 1 10 . 1 1 9 9 THR CA C 9 62.279 62.279 61.945 0.334 19013 5275 1 10 . 1 1 9 9 THR CB C 9 69.828 69.828 68.558 1.270 19013 5276 1 10 . 1 1 10 10 GLY N N 10 110.774 110.774 111.688 -0.914 19013 5277 1 10 . 1 1 10 10 GLY C C 10 173.283 173.283 174.345 -1.062 19013 5278 1 10 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.288 0.443 19013 5279 1 10 . 1 1 11 11 ASN N N 11 116.215 116.215 118.304 -2.089 19013 5280 1 10 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.774 -0.507 19013 5281 1 10 . 1 1 11 11 ASN C C 11 174.352 174.352 174.642 -0.290 19013 5282 1 10 . 1 1 11 11 ASN CA C 11 52.467 52.467 53.054 -0.587 19013 5283 1 10 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.820 0.663 19013 5284 1 10 . 1 1 12 12 ALA N N 12 121.979 121.979 122.543 -0.564 19013 5285 1 10 . 1 1 12 12 ALA HA H 12 5.985 5.985 4.724 1.261 19013 5286 1 10 . 1 1 12 12 ALA C C 12 177.325 177.325 176.460 0.865 19013 5287 1 10 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.706 -1.169 19013 5288 1 10 . 1 1 12 12 ALA CB C 12 21.830 21.830 19.599 2.231 19013 5289 1 10 . 1 1 13 13 VAL N N 13 116.191 116.191 117.014 -0.823 19013 5290 1 10 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.002 0.324 19013 5291 1 10 . 1 1 13 13 VAL C C 13 175.275 175.275 174.414 0.861 19013 5292 1 10 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.248 -0.486 19013 5293 1 10 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.308 -0.147 19013 5294 1 10 . 1 1 14 14 VAL N N 14 119.334 119.334 121.302 -1.968 19013 5295 1 10 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.669 0.569 19013 5296 1 10 . 1 1 14 14 VAL C C 14 174.716 174.716 174.960 -0.244 19013 5297 1 10 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.427 -0.131 19013 5298 1 10 . 1 1 14 14 VAL CB C 14 34.380 34.380 33.171 1.209 19013 5299 1 10 . 1 1 15 15 VAL N N 15 127.812 127.812 128.080 -0.268 19013 5300 1 10 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.293 0.015 19013 5301 1 10 . 1 1 15 15 VAL C C 15 176.256 176.256 175.231 1.025 19013 5302 1 10 . 1 1 15 15 VAL CA C 15 60.155 60.155 61.080 -0.925 19013 5303 1 10 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.355 -0.054 19013 5304 1 10 . 1 1 16 16 PHE N N 16 122.243 122.243 121.484 0.759 19013 5305 1 10 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.134 0.785 19013 5306 1 10 . 1 1 16 16 PHE C C 16 174.623 174.623 174.780 -0.157 19013 5307 1 10 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.233 0.902 19013 5308 1 10 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.143 -0.050 19013 5309 1 10 . 1 1 17 17 GLY N N 17 106.894 106.894 105.862 1.032 19013 5310 1 10 . 1 1 17 17 GLY C C 17 174.023 174.023 173.714 0.309 19013 5311 1 10 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.312 -0.351 19013 5312 1 10 . 1 1 18 18 TYR N N 18 115.205 115.205 118.271 -3.066 19013 5313 1 10 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.955 -0.089 19013 5314 1 10 . 1 1 18 18 TYR C C 18 173.847 173.847 173.561 0.286 19013 5315 1 10 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.886 -2.721 19013 5316 1 10 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.618 0.213 19013 5317 1 10 . 1 1 19 19 ARG N N 19 116.814 116.814 117.668 -0.854 19013 5318 1 10 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.641 -0.186 19013 5319 1 10 . 1 1 19 19 ARG C C 19 177.198 177.198 177.129 0.069 19013 5320 1 10 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.662 0.266 19013 5321 1 10 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.237 -1.516 19013 5322 1 10 . 1 1 20 20 GLU N N 20 125.261 125.261 120.219 5.042 19013 5323 1 10 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.070 -0.013 19013 5324 1 10 . 1 1 20 20 GLU C C 20 180.643 180.643 178.087 2.556 19013 5325 1 10 . 1 1 20 20 GLU CA C 20 59.529 59.529 59.219 0.310 19013 5326 1 10 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.562 0.301 19013 5327 1 10 . 1 1 21 21 ALA N N 21 119.760 119.760 118.962 0.798 19013 5328 1 10 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.224 0.130 19013 5329 1 10 . 1 1 21 21 ALA C C 21 179.291 179.291 178.446 0.845 19013 5330 1 10 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.965 0.715 19013 5331 1 10 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.484 0.926 19013 5332 1 10 . 1 1 22 22 ILE N N 22 109.751 109.751 113.409 -3.658 19013 5333 1 10 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.348 0.827 19013 5334 1 10 . 1 1 22 22 ILE C C 22 175.636 175.636 176.367 -0.731 19013 5335 1 10 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.009 0.222 19013 5336 1 10 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.849 1.595 19013 5337 1 10 . 1 1 23 23 THR N N 23 118.763 118.763 119.647 -0.884 19013 5338 1 10 . 1 1 23 23 THR HA H 23 3.375 3.375 3.746 -0.371 19013 5339 1 10 . 1 1 23 23 THR C C 23 175.159 175.159 176.386 -1.227 19013 5340 1 10 . 1 1 23 23 THR CA C 23 68.267 68.267 67.463 0.804 19013 5341 1 10 . 1 1 23 23 THR CB C 23 69.564 69.564 68.626 0.938 19013 5342 1 10 . 1 1 24 24 LYS N N 24 118.723 118.723 119.819 -1.096 19013 5343 1 10 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.004 -0.341 19013 5344 1 10 . 1 1 24 24 LYS C C 24 178.421 178.421 179.387 -0.966 19013 5345 1 10 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.257 1.797 19013 5346 1 10 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.647 0.134 19013 5347 1 10 . 1 1 25 25 GLN N N 25 118.276 118.276 118.923 -0.647 19013 5348 1 10 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.097 -0.054 19013 5349 1 10 . 1 1 25 25 GLN C C 25 179.248 179.248 178.592 0.656 19013 5350 1 10 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.977 0.703 19013 5351 1 10 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.814 -0.569 19013 5352 1 10 . 1 1 26 26 ILE N N 26 122.000 122.000 119.256 2.744 19013 5353 1 10 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.493 0.276 19013 5354 1 10 . 1 1 26 26 ILE C C 26 177.797 177.797 177.909 -0.112 19013 5355 1 10 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.937 -1.759 19013 5356 1 10 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.573 -1.982 19013 5357 1 10 . 1 1 27 27 LEU N N 27 119.685 119.685 122.414 -2.729 19013 5358 1 10 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.947 -0.029 19013 5359 1 10 . 1 1 27 27 LEU C C 27 178.173 178.173 177.969 0.204 19013 5360 1 10 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.240 0.066 19013 5361 1 10 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.577 -0.490 19013 5362 1 10 . 1 1 28 28 ALA N N 28 118.927 118.927 119.544 -0.617 19013 5363 1 10 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.089 -0.227 19013 5364 1 10 . 1 1 28 28 ALA C C 28 179.693 179.693 178.529 1.164 19013 5365 1 10 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.569 0.333 19013 5366 1 10 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.439 -0.323 19013 5367 1 10 . 1 1 29 29 TYR N N 29 119.687 119.687 117.690 1.997 19013 5368 1 10 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.350 -0.428 19013 5369 1 10 . 1 1 29 29 TYR C C 29 178.234 178.234 177.086 1.148 19013 5370 1 10 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.567 0.569 19013 5371 1 10 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.540 -1.164 19013 5372 1 10 . 1 1 30 30 PHE N N 30 115.353 115.353 117.826 -2.473 19013 5373 1 10 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.481 -0.552 19013 5374 1 10 . 1 1 30 30 PHE C C 30 180.031 180.031 176.953 3.078 19013 5375 1 10 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.340 2.475 19013 5376 1 10 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.837 -0.886 19013 5377 1 10 . 1 1 31 31 ALA N N 31 125.929 125.929 123.325 2.604 19013 5378 1 10 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.059 0.403 19013 5379 1 10 . 1 1 31 31 ALA C C 31 178.235 178.235 178.879 -0.644 19013 5380 1 10 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.858 -1.064 19013 5381 1 10 . 1 1 31 31 ALA CB C 31 17.482 17.482 17.921 -0.439 19013 5382 1 10 . 1 1 32 32 GLN N N 32 113.541 113.541 118.314 -4.773 19013 5383 1 10 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.937 0.019 19013 5384 1 10 . 1 1 32 32 GLN C C 32 177.465 177.465 177.385 0.080 19013 5385 1 10 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.864 -0.905 19013 5386 1 10 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.208 0.877 19013 5387 1 10 . 1 1 33 33 PHE N N 33 114.638 114.638 115.274 -0.636 19013 5388 1 10 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.527 0.123 19013 5389 1 10 . 1 1 33 33 PHE C C 33 175.848 175.848 177.100 -1.252 19013 5390 1 10 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.593 -2.527 19013 5391 1 10 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.185 -2.255 19013 5392 1 10 . 1 1 34 34 GLY N N 34 106.452 106.452 107.446 -0.994 19013 5393 1 10 . 1 1 34 34 GLY C C 34 170.428 170.428 173.308 -2.880 19013 5394 1 10 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.770 -0.206 19013 5395 1 10 . 1 1 35 35 GLU N N 35 118.228 118.228 124.730 -6.502 19013 5396 1 10 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.185 -0.019 19013 5397 1 10 . 1 1 35 35 GLU C C 35 175.939 175.939 175.167 0.772 19013 5398 1 10 . 1 1 35 35 GLU CA C 35 57.385 57.385 57.281 0.104 19013 5399 1 10 . 1 1 35 35 GLU CB C 35 30.115 30.115 29.275 0.840 19013 5400 1 10 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.294 0.270 19013 5401 1 10 . 1 1 36 36 ILE C C 36 176.530 176.530 174.774 1.756 19013 5402 1 10 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.709 -0.862 19013 5403 1 10 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.894 1.700 19013 5404 1 10 . 1 1 37 37 LEU N N 37 125.464 125.464 117.271 8.193 19013 5405 1 10 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.496 -0.407 19013 5406 1 10 . 1 1 37 37 LEU C C 37 178.470 178.470 177.022 1.448 19013 5407 1 10 . 1 1 37 37 LEU CA C 37 57.114 57.114 52.960 4.154 19013 5408 1 10 . 1 1 37 37 LEU CB C 37 42.176 42.176 44.048 -1.872 19013 5409 1 10 . 1 1 38 38 GLU N N 38 120.405 120.405 120.308 0.097 19013 5410 1 10 . 1 1 38 38 GLU HA H 38 4.179 4.179 3.953 0.226 19013 5411 1 10 . 1 1 38 38 GLU C C 38 175.620 175.620 176.301 -0.681 19013 5412 1 10 . 1 1 38 38 GLU CA C 38 58.630 58.630 58.313 0.317 19013 5413 1 10 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.406 -0.855 19013 5414 1 10 . 1 1 39 39 ASP N N 39 117.746 117.746 115.333 2.413 19013 5415 1 10 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.346 0.156 19013 5416 1 10 . 1 1 39 39 ASP C C 39 176.811 176.811 174.313 2.498 19013 5417 1 10 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.983 -1.113 19013 5418 1 10 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.561 -0.180 19013 5419 1 10 . 1 1 40 40 LEU N N 40 127.180 127.180 120.993 6.187 19013 5420 1 10 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.651 -0.341 19013 5421 1 10 . 1 1 40 40 LEU C C 40 177.950 177.950 177.006 0.944 19013 5422 1 10 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.912 -0.808 19013 5423 1 10 . 1 1 40 40 LEU CB C 40 41.706 41.706 44.191 -2.485 19013 5424 1 10 . 1 1 41 41 GLU N N 41 120.599 120.599 115.523 5.076 19013 5425 1 10 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.600 -0.670 19013 5426 1 10 . 1 1 41 41 GLU C C 41 178.353 178.353 175.361 2.992 19013 5427 1 10 . 1 1 41 41 GLU CA C 41 59.238 59.238 56.572 2.666 19013 5428 1 10 . 1 1 41 41 GLU CB C 41 29.391 29.391 31.689 -2.298 19013 5429 1 10 . 1 1 42 42 SER N N 42 114.356 114.356 112.610 1.746 19013 5430 1 10 . 1 1 42 42 SER HA H 42 4.209 4.209 4.923 -0.714 19013 5431 1 10 . 1 1 42 42 SER C C 42 175.221 175.221 172.872 2.349 19013 5432 1 10 . 1 1 42 42 SER CA C 42 60.331 60.331 56.570 3.761 19013 5433 1 10 . 1 1 42 42 SER CB C 42 62.849 62.849 65.403 -2.554 19013 5434 1 10 . 1 1 43 43 GLU N N 43 119.711 119.711 125.171 -5.460 19013 5435 1 10 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.518 -0.232 19013 5436 1 10 . 1 1 43 43 GLU C C 43 176.893 176.893 177.007 -0.114 19013 5437 1 10 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.972 0.621 19013 5438 1 10 . 1 1 43 43 GLU CB C 43 30.441 30.441 31.759 -1.318 19013 5439 1 10 . 1 1 44 44 LEU N N 44 117.788 117.788 117.909 -0.121 19013 5440 1 10 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.495 -0.141 19013 5441 1 10 . 1 1 44 44 LEU C C 44 177.944 177.944 178.059 -0.115 19013 5442 1 10 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.229 -0.288 19013 5443 1 10 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.675 -1.300 19013 5444 1 10 . 1 1 45 45 GLY N N 45 108.349 108.349 106.800 1.549 19013 5445 1 10 . 1 1 45 45 GLY C C 45 173.791 173.791 173.561 0.230 19013 5446 1 10 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.388 0.249 19013 5447 1 10 . 1 1 46 46 ASP N N 46 119.869 119.869 119.120 0.749 19013 5448 1 10 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.795 -0.106 19013 5449 1 10 . 1 1 46 46 ASP C C 46 176.628 176.628 175.210 1.418 19013 5450 1 10 . 1 1 46 46 ASP CA C 46 54.021 54.021 53.259 0.762 19013 5451 1 10 . 1 1 46 46 ASP CB C 46 41.096 41.096 43.496 -2.400 19013 5452 1 10 . 1 1 47 47 THR N N 47 113.962 113.962 112.650 1.312 19013 5453 1 10 . 1 1 47 47 THR HA H 47 4.258 4.258 4.002 0.256 19013 5454 1 10 . 1 1 47 47 THR C C 47 175.277 175.277 174.907 0.370 19013 5455 1 10 . 1 1 47 47 THR CA C 47 62.715 62.715 63.504 -0.789 19013 5456 1 10 . 1 1 47 47 THR CB C 47 69.504 69.504 68.703 0.801 19013 5457 1 10 . 1 1 48 48 GLU N N 48 121.748 121.748 116.403 5.345 19013 5458 1 10 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.407 -0.172 19013 5459 1 10 . 1 1 48 48 GLU C C 48 177.221 177.221 176.556 0.665 19013 5460 1 10 . 1 1 48 48 GLU CA C 48 57.505 57.505 57.137 0.368 19013 5461 1 10 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.402 0.316 19013 5462 1 10 . 1 1 49 49 THR N N 49 113.781 113.781 110.900 2.881 19013 5463 1 10 . 1 1 49 49 THR HA H 49 4.160 4.160 4.396 -0.236 19013 5464 1 10 . 1 1 49 49 THR C C 49 174.979 174.979 174.950 0.029 19013 5465 1 10 . 1 1 49 49 THR CA C 49 62.989 62.989 64.067 -1.078 19013 5466 1 10 . 1 1 49 49 THR CB C 49 69.198 69.198 69.000 0.198 19013 5467 1 10 . 1 1 50 50 MET N N 50 121.133 121.133 122.365 -1.232 19013 5468 1 10 . 1 1 50 50 MET HA H 50 4.295 4.295 4.554 -0.259 19013 5469 1 10 . 1 1 50 50 MET C C 50 175.846 175.846 175.008 0.838 19013 5470 1 10 . 1 1 50 50 MET CA C 50 55.981 55.981 55.412 0.569 19013 5471 1 10 . 1 1 50 50 MET CB C 50 32.549 32.549 32.378 0.171 19013 5472 1 10 . 1 1 51 51 ARG N N 51 120.641 120.641 122.867 -2.226 19013 5473 1 10 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.727 -0.389 19013 5474 1 10 . 1 1 51 51 ARG C C 51 176.213 176.213 174.968 1.245 19013 5475 1 10 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.608 0.271 19013 5476 1 10 . 1 1 51 51 ARG CB C 51 30.606 30.606 32.146 -1.540 19013 5477 1 10 . 1 1 52 52 THR N N 52 116.663 116.663 109.602 7.061 19013 5478 1 10 . 1 1 52 52 THR HA H 52 4.564 4.564 4.798 -0.234 19013 5479 1 10 . 1 1 52 52 THR C C 52 172.814 172.814 172.852 -0.038 19013 5480 1 10 . 1 1 52 52 THR CA C 52 59.828 59.828 59.152 0.676 19013 5481 1 10 . 1 1 52 52 THR CB C 52 69.498 69.498 70.920 -1.422 19013 5482 1 10 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.430 -0.090 19013 5483 1 10 . 1 1 53 53 PRO C C 53 177.518 177.518 176.324 1.194 19013 5484 1 10 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.601 0.389 19013 5485 1 10 . 1 1 53 53 PRO CB C 53 31.917 31.917 32.158 -0.241 19013 5486 1 10 . 1 1 54 54 GLY N N 54 108.804 108.804 107.036 1.768 19013 5487 1 10 . 1 1 54 54 GLY C C 54 174.121 174.121 173.026 1.095 19013 5488 1 10 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.357 0.012 19013 5489 1 10 . 1 1 55 55 TYR N N 55 119.872 119.872 119.275 0.597 19013 5490 1 10 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.015 0.345 19013 5491 1 10 . 1 1 55 55 TYR C C 55 175.550 175.550 174.653 0.897 19013 5492 1 10 . 1 1 55 55 TYR CA C 55 58.508 58.508 57.918 0.590 19013 5493 1 10 . 1 1 55 55 TYR CB C 55 38.907 38.907 38.166 0.741 19013 5494 1 10 . 1 1 56 56 PHE N N 56 121.248 121.248 117.184 4.064 19013 5495 1 10 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.840 -0.411 19013 5496 1 10 . 1 1 56 56 PHE C C 56 175.354 175.354 175.686 -0.332 19013 5497 1 10 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.942 1.196 19013 5498 1 10 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.654 -1.141 19013 5499 1 10 . 1 1 57 57 PHE N N 57 121.226 121.226 117.091 4.135 19013 5500 1 10 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.937 -0.464 19013 5501 1 10 . 1 1 57 57 PHE C C 57 175.182 175.182 175.130 0.052 19013 5502 1 10 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.300 1.526 19013 5503 1 10 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.901 -0.372 19013 5504 1 10 . 1 1 58 58 GLN N N 58 121.160 121.160 123.151 -1.991 19013 5505 1 10 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.526 -0.294 19013 5506 1 10 . 1 1 58 58 GLN C C 58 175.287 175.287 176.437 -1.150 19013 5507 1 10 . 1 1 58 58 GLN CA C 58 55.406 55.406 54.624 0.782 19013 5508 1 10 . 1 1 58 58 GLN CB C 58 29.477 29.477 30.117 -0.640 19013 5509 1 10 . 1 1 59 59 GLN N N 59 120.923 120.923 123.170 -2.247 19013 5510 1 10 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.119 0.167 19013 5511 1 10 . 1 1 59 59 GLN C C 59 175.318 175.318 176.221 -0.903 19013 5512 1 10 . 1 1 59 59 GLN CA C 59 55.297 55.297 57.952 -2.655 19013 5513 1 10 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.296 0.124 19013 5514 1 10 . 1 1 60 60 ALA N N 60 126.737 126.737 120.100 6.637 19013 5515 1 10 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.164 0.372 19013 5516 1 10 . 1 1 60 60 ALA C C 60 175.924 175.924 175.271 0.653 19013 5517 1 10 . 1 1 60 60 ALA CA C 60 50.682 50.682 51.916 -1.234 19013 5518 1 10 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.645 0.527 19013 5519 1 10 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.375 0.029 19013 5520 1 10 . 1 1 61 61 PRO C C 61 176.902 176.902 176.350 0.552 19013 5521 1 10 . 1 1 61 61 PRO CA C 61 63.549 63.549 62.836 0.714 19013 5522 1 10 . 1 1 61 61 PRO CB C 61 31.981 31.981 30.431 1.550 19013 5523 1 10 . 1 1 62 62 ASN N N 62 116.490 116.490 120.163 -3.673 19013 5524 1 10 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.319 0.281 19013 5525 1 10 . 1 1 62 62 ASN C C 62 174.942 174.942 173.918 1.024 19013 5526 1 10 . 1 1 62 62 ASN CA C 62 53.299 53.299 54.231 -0.932 19013 5527 1 10 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.784 0.237 19013 5528 1 10 . 1 1 63 63 ARG N N 63 120.117 120.117 118.903 1.214 19013 5529 1 10 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.686 -0.325 19013 5530 1 10 . 1 1 63 63 ARG C C 63 175.853 175.853 175.165 0.688 19013 5531 1 10 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.509 1.046 19013 5532 1 10 . 1 1 63 63 ARG CB C 63 31.085 31.085 33.236 -2.151 19013 5533 1 10 . 1 1 64 64 ARG N N 64 123.061 123.061 120.216 2.845 19013 5534 1 10 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.629 -0.329 19013 5535 1 10 . 1 1 64 64 ARG C C 64 175.995 175.995 176.006 -0.011 19013 5536 1 10 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.012 -0.009 19013 5537 1 10 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.042 0.438 19013 5538 1 10 . 1 1 65 65 ARG N N 65 123.698 123.698 119.227 4.471 19013 5539 1 10 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.828 -0.252 19013 5540 1 10 . 1 1 65 65 ARG C C 65 176.085 176.085 176.365 -0.280 19013 5541 1 10 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.947 0.501 19013 5542 1 10 . 1 1 65 65 ARG CB C 65 31.155 31.155 29.843 1.312 19013 5543 1 10 . 1 1 66 66 ILE N N 66 120.928 120.928 119.136 1.792 19013 5544 1 10 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.228 0.207 19013 5545 1 10 . 1 1 66 66 ILE C C 66 175.488 175.488 176.654 -1.166 19013 5546 1 10 . 1 1 66 66 ILE CA C 66 60.214 60.214 63.080 -2.866 19013 5547 1 10 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.743 1.411 19013 5548 1 10 . 1 1 67 67 SER N N 67 119.534 119.534 110.934 8.600 19013 5549 1 10 . 1 1 67 67 SER HA H 67 4.431 4.431 4.356 0.075 19013 5550 1 10 . 1 1 67 67 SER C C 67 174.034 174.034 173.244 0.790 19013 5551 1 10 . 1 1 67 67 SER CA C 67 58.599 58.599 58.326 0.273 19013 5552 1 10 . 1 1 67 67 SER CB C 67 63.499 63.499 63.235 0.264 19013 5553 1 10 . 1 1 68 68 ARG N N 68 124.936 124.936 122.028 2.908 19013 5554 1 10 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.546 0.029 19013 5555 1 10 . 1 1 68 68 ARG C C 68 175.967 175.967 175.776 0.191 19013 5556 1 10 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.438 0.016 19013 5557 1 10 . 1 1 68 68 ARG CB C 68 32.473 32.473 30.763 1.710 19013 5558 1 10 . 1 1 69 69 GLU N N 69 136.462 136.462 122.018 14.444 19013 5559 1 10 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.239 0.266 19013 5560 1 10 . 1 1 69 69 GLU C C 69 174.852 174.852 175.421 -0.569 19013 5561 1 10 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.936 -0.742 19013 5562 1 10 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.066 -0.265 19013 5563 1 10 . 1 1 70 70 HIS N N 70 120.728 120.728 118.345 2.383 19013 5564 1 10 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.670 -0.934 19013 5565 1 10 . 1 1 70 70 HIS C C 70 171.455 171.455 173.235 -1.780 19013 5566 1 10 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.242 0.332 19013 5567 1 10 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.293 -1.177 19013 5568 1 10 . 1 1 71 71 GLY N N 71 108.698 108.698 106.632 2.066 19013 5569 1 10 . 1 1 71 71 GLY C C 71 174.611 174.611 173.849 0.762 19013 5570 1 10 . 1 1 71 71 GLY CA C 71 43.064 43.064 44.687 -1.623 19013 5571 1 10 . 1 1 72 72 ARG N N 72 123.350 123.350 117.443 5.907 19013 5572 1 10 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.434 -0.239 19013 5573 1 10 . 1 1 72 72 ARG C C 72 178.495 178.495 175.859 2.636 19013 5574 1 10 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.657 2.539 19013 5575 1 10 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.691 0.131 19013 5576 1 10 . 1 1 73 73 THR N N 73 103.467 103.467 111.155 -7.688 19013 5577 1 10 . 1 1 73 73 THR HA H 73 4.196 4.196 4.538 -0.342 19013 5578 1 10 . 1 1 73 73 THR C C 73 171.300 171.300 173.130 -1.830 19013 5579 1 10 . 1 1 73 73 THR CA C 73 59.336 59.336 61.731 -2.395 19013 5580 1 10 . 1 1 73 73 THR CB C 73 69.837 69.837 69.704 0.133 19013 5581 1 10 . 1 1 74 74 TRP N N 74 112.582 112.582 118.930 -6.348 19013 5582 1 10 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.495 0.212 19013 5583 1 10 . 1 1 74 74 TRP C C 74 176.667 176.667 173.849 2.818 19013 5584 1 10 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.514 0.367 19013 5585 1 10 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.043 0.817 19013 5586 1 10 . 1 1 75 75 THR N N 75 114.629 114.629 118.887 -4.258 19013 5587 1 10 . 1 1 75 75 THR HA H 75 4.594 4.594 4.622 -0.028 19013 5588 1 10 . 1 1 75 75 THR C C 75 170.237 170.237 173.535 -3.298 19013 5589 1 10 . 1 1 75 75 THR CA C 75 61.354 61.354 61.456 -0.102 19013 5590 1 10 . 1 1 75 75 THR CB C 75 69.887 69.887 71.870 -1.983 19013 5591 1 10 . 1 1 76 76 LYS N N 76 130.596 130.596 129.513 1.083 19013 5592 1 10 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.024 0.698 19013 5593 1 10 . 1 1 76 76 LYS C C 76 177.934 177.934 175.636 2.298 19013 5594 1 10 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.852 0.188 19013 5595 1 10 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.108 2.062 19013 5596 1 10 . 1 1 77 77 LEU N N 77 128.006 128.006 130.102 -2.096 19013 5597 1 10 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.590 -0.303 19013 5598 1 10 . 1 1 77 77 LEU C C 77 174.557 174.557 175.872 -1.315 19013 5599 1 10 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.854 1.444 19013 5600 1 10 . 1 1 77 77 LEU CB C 77 46.100 46.100 41.997 4.103 19013 5601 1 10 . 1 1 78 78 THR N N 78 123.666 123.666 120.566 3.100 19013 5602 1 10 . 1 1 78 78 THR HA H 78 4.435 4.435 4.544 -0.109 19013 5603 1 10 . 1 1 78 78 THR C C 78 174.067 174.067 173.840 0.227 19013 5604 1 10 . 1 1 78 78 THR CA C 78 62.500 62.500 61.790 0.710 19013 5605 1 10 . 1 1 78 78 THR CB C 78 67.902 67.902 69.898 -1.996 19013 5606 1 10 . 1 1 79 79 TYR N N 79 125.290 125.290 125.362 -0.072 19013 5607 1 10 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.536 0.416 19013 5608 1 10 . 1 1 79 79 TYR C C 79 176.523 176.523 175.739 0.784 19013 5609 1 10 . 1 1 79 79 TYR CA C 79 59.379 59.379 57.783 1.596 19013 5610 1 10 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.795 1.024 19013 5611 1 10 . 1 1 80 80 ALA N N 80 121.971 121.971 119.234 2.737 19013 5612 1 10 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.998 0.062 19013 5613 1 10 . 1 1 80 80 ALA C C 80 177.255 177.255 175.872 1.383 19013 5614 1 10 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.429 0.501 19013 5615 1 10 . 1 1 80 80 ALA CB C 80 19.186 19.186 18.101 1.085 19013 5616 1 10 . 1 1 81 81 ASN N N 81 112.786 112.786 116.312 -3.526 19013 5617 1 10 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.993 0.104 19013 5618 1 10 . 1 1 81 81 ASN C C 81 175.438 175.438 174.291 1.147 19013 5619 1 10 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.005 -0.517 19013 5620 1 10 . 1 1 81 81 ASN CB C 81 41.430 41.430 41.105 0.326 19013 5621 1 10 . 1 1 82 82 HIS N N 82 123.560 123.560 120.125 3.435 19013 5622 1 10 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.518 -0.231 19013 5623 1 10 . 1 1 82 82 HIS C C 82 176.494 176.494 176.888 -0.394 19013 5624 1 10 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.787 0.304 19013 5625 1 10 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.399 -1.836 19013 5626 1 10 . 1 1 83 83 SER N N 83 114.623 114.623 115.144 -0.521 19013 5627 1 10 . 1 1 83 83 SER HA H 83 4.095 4.095 4.314 -0.219 19013 5628 1 10 . 1 1 83 83 SER C C 83 177.619 177.619 176.233 1.386 19013 5629 1 10 . 1 1 83 83 SER CA C 83 61.637 61.637 61.497 0.140 19013 5630 1 10 . 1 1 83 83 SER CB C 83 61.644 61.644 62.717 -1.073 19013 5631 1 10 . 1 1 84 84 SER N N 84 120.863 120.863 115.702 5.161 19013 5632 1 10 . 1 1 84 84 SER HA H 84 3.935 3.935 4.299 -0.364 19013 5633 1 10 . 1 1 84 84 SER C C 84 173.466 173.466 175.981 -2.515 19013 5634 1 10 . 1 1 84 84 SER CA C 84 62.250 62.250 60.527 1.723 19013 5635 1 10 . 1 1 84 84 SER CB C 84 62.700 62.700 62.331 0.369 19013 5636 1 10 . 1 1 85 85 TYR N N 85 122.263 122.263 123.631 -1.368 19013 5637 1 10 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.189 -0.420 19013 5638 1 10 . 1 1 85 85 TYR C C 85 175.010 175.010 176.907 -1.897 19013 5639 1 10 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.840 -1.167 19013 5640 1 10 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.371 -0.746 19013 5641 1 10 . 1 1 86 86 LEU N N 86 117.366 117.366 117.517 -0.151 19013 5642 1 10 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.958 -0.421 19013 5643 1 10 . 1 1 86 86 LEU C C 86 179.942 179.942 178.606 1.336 19013 5644 1 10 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.420 -0.151 19013 5645 1 10 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.543 0.151 19013 5646 1 10 . 1 1 87 87 ARG N N 87 118.578 118.578 118.462 0.116 19013 5647 1 10 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.104 -0.256 19013 5648 1 10 . 1 1 87 87 ARG C C 87 178.784 178.784 177.947 0.837 19013 5649 1 10 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.938 -1.497 19013 5650 1 10 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.872 -1.931 19013 5651 1 10 . 1 1 88 88 ALA N N 88 123.868 123.868 120.303 3.565 19013 5652 1 10 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.184 -0.641 19013 5653 1 10 . 1 1 88 88 ALA C C 88 179.517 179.517 178.297 1.220 19013 5654 1 10 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.616 1.798 19013 5655 1 10 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.033 0.109 19013 5656 1 10 . 1 1 89 89 LEU N N 89 114.573 114.573 118.683 -4.110 19013 5657 1 10 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.011 -0.087 19013 5658 1 10 . 1 1 89 89 LEU C C 89 180.088 180.088 176.197 3.891 19013 5659 1 10 . 1 1 89 89 LEU CA C 89 57.417 57.417 55.013 2.404 19013 5660 1 10 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.685 0.201 19013 5661 1 10 . 1 1 90 90 ARG N N 90 116.735 116.735 119.223 -2.488 19013 5662 1 10 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.228 -0.096 19013 5663 1 10 . 1 1 90 90 ARG C C 90 177.429 177.429 176.460 0.969 19013 5664 1 10 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.084 1.715 19013 5665 1 10 . 1 1 90 90 ARG CB C 90 29.834 29.834 28.897 0.937 19013 5666 1 10 . 1 1 91 91 GLU N N 91 115.787 115.787 123.172 -7.385 19013 5667 1 10 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.321 -0.174 19013 5668 1 10 . 1 1 91 91 GLU C C 91 176.303 176.303 176.387 -0.084 19013 5669 1 10 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.253 -1.917 19013 5670 1 10 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.069 -0.364 19013 5671 1 10 . 1 1 92 92 HIS N N 92 118.997 118.997 119.312 -0.315 19013 5672 1 10 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.430 -0.159 19013 5673 1 10 . 1 1 92 92 HIS C C 92 176.823 176.823 175.694 1.129 19013 5674 1 10 . 1 1 92 92 HIS CA C 92 59.453 59.453 57.048 2.405 19013 5675 1 10 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.685 1.127 19013 5676 1 10 . 1 1 93 93 GLY N N 93 116.944 116.944 116.393 0.551 19013 5677 1 10 . 1 1 93 93 GLY C C 93 174.512 174.512 174.480 0.032 19013 5678 1 10 . 1 1 93 93 GLY CA C 93 44.976 44.976 44.696 0.280 19013 5679 1 10 . 1 1 94 94 THR N N 94 117.838 117.838 119.579 -1.741 19013 5680 1 10 . 1 1 94 94 THR HA H 94 4.059 4.059 4.566 -0.507 19013 5681 1 10 . 1 1 94 94 THR C C 94 172.656 172.656 172.575 0.081 19013 5682 1 10 . 1 1 94 94 THR CA C 94 63.330 63.330 61.988 1.342 19013 5683 1 10 . 1 1 94 94 THR CB C 94 69.936 69.936 68.295 1.641 19013 5684 1 10 . 1 1 95 95 ILE N N 95 124.155 124.155 126.471 -2.316 19013 5685 1 10 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.714 -0.326 19013 5686 1 10 . 1 1 95 95 ILE C C 95 175.534 175.534 174.822 0.712 19013 5687 1 10 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.473 -0.696 19013 5688 1 10 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.507 -3.517 19013 5689 1 10 . 1 1 96 96 TYR N N 96 130.370 130.370 128.532 1.838 19013 5690 1 10 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.770 -0.207 19013 5691 1 10 . 1 1 96 96 TYR C C 96 174.539 174.539 175.619 -1.080 19013 5692 1 10 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.744 -0.288 19013 5693 1 10 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.747 -0.020 19013 5694 1 10 . 1 1 97 97 CYS N N 97 123.936 123.936 125.872 -1.936 19013 5695 1 10 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.998 -0.340 19013 5696 1 10 . 1 1 97 97 CYS C C 97 175.798 175.798 175.369 0.429 19013 5697 1 10 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.926 0.895 19013 5698 1 10 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.303 -1.824 19013 5699 1 10 . 1 1 98 98 GLY N N 98 103.268 103.268 105.250 -1.982 19013 5700 1 10 . 1 1 98 98 GLY C C 98 173.270 173.270 173.275 -0.005 19013 5701 1 10 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.561 0.751 19013 5702 1 10 . 1 1 99 99 ALA N N 99 123.511 123.511 122.066 1.445 19013 5703 1 10 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.572 0.123 19013 5704 1 10 . 1 1 99 99 ALA C C 99 175.215 175.215 175.090 0.125 19013 5705 1 10 . 1 1 99 99 ALA CA C 99 50.778 50.778 51.064 -0.286 19013 5706 1 10 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.606 0.149 19013 5707 1 10 . 1 1 100 100 ALA N N 100 124.957 124.957 125.166 -0.209 19013 5708 1 10 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.420 -0.787 19013 5709 1 10 . 1 1 100 100 ALA C C 100 177.477 177.477 177.957 -0.480 19013 5710 1 10 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.601 0.922 19013 5711 1 10 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.811 -1.642 19013 5712 1 10 . 1 1 101 101 ILE N N 101 121.598 121.598 120.850 0.748 19013 5713 1 10 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.665 -0.209 19013 5714 1 10 . 1 1 101 101 ILE C C 101 175.956 175.956 175.172 0.784 19013 5715 1 10 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.934 0.030 19013 5716 1 10 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.603 1.232 19013 5717 1 10 . 1 1 102 102 GLY N N 102 113.717 113.717 112.775 0.942 19013 5718 1 10 . 1 1 102 102 GLY C C 102 172.857 172.857 172.949 -0.092 19013 5719 1 10 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.715 -1.271 19013 5720 1 10 . 1 1 103 103 CYS HA H 103 5.534 5.534 4.949 0.585 19013 5721 1 10 . 1 1 103 103 CYS C C 103 172.624 172.624 174.079 -1.455 19013 5722 1 10 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.981 0.722 19013 5723 1 10 . 1 1 103 103 CYS CB C 103 27.343 27.343 27.501 -0.158 19013 5724 1 10 . 1 1 104 104 VAL N N 104 118.519 118.519 121.571 -3.052 19013 5725 1 10 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.708 0.197 19013 5726 1 10 . 1 1 104 104 VAL C C 104 172.705 172.705 173.700 -0.995 19013 5727 1 10 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.952 -0.539 19013 5728 1 10 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.255 -0.152 19013 5729 1 10 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.607 0.008 19013 5730 1 10 . 1 1 105 105 PRO C C 105 176.557 176.557 176.237 0.320 19013 5731 1 10 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.719 0.835 19013 5732 1 10 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.456 0.210 19013 5733 1 10 . 1 1 106 106 TYR N N 106 121.923 121.923 123.763 -1.840 19013 5734 1 10 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.185 -0.355 19013 5735 1 10 . 1 1 106 106 TYR C C 106 174.643 174.643 174.690 -0.047 19013 5736 1 10 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.377 1.641 19013 5737 1 10 . 1 1 106 106 TYR CB C 106 39.387 39.387 37.764 1.623 19013 5738 1 10 . 1 1 107 107 LYS N N 107 124.087 124.087 127.506 -3.419 19013 5739 1 10 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.439 -0.258 19013 5740 1 10 . 1 1 107 107 LYS C C 107 176.443 176.443 176.530 -0.087 19013 5741 1 10 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.851 -0.074 19013 5742 1 10 . 1 1 107 107 LYS CB C 107 35.925 35.925 33.607 2.318 19013 5743 1 10 . 1 1 108 108 HIS N N 108 124.171 124.171 124.174 -0.003 19013 5744 1 10 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.036 -0.076 19013 5745 1 10 . 1 1 108 108 HIS C C 108 176.998 176.998 177.467 -0.469 19013 5746 1 10 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.560 -0.962 19013 5747 1 10 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.850 -1.302 19013 5748 1 10 . 1 1 109 109 GLU N N 109 118.941 118.941 119.790 -0.849 19013 5749 1 10 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.003 -0.090 19013 5750 1 10 . 1 1 109 109 GLU C C 109 177.738 177.738 178.224 -0.486 19013 5751 1 10 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.226 0.111 19013 5752 1 10 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.171 -0.452 19013 5753 1 10 . 1 1 110 110 LEU N N 110 118.555 118.555 120.378 -1.823 19013 5754 1 10 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.947 0.054 19013 5755 1 10 . 1 1 110 110 LEU C C 110 177.872 177.872 178.270 -0.398 19013 5756 1 10 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.747 -1.374 19013 5757 1 10 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.642 0.313 19013 5758 1 10 . 1 1 111 111 ILE N N 111 117.129 117.129 118.789 -1.660 19013 5759 1 10 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.201 -0.231 19013 5760 1 10 . 1 1 111 111 ILE C C 111 178.773 178.773 178.352 0.421 19013 5761 1 10 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.500 -0.762 19013 5762 1 10 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.891 -0.473 19013 5763 1 10 . 1 1 112 112 SER N N 112 116.165 116.165 116.040 0.125 19013 5764 1 10 . 1 1 112 112 SER HA H 112 4.000 4.000 4.046 -0.046 19013 5765 1 10 . 1 1 112 112 SER C C 112 176.313 176.313 176.895 -0.582 19013 5766 1 10 . 1 1 112 112 SER CA C 112 61.433 61.433 61.674 -0.241 19013 5767 1 10 . 1 1 112 112 SER CB C 112 62.188 62.188 62.431 -0.242 19013 5768 1 10 . 1 1 113 113 GLU N N 113 120.732 120.732 120.257 0.475 19013 5769 1 10 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.035 -0.049 19013 5770 1 10 . 1 1 113 113 GLU C C 113 178.799 178.799 179.045 -0.246 19013 5771 1 10 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.823 -0.302 19013 5772 1 10 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.628 -0.246 19013 5773 1 10 . 1 1 114 114 LEU N N 114 119.452 119.452 115.519 3.933 19013 5774 1 10 . 1 1 114 114 LEU HA H 114 3.723 3.723 4.342 -0.619 19013 5775 1 10 . 1 1 114 114 LEU C C 114 179.184 179.184 178.596 0.588 19013 5776 1 10 . 1 1 114 114 LEU CA C 114 56.684 56.684 56.233 0.451 19013 5777 1 10 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.172 -1.185 19013 5778 1 10 . 1 1 115 115 SER N N 115 112.708 112.708 115.002 -2.294 19013 5779 1 10 . 1 1 115 115 SER HA H 115 4.615 4.615 4.370 0.245 19013 5780 1 10 . 1 1 115 115 SER C C 115 174.994 174.994 174.861 0.133 19013 5781 1 10 . 1 1 115 115 SER CA C 115 59.706 59.706 60.188 -0.482 19013 5782 1 10 . 1 1 115 115 SER CB C 115 63.512 63.512 63.176 0.336 19013 5783 1 10 . 1 1 116 116 ARG N N 116 121.600 121.600 119.073 2.527 19013 5784 1 10 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.289 -0.048 19013 5785 1 10 . 1 1 116 116 ARG C C 116 176.893 176.893 176.491 0.402 19013 5786 1 10 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.075 0.947 19013 5787 1 10 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.726 0.438 19013 5788 1 10 . 1 1 117 117 GLU N N 117 120.450 120.450 122.185 -1.735 19013 5789 1 10 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.177 0.063 19013 5790 1 10 . 1 1 117 117 GLU C C 117 177.260 177.260 176.137 1.123 19013 5791 1 10 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.025 1.018 19013 5792 1 10 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.566 1.197 19013 5793 1 10 . 1 1 118 118 GLY N N 118 108.905 108.905 113.243 -4.338 19013 5794 1 10 . 1 1 118 118 GLY C C 118 174.225 174.225 173.049 1.176 19013 5795 1 10 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.980 0.403 19013 5796 1 10 . 1 1 119 119 HIS N N 119 117.625 117.625 120.306 -2.681 19013 5797 1 10 . 1 1 119 119 HIS HA H 119 4.659 4.659 5.042 -0.383 19013 5798 1 10 . 1 1 119 119 HIS C C 119 174.439 174.439 174.629 -0.190 19013 5799 1 10 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.979 -0.566 19013 5800 1 10 . 1 1 119 119 HIS CB C 119 28.904 28.904 32.322 -3.418 19013 5801 1 10 . 1 1 120 120 HIS N N 120 119.015 119.015 122.271 -3.256 19013 5802 1 10 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.874 -0.202 19013 5803 1 10 . 1 1 120 120 HIS C C 120 174.259 174.259 175.056 -0.797 19013 5804 1 10 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.138 0.183 19013 5805 1 10 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.330 -0.232 19013 5806 1 10 . 1 1 121 121 HIS N N 121 119.872 119.872 120.749 -0.877 19013 5807 1 10 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.584 0.096 19013 5808 1 10 . 1 1 121 121 HIS C C 121 174.245 174.245 174.020 0.225 19013 5809 1 10 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.389 -0.000 19013 5810 1 10 . 1 1 121 121 HIS CB C 121 29.259 29.259 30.549 -1.290 19013 5811 1 10 . 1 1 122 122 HIS N N 122 120.597 120.597 119.641 0.956 19013 5812 1 10 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.464 0.223 19013 5813 1 10 . 1 1 122 122 HIS C C 122 174.101 174.101 174.187 -0.086 19013 5814 1 10 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.797 -0.411 19013 5815 1 10 . 1 1 122 122 HIS CB C 122 29.349 29.349 29.723 -0.374 19013 5816 1 10 . 1 1 123 123 HIS N N 123 120.680 120.680 122.809 -2.129 19013 5817 1 10 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.652 0.004 19013 5818 1 10 . 1 1 123 123 HIS C C 123 173.591 173.591 174.411 -0.820 19013 5819 1 10 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.457 0.106 19013 5820 1 10 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.675 -1.220 19013 5821 1 11 . 1 1 2 2 SER HA H 2 4.167 4.167 4.308 -0.141 19013 5822 1 11 . 1 1 2 2 SER C C 2 170.960 170.960 174.480 -3.520 19013 5823 1 11 . 1 1 2 2 SER CA C 2 57.139 57.139 58.681 -1.542 19013 5824 1 11 . 1 1 2 2 SER CB C 2 63.027 63.027 62.900 0.127 19013 5825 1 11 . 1 1 3 3 LEU N N 3 123.102 123.102 121.461 1.641 19013 5826 1 11 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.193 0.222 19013 5827 1 11 . 1 1 3 3 LEU C C 3 177.886 177.886 178.247 -0.361 19013 5828 1 11 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.773 -0.148 19013 5829 1 11 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.227 0.107 19013 5830 1 11 . 1 1 4 4 GLY N N 4 110.546 110.546 106.809 3.737 19013 5831 1 11 . 1 1 4 4 GLY C C 4 174.473 174.473 172.802 1.671 19013 5832 1 11 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.524 0.746 19013 5833 1 11 . 1 1 5 5 SER N N 5 115.839 115.839 114.220 1.619 19013 5834 1 11 . 1 1 5 5 SER HA H 5 4.472 4.472 4.650 -0.178 19013 5835 1 11 . 1 1 5 5 SER C C 5 175.085 175.085 174.367 0.718 19013 5836 1 11 . 1 1 5 5 SER CA C 5 58.419 58.419 57.590 0.829 19013 5837 1 11 . 1 1 5 5 SER CB C 5 63.648 63.648 64.375 -0.727 19013 5838 1 11 . 1 1 6 6 GLU N N 6 122.855 122.855 123.690 -0.835 19013 5839 1 11 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.443 -0.103 19013 5840 1 11 . 1 1 6 6 GLU C C 6 176.767 176.767 176.194 0.573 19013 5841 1 11 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.331 0.689 19013 5842 1 11 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.682 0.103 19013 5843 1 11 . 1 1 7 7 SER N N 7 116.046 116.046 114.949 1.097 19013 5844 1 11 . 1 1 7 7 SER HA H 7 4.444 4.444 4.373 0.071 19013 5845 1 11 . 1 1 7 7 SER C C 7 174.946 174.946 174.490 0.456 19013 5846 1 11 . 1 1 7 7 SER CA C 7 58.587 58.587 59.656 -1.069 19013 5847 1 11 . 1 1 7 7 SER CB C 7 63.645 63.645 63.533 0.112 19013 5848 1 11 . 1 1 8 8 GLU N N 8 122.758 122.758 121.814 0.944 19013 5849 1 11 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.787 -0.415 19013 5850 1 11 . 1 1 8 8 GLU C C 8 176.929 176.929 177.246 -0.317 19013 5851 1 11 . 1 1 8 8 GLU CA C 8 56.902 56.902 55.031 1.871 19013 5852 1 11 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.362 0.475 19013 5853 1 11 . 1 1 9 9 THR N N 9 113.221 113.221 116.186 -2.965 19013 5854 1 11 . 1 1 9 9 THR HA H 9 4.295 4.295 4.063 0.232 19013 5855 1 11 . 1 1 9 9 THR C C 9 175.371 175.371 176.439 -1.068 19013 5856 1 11 . 1 1 9 9 THR CA C 9 62.279 62.279 64.820 -2.541 19013 5857 1 11 . 1 1 9 9 THR CB C 9 69.828 69.828 69.095 0.733 19013 5858 1 11 . 1 1 10 10 GLY N N 10 110.774 110.774 110.343 0.431 19013 5859 1 11 . 1 1 10 10 GLY C C 10 173.283 173.283 175.738 -2.455 19013 5860 1 11 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.681 -0.950 19013 5861 1 11 . 1 1 11 11 ASN N N 11 116.215 116.215 121.722 -5.507 19013 5862 1 11 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.045 0.222 19013 5863 1 11 . 1 1 11 11 ASN C C 11 174.352 174.352 174.901 -0.549 19013 5864 1 11 . 1 1 11 11 ASN CA C 11 52.467 52.467 55.404 -2.937 19013 5865 1 11 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.798 0.685 19013 5866 1 11 . 1 1 12 12 ALA N N 12 121.979 121.979 119.698 2.281 19013 5867 1 11 . 1 1 12 12 ALA HA H 12 5.985 5.985 4.857 1.128 19013 5868 1 11 . 1 1 12 12 ALA C C 12 177.325 177.325 176.705 0.620 19013 5869 1 11 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.489 -0.952 19013 5870 1 11 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.388 1.442 19013 5871 1 11 . 1 1 13 13 VAL N N 13 116.191 116.191 115.906 0.285 19013 5872 1 11 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.314 0.012 19013 5873 1 11 . 1 1 13 13 VAL C C 13 175.275 175.275 174.588 0.687 19013 5874 1 11 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.263 -0.501 19013 5875 1 11 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.166 -0.005 19013 5876 1 11 . 1 1 14 14 VAL N N 14 119.334 119.334 122.293 -2.959 19013 5877 1 11 . 1 1 14 14 VAL HA H 14 5.238 5.238 5.024 0.214 19013 5878 1 11 . 1 1 14 14 VAL C C 14 174.716 174.716 175.474 -0.758 19013 5879 1 11 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.455 -0.159 19013 5880 1 11 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.964 1.417 19013 5881 1 11 . 1 1 15 15 VAL N N 15 127.812 127.812 128.064 -0.252 19013 5882 1 11 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.193 0.115 19013 5883 1 11 . 1 1 15 15 VAL C C 15 176.256 176.256 175.352 0.904 19013 5884 1 11 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.772 -0.617 19013 5885 1 11 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.021 0.280 19013 5886 1 11 . 1 1 16 16 PHE N N 16 122.243 122.243 121.526 0.717 19013 5887 1 11 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.872 0.047 19013 5888 1 11 . 1 1 16 16 PHE C C 16 174.623 174.623 175.185 -0.562 19013 5889 1 11 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.376 0.759 19013 5890 1 11 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.115 -0.022 19013 5891 1 11 . 1 1 17 17 GLY N N 17 106.894 106.894 107.037 -0.143 19013 5892 1 11 . 1 1 17 17 GLY C C 17 174.023 174.023 173.590 0.433 19013 5893 1 11 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.425 -0.465 19013 5894 1 11 . 1 1 18 18 TYR N N 18 115.205 115.205 116.761 -1.556 19013 5895 1 11 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.022 -0.156 19013 5896 1 11 . 1 1 18 18 TYR C C 18 173.847 173.847 174.037 -0.190 19013 5897 1 11 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.066 -1.901 19013 5898 1 11 . 1 1 18 18 TYR CB C 18 39.831 39.831 40.064 -0.233 19013 5899 1 11 . 1 1 19 19 ARG N N 19 116.814 116.814 121.066 -4.252 19013 5900 1 11 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.449 0.006 19013 5901 1 11 . 1 1 19 19 ARG C C 19 177.198 177.198 175.934 1.264 19013 5902 1 11 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.574 0.354 19013 5903 1 11 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.904 -2.183 19013 5904 1 11 . 1 1 20 20 GLU N N 20 125.261 125.261 126.144 -0.883 19013 5905 1 11 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.316 -0.259 19013 5906 1 11 . 1 1 20 20 GLU C C 20 180.643 180.643 175.501 5.142 19013 5907 1 11 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.511 2.018 19013 5908 1 11 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.182 1.681 19013 5909 1 11 . 1 1 21 21 ALA N N 21 119.760 119.760 124.626 -4.866 19013 5910 1 11 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.447 -0.093 19013 5911 1 11 . 1 1 21 21 ALA C C 21 179.291 179.291 177.672 1.619 19013 5912 1 11 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.041 1.639 19013 5913 1 11 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.910 -1.500 19013 5914 1 11 . 1 1 22 22 ILE N N 22 109.751 109.751 117.378 -7.627 19013 5915 1 11 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.597 0.578 19013 5916 1 11 . 1 1 22 22 ILE C C 22 175.636 175.636 176.597 -0.961 19013 5917 1 11 . 1 1 22 22 ILE CA C 22 60.231 60.231 59.723 0.508 19013 5918 1 11 . 1 1 22 22 ILE CB C 22 38.445 38.445 35.728 2.717 19013 5919 1 11 . 1 1 23 23 THR N N 23 118.763 118.763 119.157 -0.394 19013 5920 1 11 . 1 1 23 23 THR HA H 23 3.375 3.375 3.868 -0.493 19013 5921 1 11 . 1 1 23 23 THR C C 23 175.159 175.159 176.146 -0.987 19013 5922 1 11 . 1 1 23 23 THR CA C 23 68.267 68.267 67.605 0.662 19013 5923 1 11 . 1 1 23 23 THR CB C 23 69.564 69.564 68.721 0.843 19013 5924 1 11 . 1 1 24 24 LYS N N 24 118.723 118.723 118.998 -0.275 19013 5925 1 11 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.099 -0.436 19013 5926 1 11 . 1 1 24 24 LYS C C 24 178.421 178.421 178.826 -0.405 19013 5927 1 11 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.552 2.502 19013 5928 1 11 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.485 0.296 19013 5929 1 11 . 1 1 25 25 GLN N N 25 118.276 118.276 120.074 -1.798 19013 5930 1 11 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.179 -0.136 19013 5931 1 11 . 1 1 25 25 GLN C C 25 179.248 179.248 178.757 0.491 19013 5932 1 11 . 1 1 25 25 GLN CA C 25 59.680 59.680 59.163 0.517 19013 5933 1 11 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.631 -0.386 19013 5934 1 11 . 1 1 26 26 ILE N N 26 122.000 122.000 120.033 1.967 19013 5935 1 11 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.783 -0.014 19013 5936 1 11 . 1 1 26 26 ILE C C 26 177.797 177.797 176.542 1.255 19013 5937 1 11 . 1 1 26 26 ILE CA C 26 62.178 62.178 61.680 0.498 19013 5938 1 11 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.998 -2.408 19013 5939 1 11 . 1 1 27 27 LEU N N 27 119.685 119.685 122.834 -3.149 19013 5940 1 11 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.974 -0.056 19013 5941 1 11 . 1 1 27 27 LEU C C 27 178.173 178.173 177.954 0.219 19013 5942 1 11 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.117 0.190 19013 5943 1 11 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.809 -0.722 19013 5944 1 11 . 1 1 28 28 ALA N N 28 118.927 118.927 118.269 0.658 19013 5945 1 11 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.096 -0.234 19013 5946 1 11 . 1 1 28 28 ALA C C 28 179.693 179.693 178.171 1.522 19013 5947 1 11 . 1 1 28 28 ALA CA C 28 54.902 54.902 53.992 0.910 19013 5948 1 11 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.119 -0.003 19013 5949 1 11 . 1 1 29 29 TYR N N 29 119.687 119.687 118.179 1.508 19013 5950 1 11 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.253 -0.331 19013 5951 1 11 . 1 1 29 29 TYR C C 29 178.234 178.234 176.238 1.996 19013 5952 1 11 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.119 0.017 19013 5953 1 11 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.703 -1.327 19013 5954 1 11 . 1 1 30 30 PHE N N 30 115.353 115.353 114.080 1.273 19013 5955 1 11 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.535 -0.606 19013 5956 1 11 . 1 1 30 30 PHE C C 30 180.031 180.031 177.588 2.443 19013 5957 1 11 . 1 1 30 30 PHE CA C 30 61.815 61.815 60.094 1.721 19013 5958 1 11 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.740 -1.789 19013 5959 1 11 . 1 1 31 31 ALA N N 31 125.929 125.929 121.806 4.123 19013 5960 1 11 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.713 -0.251 19013 5961 1 11 . 1 1 31 31 ALA C C 31 178.235 178.235 179.665 -1.430 19013 5962 1 11 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.128 -0.334 19013 5963 1 11 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.203 -0.721 19013 5964 1 11 . 1 1 32 32 GLN N N 32 113.541 113.541 118.414 -4.873 19013 5965 1 11 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.953 0.003 19013 5966 1 11 . 1 1 32 32 GLN C C 32 177.465 177.465 176.591 0.874 19013 5967 1 11 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.337 -1.377 19013 5968 1 11 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.529 0.556 19013 5969 1 11 . 1 1 33 33 PHE N N 33 114.638 114.638 115.951 -1.313 19013 5970 1 11 . 1 1 33 33 PHE HA H 33 4.650 4.650 5.104 -0.454 19013 5971 1 11 . 1 1 33 33 PHE C C 33 175.848 175.848 174.351 1.497 19013 5972 1 11 . 1 1 33 33 PHE CA C 33 57.066 57.066 57.237 -0.171 19013 5973 1 11 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.399 -3.469 19013 5974 1 11 . 1 1 34 34 GLY N N 34 106.452 106.452 105.925 0.527 19013 5975 1 11 . 1 1 34 34 GLY C C 34 170.428 170.428 172.302 -1.874 19013 5976 1 11 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.218 -0.654 19013 5977 1 11 . 1 1 35 35 GLU N N 35 118.228 118.228 125.416 -7.188 19013 5978 1 11 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.178 -0.012 19013 5979 1 11 . 1 1 35 35 GLU C C 35 175.939 175.939 175.800 0.139 19013 5980 1 11 . 1 1 35 35 GLU CA C 35 57.385 57.385 57.479 -0.094 19013 5981 1 11 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.149 -0.034 19013 5982 1 11 . 1 1 36 36 ILE HA H 36 4.564 4.564 3.990 0.574 19013 5983 1 11 . 1 1 36 36 ILE C C 36 176.530 176.530 175.853 0.677 19013 5984 1 11 . 1 1 36 36 ILE CA C 36 59.847 59.847 62.108 -2.261 19013 5985 1 11 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.363 3.231 19013 5986 1 11 . 1 1 37 37 LEU N N 37 125.464 125.464 117.505 7.959 19013 5987 1 11 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.381 -0.292 19013 5988 1 11 . 1 1 37 37 LEU C C 37 178.470 178.470 177.468 1.002 19013 5989 1 11 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.416 3.698 19013 5990 1 11 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.636 -1.460 19013 5991 1 11 . 1 1 38 38 GLU N N 38 120.405 120.405 118.705 1.700 19013 5992 1 11 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.070 0.109 19013 5993 1 11 . 1 1 38 38 GLU C C 38 175.620 175.620 176.465 -0.845 19013 5994 1 11 . 1 1 38 38 GLU CA C 38 58.630 58.630 57.994 0.636 19013 5995 1 11 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.372 -0.820 19013 5996 1 11 . 1 1 39 39 ASP N N 39 117.746 117.746 118.757 -1.011 19013 5997 1 11 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.621 -0.119 19013 5998 1 11 . 1 1 39 39 ASP C C 39 176.811 176.811 175.199 1.612 19013 5999 1 11 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.620 -0.750 19013 6000 1 11 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.553 -1.172 19013 6001 1 11 . 1 1 40 40 LEU N N 40 127.180 127.180 125.262 1.918 19013 6002 1 11 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.502 -0.192 19013 6003 1 11 . 1 1 40 40 LEU C C 40 177.950 177.950 175.030 2.920 19013 6004 1 11 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.184 -0.080 19013 6005 1 11 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.160 -1.454 19013 6006 1 11 . 1 1 41 41 GLU N N 41 120.599 120.599 124.767 -4.168 19013 6007 1 11 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.528 -0.598 19013 6008 1 11 . 1 1 41 41 GLU C C 41 178.353 178.353 175.428 2.925 19013 6009 1 11 . 1 1 41 41 GLU CA C 41 59.238 59.238 56.569 2.669 19013 6010 1 11 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.971 -1.581 19013 6011 1 11 . 1 1 42 42 SER N N 42 114.356 114.356 115.920 -1.564 19013 6012 1 11 . 1 1 42 42 SER HA H 42 4.209 4.209 4.659 -0.450 19013 6013 1 11 . 1 1 42 42 SER C C 42 175.221 175.221 174.465 0.756 19013 6014 1 11 . 1 1 42 42 SER CA C 42 60.331 60.331 57.664 2.667 19013 6015 1 11 . 1 1 42 42 SER CB C 42 62.849 62.849 63.531 -0.682 19013 6016 1 11 . 1 1 43 43 GLU N N 43 119.711 119.711 126.258 -6.547 19013 6017 1 11 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.360 -0.074 19013 6018 1 11 . 1 1 43 43 GLU C C 43 176.893 176.893 176.540 0.353 19013 6019 1 11 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.925 0.668 19013 6020 1 11 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.037 1.404 19013 6021 1 11 . 1 1 44 44 LEU N N 44 117.788 117.788 121.567 -3.779 19013 6022 1 11 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.612 -0.258 19013 6023 1 11 . 1 1 44 44 LEU C C 44 177.944 177.944 178.388 -0.444 19013 6024 1 11 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.162 -0.221 19013 6025 1 11 . 1 1 44 44 LEU CB C 44 42.375 42.375 42.745 -0.370 19013 6026 1 11 . 1 1 45 45 GLY N N 45 108.349 108.349 106.904 1.445 19013 6027 1 11 . 1 1 45 45 GLY C C 45 173.791 173.791 173.418 0.373 19013 6028 1 11 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.962 0.675 19013 6029 1 11 . 1 1 46 46 ASP N N 46 119.869 119.869 115.829 4.040 19013 6030 1 11 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.682 0.007 19013 6031 1 11 . 1 1 46 46 ASP C C 46 176.628 176.628 175.369 1.259 19013 6032 1 11 . 1 1 46 46 ASP CA C 46 54.021 54.021 53.275 0.746 19013 6033 1 11 . 1 1 46 46 ASP CB C 46 41.096 41.096 42.156 -1.060 19013 6034 1 11 . 1 1 47 47 THR N N 47 113.962 113.962 110.582 3.380 19013 6035 1 11 . 1 1 47 47 THR HA H 47 4.258 4.258 3.934 0.324 19013 6036 1 11 . 1 1 47 47 THR C C 47 175.277 175.277 175.128 0.149 19013 6037 1 11 . 1 1 47 47 THR CA C 47 62.715 62.715 63.444 -0.729 19013 6038 1 11 . 1 1 47 47 THR CB C 47 69.504 69.504 67.916 1.588 19013 6039 1 11 . 1 1 48 48 GLU N N 48 121.748 121.748 120.094 1.654 19013 6040 1 11 . 1 1 48 48 GLU HA H 48 4.235 4.235 3.946 0.289 19013 6041 1 11 . 1 1 48 48 GLU C C 48 177.221 177.221 176.615 0.606 19013 6042 1 11 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.777 -1.272 19013 6043 1 11 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.608 0.111 19013 6044 1 11 . 1 1 49 49 THR N N 49 113.781 113.781 109.073 4.708 19013 6045 1 11 . 1 1 49 49 THR HA H 49 4.160 4.160 3.867 0.293 19013 6046 1 11 . 1 1 49 49 THR C C 49 174.979 174.979 174.985 -0.006 19013 6047 1 11 . 1 1 49 49 THR CA C 49 62.989 62.989 63.933 -0.944 19013 6048 1 11 . 1 1 49 49 THR CB C 49 69.198 69.198 68.641 0.557 19013 6049 1 11 . 1 1 50 50 MET N N 50 121.133 121.133 120.704 0.429 19013 6050 1 11 . 1 1 50 50 MET HA H 50 4.295 4.295 4.544 -0.249 19013 6051 1 11 . 1 1 50 50 MET C C 50 175.846 175.846 174.836 1.010 19013 6052 1 11 . 1 1 50 50 MET CA C 50 55.981 55.981 54.821 1.160 19013 6053 1 11 . 1 1 50 50 MET CB C 50 32.549 32.549 32.505 0.044 19013 6054 1 11 . 1 1 51 51 ARG N N 51 120.641 120.641 122.317 -1.676 19013 6055 1 11 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.859 -0.521 19013 6056 1 11 . 1 1 51 51 ARG C C 51 176.213 176.213 175.287 0.926 19013 6057 1 11 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.736 0.143 19013 6058 1 11 . 1 1 51 51 ARG CB C 51 30.606 30.606 33.475 -2.869 19013 6059 1 11 . 1 1 52 52 THR N N 52 116.663 116.663 113.259 3.404 19013 6060 1 11 . 1 1 52 52 THR HA H 52 4.564 4.564 4.970 -0.406 19013 6061 1 11 . 1 1 52 52 THR C C 52 172.814 172.814 172.151 0.663 19013 6062 1 11 . 1 1 52 52 THR CA C 52 59.828 59.828 59.171 0.657 19013 6063 1 11 . 1 1 52 52 THR CB C 52 69.498 69.498 69.901 -0.403 19013 6064 1 11 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.441 -0.101 19013 6065 1 11 . 1 1 53 53 PRO C C 53 177.518 177.518 177.763 -0.245 19013 6066 1 11 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.444 0.546 19013 6067 1 11 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.550 0.367 19013 6068 1 11 . 1 1 54 54 GLY N N 54 108.804 108.804 114.011 -5.207 19013 6069 1 11 . 1 1 54 54 GLY C C 54 174.121 174.121 174.251 -0.130 19013 6070 1 11 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.034 0.335 19013 6071 1 11 . 1 1 55 55 TYR N N 55 119.872 119.872 116.880 2.992 19013 6072 1 11 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.897 -0.537 19013 6073 1 11 . 1 1 55 55 TYR C C 55 175.550 175.550 174.148 1.402 19013 6074 1 11 . 1 1 55 55 TYR CA C 55 58.508 58.508 55.862 2.646 19013 6075 1 11 . 1 1 55 55 TYR CB C 55 38.907 38.907 38.850 0.057 19013 6076 1 11 . 1 1 56 56 PHE N N 56 121.248 121.248 125.802 -4.554 19013 6077 1 11 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.163 0.266 19013 6078 1 11 . 1 1 56 56 PHE C C 56 175.354 175.354 174.085 1.269 19013 6079 1 11 . 1 1 56 56 PHE CA C 56 58.138 58.138 58.282 -0.144 19013 6080 1 11 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.112 -0.599 19013 6081 1 11 . 1 1 57 57 PHE N N 57 121.226 121.226 117.278 3.948 19013 6082 1 11 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.205 0.268 19013 6083 1 11 . 1 1 57 57 PHE C C 57 175.182 175.182 175.401 -0.219 19013 6084 1 11 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.270 -0.444 19013 6085 1 11 . 1 1 57 57 PHE CB C 57 39.529 39.529 36.347 3.182 19013 6086 1 11 . 1 1 58 58 GLN N N 58 121.160 121.160 114.060 7.100 19013 6087 1 11 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.330 0.902 19013 6088 1 11 . 1 1 58 58 GLN C C 58 175.287 175.287 175.760 -0.473 19013 6089 1 11 . 1 1 58 58 GLN CA C 58 55.406 55.406 57.511 -2.104 19013 6090 1 11 . 1 1 58 58 GLN CB C 58 29.477 29.477 27.218 2.259 19013 6091 1 11 . 1 1 59 59 GLN N N 59 120.923 120.923 117.555 3.368 19013 6092 1 11 . 1 1 59 59 GLN HA H 59 4.286 4.286 3.990 0.296 19013 6093 1 11 . 1 1 59 59 GLN C C 59 175.318 175.318 174.594 0.724 19013 6094 1 11 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.963 -0.666 19013 6095 1 11 . 1 1 59 59 GLN CB C 59 29.419 29.419 27.603 1.816 19013 6096 1 11 . 1 1 60 60 ALA N N 60 126.737 126.737 121.312 5.425 19013 6097 1 11 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.409 0.127 19013 6098 1 11 . 1 1 60 60 ALA C C 60 175.924 175.924 176.462 -0.538 19013 6099 1 11 . 1 1 60 60 ALA CA C 60 50.682 50.682 51.199 -0.517 19013 6100 1 11 . 1 1 60 60 ALA CB C 60 18.173 18.173 19.152 -0.979 19013 6101 1 11 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.297 0.107 19013 6102 1 11 . 1 1 61 61 PRO C C 61 176.902 176.902 176.448 0.454 19013 6103 1 11 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.681 -1.133 19013 6104 1 11 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.031 -0.050 19013 6105 1 11 . 1 1 62 62 ASN N N 62 116.490 116.490 113.371 3.119 19013 6106 1 11 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.795 -0.195 19013 6107 1 11 . 1 1 62 62 ASN C C 62 174.942 174.942 174.735 0.207 19013 6108 1 11 . 1 1 62 62 ASN CA C 62 53.299 53.299 51.634 1.665 19013 6109 1 11 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.313 0.708 19013 6110 1 11 . 1 1 63 63 ARG N N 63 120.117 120.117 121.017 -0.900 19013 6111 1 11 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.230 0.131 19013 6112 1 11 . 1 1 63 63 ARG C C 63 175.853 175.853 176.636 -0.783 19013 6113 1 11 . 1 1 63 63 ARG CA C 63 55.555 55.555 56.403 -0.848 19013 6114 1 11 . 1 1 63 63 ARG CB C 63 31.085 31.085 30.204 0.881 19013 6115 1 11 . 1 1 64 64 ARG N N 64 123.061 123.061 120.938 2.123 19013 6116 1 11 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.974 -0.674 19013 6117 1 11 . 1 1 64 64 ARG C C 64 175.995 175.995 175.366 0.629 19013 6118 1 11 . 1 1 64 64 ARG CA C 64 56.003 56.003 55.384 0.619 19013 6119 1 11 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.572 -0.092 19013 6120 1 11 . 1 1 65 65 ARG N N 65 123.698 123.698 115.969 7.729 19013 6121 1 11 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.723 -0.147 19013 6122 1 11 . 1 1 65 65 ARG C C 65 176.085 176.085 174.204 1.881 19013 6123 1 11 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.787 0.661 19013 6124 1 11 . 1 1 65 65 ARG CB C 65 31.155 31.155 33.034 -1.879 19013 6125 1 11 . 1 1 66 66 ILE N N 66 120.928 120.928 116.500 4.428 19013 6126 1 11 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.391 0.044 19013 6127 1 11 . 1 1 66 66 ILE C C 66 175.488 175.488 175.460 0.028 19013 6128 1 11 . 1 1 66 66 ILE CA C 66 60.214 60.214 59.278 0.936 19013 6129 1 11 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.538 0.616 19013 6130 1 11 . 1 1 67 67 SER N N 67 119.534 119.534 115.846 3.688 19013 6131 1 11 . 1 1 67 67 SER HA H 67 4.431 4.431 4.425 0.006 19013 6132 1 11 . 1 1 67 67 SER C C 67 174.034 174.034 174.685 -0.651 19013 6133 1 11 . 1 1 67 67 SER CA C 67 58.599 58.599 61.045 -2.446 19013 6134 1 11 . 1 1 67 67 SER CB C 67 63.499 63.499 63.659 -0.160 19013 6135 1 11 . 1 1 68 68 ARG N N 68 124.936 124.936 118.090 6.846 19013 6136 1 11 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.629 -0.054 19013 6137 1 11 . 1 1 68 68 ARG C C 68 175.967 175.967 174.105 1.862 19013 6138 1 11 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.110 1.344 19013 6139 1 11 . 1 1 68 68 ARG CB C 68 32.473 32.473 33.776 -1.303 19013 6140 1 11 . 1 1 69 69 GLU N N 69 136.462 136.462 121.635 14.827 19013 6141 1 11 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.311 0.194 19013 6142 1 11 . 1 1 69 69 GLU C C 69 174.852 174.852 175.078 -0.226 19013 6143 1 11 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.711 -0.517 19013 6144 1 11 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.476 -0.675 19013 6145 1 11 . 1 1 70 70 HIS N N 70 120.728 120.728 116.032 4.696 19013 6146 1 11 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.737 -1.001 19013 6147 1 11 . 1 1 70 70 HIS C C 70 171.455 171.455 172.858 -1.403 19013 6148 1 11 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.423 0.151 19013 6149 1 11 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.010 -0.894 19013 6150 1 11 . 1 1 71 71 GLY N N 71 108.698 108.698 106.513 2.185 19013 6151 1 11 . 1 1 71 71 GLY C C 71 174.611 174.611 172.524 2.087 19013 6152 1 11 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.224 -0.160 19013 6153 1 11 . 1 1 72 72 ARG N N 72 123.350 123.350 120.362 2.988 19013 6154 1 11 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.167 0.028 19013 6155 1 11 . 1 1 72 72 ARG C C 72 178.495 178.495 176.345 2.150 19013 6156 1 11 . 1 1 72 72 ARG CA C 72 60.196 60.196 56.657 3.539 19013 6157 1 11 . 1 1 72 72 ARG CB C 72 30.822 30.822 29.314 1.508 19013 6158 1 11 . 1 1 73 73 THR N N 73 103.467 103.467 111.057 -7.590 19013 6159 1 11 . 1 1 73 73 THR HA H 73 4.196 4.196 3.447 0.749 19013 6160 1 11 . 1 1 73 73 THR C C 73 171.300 171.300 173.092 -1.792 19013 6161 1 11 . 1 1 73 73 THR CA C 73 59.336 59.336 62.974 -3.638 19013 6162 1 11 . 1 1 73 73 THR CB C 73 69.837 69.837 67.345 2.492 19013 6163 1 11 . 1 1 74 74 TRP N N 74 112.582 112.582 118.058 -5.476 19013 6164 1 11 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.897 -0.190 19013 6165 1 11 . 1 1 74 74 TRP C C 74 176.667 176.667 174.222 2.445 19013 6166 1 11 . 1 1 74 74 TRP CA C 74 54.882 54.882 55.217 -0.334 19013 6167 1 11 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.671 0.189 19013 6168 1 11 . 1 1 75 75 THR N N 75 114.629 114.629 118.151 -3.522 19013 6169 1 11 . 1 1 75 75 THR HA H 75 4.594 4.594 4.748 -0.154 19013 6170 1 11 . 1 1 75 75 THR C C 75 170.237 170.237 173.035 -2.798 19013 6171 1 11 . 1 1 75 75 THR CA C 75 61.354 61.354 60.791 0.563 19013 6172 1 11 . 1 1 75 75 THR CB C 75 69.887 69.887 71.763 -1.876 19013 6173 1 11 . 1 1 76 76 LYS N N 76 130.596 130.596 127.786 2.810 19013 6174 1 11 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.640 0.082 19013 6175 1 11 . 1 1 76 76 LYS C C 76 177.934 177.934 175.840 2.094 19013 6176 1 11 . 1 1 76 76 LYS CA C 76 56.040 56.040 54.835 1.205 19013 6177 1 11 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.684 1.486 19013 6178 1 11 . 1 1 77 77 LEU N N 77 128.006 128.006 121.785 6.221 19013 6179 1 11 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.882 -0.595 19013 6180 1 11 . 1 1 77 77 LEU C C 77 174.557 174.557 175.005 -0.448 19013 6181 1 11 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.466 1.832 19013 6182 1 11 . 1 1 77 77 LEU CB C 77 46.100 46.100 45.436 0.664 19013 6183 1 11 . 1 1 78 78 THR N N 78 123.666 123.666 116.628 7.038 19013 6184 1 11 . 1 1 78 78 THR HA H 78 4.435 4.435 4.687 -0.252 19013 6185 1 11 . 1 1 78 78 THR C C 78 174.067 174.067 174.180 -0.113 19013 6186 1 11 . 1 1 78 78 THR CA C 78 62.500 62.500 61.593 0.907 19013 6187 1 11 . 1 1 78 78 THR CB C 78 67.902 67.902 70.255 -2.353 19013 6188 1 11 . 1 1 79 79 TYR N N 79 125.290 125.290 125.129 0.161 19013 6189 1 11 . 1 1 79 79 TYR HA H 79 4.952 4.952 5.008 -0.056 19013 6190 1 11 . 1 1 79 79 TYR C C 79 176.523 176.523 177.549 -1.026 19013 6191 1 11 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.738 -0.359 19013 6192 1 11 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.971 0.848 19013 6193 1 11 . 1 1 80 80 ALA N N 80 121.971 121.971 121.289 0.682 19013 6194 1 11 . 1 1 80 80 ALA HA H 80 4.060 4.060 4.010 0.050 19013 6195 1 11 . 1 1 80 80 ALA C C 80 177.255 177.255 176.723 0.532 19013 6196 1 11 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.853 0.077 19013 6197 1 11 . 1 1 80 80 ALA CB C 80 19.186 19.186 16.971 2.215 19013 6198 1 11 . 1 1 81 81 ASN N N 81 112.786 112.786 119.555 -6.769 19013 6199 1 11 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.783 0.314 19013 6200 1 11 . 1 1 81 81 ASN C C 81 175.438 175.438 176.770 -1.332 19013 6201 1 11 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.707 -1.219 19013 6202 1 11 . 1 1 81 81 ASN CB C 81 41.430 41.430 38.952 2.478 19013 6203 1 11 . 1 1 82 82 HIS N N 82 123.560 123.560 124.271 -0.711 19013 6204 1 11 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.405 -0.118 19013 6205 1 11 . 1 1 82 82 HIS C C 82 176.494 176.494 176.696 -0.202 19013 6206 1 11 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.213 -0.122 19013 6207 1 11 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.363 -0.801 19013 6208 1 11 . 1 1 83 83 SER N N 83 114.623 114.623 116.009 -1.386 19013 6209 1 11 . 1 1 83 83 SER HA H 83 4.095 4.095 3.921 0.174 19013 6210 1 11 . 1 1 83 83 SER C C 83 177.619 177.619 176.894 0.725 19013 6211 1 11 . 1 1 83 83 SER CA C 83 61.637 61.637 61.182 0.455 19013 6212 1 11 . 1 1 83 83 SER CB C 83 61.644 61.644 62.535 -0.891 19013 6213 1 11 . 1 1 84 84 SER N N 84 120.863 120.863 117.822 3.041 19013 6214 1 11 . 1 1 84 84 SER HA H 84 3.935 3.935 3.943 -0.008 19013 6215 1 11 . 1 1 84 84 SER C C 84 173.466 173.466 175.887 -2.421 19013 6216 1 11 . 1 1 84 84 SER CA C 84 62.250 62.250 60.561 1.689 19013 6217 1 11 . 1 1 84 84 SER CB C 84 62.700 62.700 62.782 -0.082 19013 6218 1 11 . 1 1 85 85 TYR N N 85 122.263 122.263 123.267 -1.004 19013 6219 1 11 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.918 -0.149 19013 6220 1 11 . 1 1 85 85 TYR C C 85 175.010 175.010 177.934 -2.924 19013 6221 1 11 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.322 -0.649 19013 6222 1 11 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.517 -0.892 19013 6223 1 11 . 1 1 86 86 LEU N N 86 117.366 117.366 120.161 -2.795 19013 6224 1 11 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.824 -0.287 19013 6225 1 11 . 1 1 86 86 LEU C C 86 179.942 179.942 178.829 1.113 19013 6226 1 11 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.331 -0.062 19013 6227 1 11 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.785 -0.091 19013 6228 1 11 . 1 1 87 87 ARG N N 87 118.578 118.578 119.546 -0.968 19013 6229 1 11 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.972 -0.124 19013 6230 1 11 . 1 1 87 87 ARG C C 87 178.784 178.784 178.014 0.770 19013 6231 1 11 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.884 -1.443 19013 6232 1 11 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.973 -1.032 19013 6233 1 11 . 1 1 88 88 ALA N N 88 123.868 123.868 121.515 2.353 19013 6234 1 11 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.456 -0.913 19013 6235 1 11 . 1 1 88 88 ALA C C 88 179.517 179.517 178.719 0.798 19013 6236 1 11 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.713 1.701 19013 6237 1 11 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.542 -0.400 19013 6238 1 11 . 1 1 89 89 LEU N N 89 114.573 114.573 117.777 -3.204 19013 6239 1 11 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.222 -0.298 19013 6240 1 11 . 1 1 89 89 LEU C C 89 180.088 180.088 176.069 4.019 19013 6241 1 11 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.963 2.454 19013 6242 1 11 . 1 1 89 89 LEU CB C 89 41.886 41.886 40.965 0.921 19013 6243 1 11 . 1 1 90 90 ARG N N 90 116.735 116.735 120.060 -3.325 19013 6244 1 11 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.209 -0.077 19013 6245 1 11 . 1 1 90 90 ARG C C 90 177.429 177.429 176.064 1.365 19013 6246 1 11 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.890 0.909 19013 6247 1 11 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.145 -0.311 19013 6248 1 11 . 1 1 91 91 GLU N N 91 115.787 115.787 121.575 -5.788 19013 6249 1 11 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.403 -0.256 19013 6250 1 11 . 1 1 91 91 GLU C C 91 176.303 176.303 176.079 0.224 19013 6251 1 11 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.625 -0.289 19013 6252 1 11 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.195 -0.490 19013 6253 1 11 . 1 1 92 92 HIS N N 92 118.997 118.997 120.633 -1.636 19013 6254 1 11 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.539 -0.268 19013 6255 1 11 . 1 1 92 92 HIS C C 92 176.823 176.823 175.802 1.021 19013 6256 1 11 . 1 1 92 92 HIS CA C 92 59.453 59.453 57.813 1.640 19013 6257 1 11 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.163 0.649 19013 6258 1 11 . 1 1 93 93 GLY N N 93 116.944 116.944 106.836 10.108 19013 6259 1 11 . 1 1 93 93 GLY C C 93 174.512 174.512 173.519 0.993 19013 6260 1 11 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.071 -0.095 19013 6261 1 11 . 1 1 94 94 THR N N 94 117.838 117.838 119.092 -1.254 19013 6262 1 11 . 1 1 94 94 THR HA H 94 4.059 4.059 4.502 -0.443 19013 6263 1 11 . 1 1 94 94 THR C C 94 172.656 172.656 173.316 -0.660 19013 6264 1 11 . 1 1 94 94 THR CA C 94 63.330 63.330 62.914 0.416 19013 6265 1 11 . 1 1 94 94 THR CB C 94 69.936 69.936 68.463 1.473 19013 6266 1 11 . 1 1 95 95 ILE N N 95 124.155 124.155 127.046 -2.891 19013 6267 1 11 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.439 -0.051 19013 6268 1 11 . 1 1 95 95 ILE C C 95 175.534 175.534 174.794 0.740 19013 6269 1 11 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.686 -0.909 19013 6270 1 11 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.926 -3.937 19013 6271 1 11 . 1 1 96 96 TYR N N 96 130.370 130.370 127.759 2.611 19013 6272 1 11 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.787 -0.224 19013 6273 1 11 . 1 1 96 96 TYR C C 96 174.539 174.539 175.789 -1.250 19013 6274 1 11 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.234 -0.778 19013 6275 1 11 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.276 -0.549 19013 6276 1 11 . 1 1 97 97 CYS N N 97 123.936 123.936 125.363 -1.427 19013 6277 1 11 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.020 -0.362 19013 6278 1 11 . 1 1 97 97 CYS C C 97 175.798 175.798 175.388 0.410 19013 6279 1 11 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.464 1.357 19013 6280 1 11 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.740 -1.261 19013 6281 1 11 . 1 1 98 98 GLY N N 98 103.268 103.268 104.820 -1.552 19013 6282 1 11 . 1 1 98 98 GLY C C 98 173.270 173.270 173.186 0.084 19013 6283 1 11 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.845 0.467 19013 6284 1 11 . 1 1 99 99 ALA N N 99 123.511 123.511 122.866 0.645 19013 6285 1 11 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.541 0.154 19013 6286 1 11 . 1 1 99 99 ALA C C 99 175.215 175.215 175.337 -0.122 19013 6287 1 11 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.980 -0.202 19013 6288 1 11 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.225 0.530 19013 6289 1 11 . 1 1 100 100 ALA N N 100 124.957 124.957 124.261 0.696 19013 6290 1 11 . 1 1 100 100 ALA HA H 100 4.633 4.633 4.733 -0.100 19013 6291 1 11 . 1 1 100 100 ALA C C 100 177.477 177.477 177.937 -0.460 19013 6292 1 11 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.862 -0.339 19013 6293 1 11 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.353 -1.184 19013 6294 1 11 . 1 1 101 101 ILE N N 101 121.598 121.598 118.443 3.155 19013 6295 1 11 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.533 -0.078 19013 6296 1 11 . 1 1 101 101 ILE C C 101 175.956 175.956 175.751 0.205 19013 6297 1 11 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.833 0.131 19013 6298 1 11 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.461 1.374 19013 6299 1 11 . 1 1 102 102 GLY N N 102 113.717 113.717 113.272 0.445 19013 6300 1 11 . 1 1 102 102 GLY C C 102 172.857 172.857 172.041 0.816 19013 6301 1 11 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.578 -1.134 19013 6302 1 11 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.572 -0.038 19013 6303 1 11 . 1 1 103 103 CYS C C 103 172.624 172.624 173.505 -0.881 19013 6304 1 11 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.890 1.813 19013 6305 1 11 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.001 -1.658 19013 6306 1 11 . 1 1 104 104 VAL N N 104 118.519 118.519 123.784 -5.265 19013 6307 1 11 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.794 0.111 19013 6308 1 11 . 1 1 104 104 VAL C C 104 172.705 172.705 173.111 -0.406 19013 6309 1 11 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.301 -0.888 19013 6310 1 11 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.451 -0.348 19013 6311 1 11 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.717 -0.102 19013 6312 1 11 . 1 1 105 105 PRO C C 105 176.557 176.557 176.250 0.307 19013 6313 1 11 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.191 0.363 19013 6314 1 11 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.181 0.485 19013 6315 1 11 . 1 1 106 106 TYR N N 106 121.923 121.923 125.279 -3.356 19013 6316 1 11 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.341 -0.511 19013 6317 1 11 . 1 1 106 106 TYR C C 106 174.643 174.643 174.421 0.222 19013 6318 1 11 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.394 0.624 19013 6319 1 11 . 1 1 106 106 TYR CB C 106 39.387 39.387 39.119 0.268 19013 6320 1 11 . 1 1 107 107 LYS N N 107 124.087 124.087 127.311 -3.224 19013 6321 1 11 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.903 -0.722 19013 6322 1 11 . 1 1 107 107 LYS C C 107 176.443 176.443 175.688 0.755 19013 6323 1 11 . 1 1 107 107 LYS CA C 107 54.777 54.777 53.987 0.790 19013 6324 1 11 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.698 1.227 19013 6325 1 11 . 1 1 108 108 HIS N N 108 124.171 124.171 125.579 -1.408 19013 6326 1 11 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.947 0.013 19013 6327 1 11 . 1 1 108 108 HIS C C 108 176.998 176.998 176.481 0.517 19013 6328 1 11 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.598 -0.999 19013 6329 1 11 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.811 -2.264 19013 6330 1 11 . 1 1 109 109 GLU N N 109 118.941 118.941 118.664 0.277 19013 6331 1 11 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.988 -0.075 19013 6332 1 11 . 1 1 109 109 GLU C C 109 177.738 177.738 178.101 -0.363 19013 6333 1 11 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.456 -0.119 19013 6334 1 11 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.144 -0.425 19013 6335 1 11 . 1 1 110 110 LEU N N 110 118.555 118.555 120.467 -1.912 19013 6336 1 11 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.945 0.056 19013 6337 1 11 . 1 1 110 110 LEU C C 110 177.872 177.872 178.451 -0.579 19013 6338 1 11 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.669 -1.296 19013 6339 1 11 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.719 0.236 19013 6340 1 11 . 1 1 111 111 ILE N N 111 117.129 117.129 118.658 -1.529 19013 6341 1 11 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.252 -0.282 19013 6342 1 11 . 1 1 111 111 ILE C C 111 178.773 178.773 178.075 0.698 19013 6343 1 11 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.839 -1.101 19013 6344 1 11 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.007 -0.589 19013 6345 1 11 . 1 1 112 112 SER N N 112 116.165 116.165 116.545 -0.380 19013 6346 1 11 . 1 1 112 112 SER HA H 112 4.000 4.000 4.053 -0.053 19013 6347 1 11 . 1 1 112 112 SER C C 112 176.313 176.313 176.828 -0.515 19013 6348 1 11 . 1 1 112 112 SER CA C 112 61.433 61.433 62.106 -0.673 19013 6349 1 11 . 1 1 112 112 SER CB C 112 62.188 62.188 62.749 -0.561 19013 6350 1 11 . 1 1 113 113 GLU N N 113 120.732 120.732 122.248 -1.516 19013 6351 1 11 . 1 1 113 113 GLU HA H 113 3.986 3.986 4.004 -0.018 19013 6352 1 11 . 1 1 113 113 GLU C C 113 178.799 178.799 178.811 -0.012 19013 6353 1 11 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.155 -0.634 19013 6354 1 11 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.543 -0.161 19013 6355 1 11 . 1 1 114 114 LEU N N 114 119.452 119.452 118.719 0.733 19013 6356 1 11 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.754 -0.031 19013 6357 1 11 . 1 1 114 114 LEU C C 114 179.184 179.184 179.021 0.163 19013 6358 1 11 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.297 -0.613 19013 6359 1 11 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.317 -1.330 19013 6360 1 11 . 1 1 115 115 SER N N 115 112.708 112.708 113.671 -0.963 19013 6361 1 11 . 1 1 115 115 SER HA H 115 4.615 4.615 4.360 0.255 19013 6362 1 11 . 1 1 115 115 SER C C 115 174.994 174.994 176.422 -1.428 19013 6363 1 11 . 1 1 115 115 SER CA C 115 59.706 59.706 60.912 -1.206 19013 6364 1 11 . 1 1 115 115 SER CB C 115 63.512 63.512 63.431 0.081 19013 6365 1 11 . 1 1 116 116 ARG N N 116 121.600 121.600 120.370 1.230 19013 6366 1 11 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.360 -0.119 19013 6367 1 11 . 1 1 116 116 ARG C C 116 176.893 176.893 176.328 0.565 19013 6368 1 11 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.864 0.158 19013 6369 1 11 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.916 -0.753 19013 6370 1 11 . 1 1 117 117 GLU N N 117 120.450 120.450 116.654 3.796 19013 6371 1 11 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.012 0.228 19013 6372 1 11 . 1 1 117 117 GLU C C 117 177.260 177.260 176.258 1.002 19013 6373 1 11 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.137 -0.095 19013 6374 1 11 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.680 1.083 19013 6375 1 11 . 1 1 118 118 GLY N N 118 108.905 108.905 105.130 3.775 19013 6376 1 11 . 1 1 118 118 GLY C C 118 174.225 174.225 174.829 -0.604 19013 6377 1 11 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.499 -0.116 19013 6378 1 11 . 1 1 119 119 HIS N N 119 117.625 117.625 119.950 -2.325 19013 6379 1 11 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.249 0.410 19013 6380 1 11 . 1 1 119 119 HIS C C 119 174.439 174.439 175.390 -0.951 19013 6381 1 11 . 1 1 119 119 HIS CA C 119 55.413 55.413 57.951 -2.538 19013 6382 1 11 . 1 1 119 119 HIS CB C 119 28.904 28.904 30.077 -1.173 19013 6383 1 11 . 1 1 120 120 HIS N N 120 119.015 119.015 118.242 0.773 19013 6384 1 11 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.706 -0.034 19013 6385 1 11 . 1 1 120 120 HIS C C 120 174.259 174.259 174.717 -0.458 19013 6386 1 11 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.673 -0.352 19013 6387 1 11 . 1 1 120 120 HIS CB C 120 29.098 29.098 28.421 0.677 19013 6388 1 11 . 1 1 121 121 HIS N N 121 119.872 119.872 123.774 -3.902 19013 6389 1 11 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.609 0.071 19013 6390 1 11 . 1 1 121 121 HIS C C 121 174.245 174.245 174.283 -0.038 19013 6391 1 11 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.852 -0.463 19013 6392 1 11 . 1 1 121 121 HIS CB C 121 29.259 29.259 33.021 -3.762 19013 6393 1 11 . 1 1 122 122 HIS N N 122 120.597 120.597 124.687 -4.090 19013 6394 1 11 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.675 0.012 19013 6395 1 11 . 1 1 122 122 HIS C C 122 174.101 174.101 174.316 -0.215 19013 6396 1 11 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.767 -1.381 19013 6397 1 11 . 1 1 122 122 HIS CB C 122 29.349 29.349 29.201 0.148 19013 6398 1 11 . 1 1 123 123 HIS N N 123 120.680 120.680 125.622 -4.942 19013 6399 1 11 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.580 0.076 19013 6400 1 11 . 1 1 123 123 HIS C C 123 173.591 173.591 172.991 0.600 19013 6401 1 11 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.359 -0.796 19013 6402 1 11 . 1 1 123 123 HIS CB C 123 29.456 29.456 31.528 -2.072 19013 6403 1 12 . 1 1 2 2 SER HA H 2 4.167 4.167 4.397 -0.230 19013 6404 1 12 . 1 1 2 2 SER C C 2 170.960 170.960 176.799 -5.839 19013 6405 1 12 . 1 1 2 2 SER CA C 2 57.139 57.139 59.914 -2.775 19013 6406 1 12 . 1 1 2 2 SER CB C 2 63.027 63.027 62.641 0.386 19013 6407 1 12 . 1 1 3 3 LEU N N 3 123.102 123.102 122.004 1.098 19013 6408 1 12 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.292 0.123 19013 6409 1 12 . 1 1 3 3 LEU C C 3 177.886 177.886 176.765 1.121 19013 6410 1 12 . 1 1 3 3 LEU CA C 3 55.625 55.625 56.216 -0.591 19013 6411 1 12 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.034 0.300 19013 6412 1 12 . 1 1 4 4 GLY N N 4 110.546 110.546 106.692 3.854 19013 6413 1 12 . 1 1 4 4 GLY C C 4 174.473 174.473 173.444 1.029 19013 6414 1 12 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.705 0.565 19013 6415 1 12 . 1 1 5 5 SER N N 5 115.839 115.839 117.766 -1.927 19013 6416 1 12 . 1 1 5 5 SER HA H 5 4.472 4.472 4.361 0.111 19013 6417 1 12 . 1 1 5 5 SER C C 5 175.085 175.085 175.214 -0.129 19013 6418 1 12 . 1 1 5 5 SER CA C 5 58.419 58.419 58.627 -0.208 19013 6419 1 12 . 1 1 5 5 SER CB C 5 63.648 63.648 63.792 -0.144 19013 6420 1 12 . 1 1 6 6 GLU N N 6 122.855 122.855 127.242 -4.387 19013 6421 1 12 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.650 -0.310 19013 6422 1 12 . 1 1 6 6 GLU C C 6 176.767 176.767 176.713 0.054 19013 6423 1 12 . 1 1 6 6 GLU CA C 6 57.020 57.020 55.907 1.113 19013 6424 1 12 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.791 0.994 19013 6425 1 12 . 1 1 7 7 SER N N 7 116.046 116.046 117.548 -1.502 19013 6426 1 12 . 1 1 7 7 SER HA H 7 4.444 4.444 4.443 0.001 19013 6427 1 12 . 1 1 7 7 SER C C 7 174.946 174.946 175.217 -0.271 19013 6428 1 12 . 1 1 7 7 SER CA C 7 58.587 58.587 59.447 -0.860 19013 6429 1 12 . 1 1 7 7 SER CB C 7 63.645 63.645 63.347 0.298 19013 6430 1 12 . 1 1 8 8 GLU N N 8 122.758 122.758 120.561 2.197 19013 6431 1 12 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.765 -0.393 19013 6432 1 12 . 1 1 8 8 GLU C C 8 176.929 176.929 177.245 -0.316 19013 6433 1 12 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.428 0.474 19013 6434 1 12 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.089 0.748 19013 6435 1 12 . 1 1 9 9 THR N N 9 113.221 113.221 113.474 -0.253 19013 6436 1 12 . 1 1 9 9 THR HA H 9 4.295 4.295 3.733 0.562 19013 6437 1 12 . 1 1 9 9 THR C C 9 175.371 175.371 175.575 -0.204 19013 6438 1 12 . 1 1 9 9 THR CA C 9 62.279 62.279 65.235 -2.956 19013 6439 1 12 . 1 1 9 9 THR CB C 9 69.828 69.828 67.987 1.841 19013 6440 1 12 . 1 1 10 10 GLY N N 10 110.774 110.774 110.081 0.693 19013 6441 1 12 . 1 1 10 10 GLY C C 10 173.283 173.283 174.150 -0.867 19013 6442 1 12 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.728 -0.997 19013 6443 1 12 . 1 1 11 11 ASN N N 11 116.215 116.215 119.970 -3.755 19013 6444 1 12 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.509 -0.242 19013 6445 1 12 . 1 1 11 11 ASN C C 11 174.352 174.352 173.774 0.578 19013 6446 1 12 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.592 -0.125 19013 6447 1 12 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.416 1.067 19013 6448 1 12 . 1 1 12 12 ALA N N 12 121.979 121.979 120.064 1.915 19013 6449 1 12 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.396 0.589 19013 6450 1 12 . 1 1 12 12 ALA C C 12 177.325 177.325 175.848 1.477 19013 6451 1 12 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.310 0.227 19013 6452 1 12 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.496 0.334 19013 6453 1 12 . 1 1 13 13 VAL N N 13 116.191 116.191 116.722 -0.531 19013 6454 1 12 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.304 0.022 19013 6455 1 12 . 1 1 13 13 VAL C C 13 175.275 175.275 174.339 0.936 19013 6456 1 12 . 1 1 13 13 VAL CA C 13 58.762 58.762 58.939 -0.177 19013 6457 1 12 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.358 -0.197 19013 6458 1 12 . 1 1 14 14 VAL N N 14 119.334 119.334 122.515 -3.181 19013 6459 1 12 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.675 0.563 19013 6460 1 12 . 1 1 14 14 VAL C C 14 174.716 174.716 175.582 -0.866 19013 6461 1 12 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.555 -0.259 19013 6462 1 12 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.425 1.956 19013 6463 1 12 . 1 1 15 15 VAL N N 15 127.812 127.812 128.573 -0.761 19013 6464 1 12 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.202 0.106 19013 6465 1 12 . 1 1 15 15 VAL C C 15 176.256 176.256 175.434 0.822 19013 6466 1 12 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.994 -0.839 19013 6467 1 12 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.499 0.802 19013 6468 1 12 . 1 1 16 16 PHE N N 16 122.243 122.243 121.599 0.644 19013 6469 1 12 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.156 0.763 19013 6470 1 12 . 1 1 16 16 PHE C C 16 174.623 174.623 174.692 -0.069 19013 6471 1 12 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.248 0.887 19013 6472 1 12 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.083 0.010 19013 6473 1 12 . 1 1 17 17 GLY N N 17 106.894 106.894 106.256 0.638 19013 6474 1 12 . 1 1 17 17 GLY C C 17 174.023 174.023 173.644 0.379 19013 6475 1 12 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.241 -0.280 19013 6476 1 12 . 1 1 18 18 TYR N N 18 115.205 115.205 116.426 -1.221 19013 6477 1 12 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.005 -0.139 19013 6478 1 12 . 1 1 18 18 TYR C C 18 173.847 173.847 174.954 -1.107 19013 6479 1 12 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.023 -1.858 19013 6480 1 12 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.559 0.272 19013 6481 1 12 . 1 1 19 19 ARG N N 19 116.814 116.814 122.356 -5.542 19013 6482 1 12 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.228 0.227 19013 6483 1 12 . 1 1 19 19 ARG C C 19 177.198 177.198 176.516 0.682 19013 6484 1 12 . 1 1 19 19 ARG CA C 19 54.928 54.928 57.966 -3.038 19013 6485 1 12 . 1 1 19 19 ARG CB C 19 30.721 30.721 31.404 -0.683 19013 6486 1 12 . 1 1 20 20 GLU N N 20 125.261 125.261 116.167 9.094 19013 6487 1 12 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.363 -0.306 19013 6488 1 12 . 1 1 20 20 GLU C C 20 180.643 180.643 175.545 5.098 19013 6489 1 12 . 1 1 20 20 GLU CA C 20 59.529 59.529 56.992 2.537 19013 6490 1 12 . 1 1 20 20 GLU CB C 20 29.863 29.863 30.420 -0.557 19013 6491 1 12 . 1 1 21 21 ALA N N 21 119.760 119.760 121.994 -2.234 19013 6492 1 12 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.310 0.044 19013 6493 1 12 . 1 1 21 21 ALA C C 21 179.291 179.291 178.709 0.582 19013 6494 1 12 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.627 1.053 19013 6495 1 12 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.344 1.066 19013 6496 1 12 . 1 1 22 22 ILE N N 22 109.751 109.751 112.577 -2.826 19013 6497 1 12 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.214 0.961 19013 6498 1 12 . 1 1 22 22 ILE C C 22 175.636 175.636 176.558 -0.922 19013 6499 1 12 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.925 -0.694 19013 6500 1 12 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.660 1.785 19013 6501 1 12 . 1 1 23 23 THR N N 23 118.763 118.763 119.279 -0.516 19013 6502 1 12 . 1 1 23 23 THR HA H 23 3.375 3.375 3.859 -0.484 19013 6503 1 12 . 1 1 23 23 THR C C 23 175.159 175.159 176.377 -1.218 19013 6504 1 12 . 1 1 23 23 THR CA C 23 68.267 68.267 67.655 0.612 19013 6505 1 12 . 1 1 23 23 THR CB C 23 69.564 69.564 68.060 1.504 19013 6506 1 12 . 1 1 24 24 LYS N N 24 118.723 118.723 118.814 -0.091 19013 6507 1 12 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.043 -0.380 19013 6508 1 12 . 1 1 24 24 LYS C C 24 178.421 178.421 179.011 -0.590 19013 6509 1 12 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.789 2.265 19013 6510 1 12 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.291 0.490 19013 6511 1 12 . 1 1 25 25 GLN N N 25 118.276 118.276 118.217 0.059 19013 6512 1 12 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.249 -0.206 19013 6513 1 12 . 1 1 25 25 GLN C C 25 179.248 179.248 178.769 0.479 19013 6514 1 12 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.382 1.298 19013 6515 1 12 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.472 -1.227 19013 6516 1 12 . 1 1 26 26 ILE N N 26 122.000 122.000 121.558 0.442 19013 6517 1 12 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.526 0.243 19013 6518 1 12 . 1 1 26 26 ILE C C 26 177.797 177.797 177.452 0.345 19013 6519 1 12 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.759 -1.581 19013 6520 1 12 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.109 -2.518 19013 6521 1 12 . 1 1 27 27 LEU N N 27 119.685 119.685 121.535 -1.850 19013 6522 1 12 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.058 -0.140 19013 6523 1 12 . 1 1 27 27 LEU C C 27 178.173 178.173 177.538 0.635 19013 6524 1 12 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.559 0.748 19013 6525 1 12 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.518 -0.431 19013 6526 1 12 . 1 1 28 28 ALA N N 28 118.927 118.927 120.369 -1.442 19013 6527 1 12 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.038 -0.176 19013 6528 1 12 . 1 1 28 28 ALA C C 28 179.693 179.693 178.676 1.017 19013 6529 1 12 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.793 0.109 19013 6530 1 12 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.358 -0.242 19013 6531 1 12 . 1 1 29 29 TYR N N 29 119.687 119.687 117.523 2.164 19013 6532 1 12 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.320 -0.398 19013 6533 1 12 . 1 1 29 29 TYR C C 29 178.234 178.234 177.363 0.871 19013 6534 1 12 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.640 0.496 19013 6535 1 12 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.926 -1.550 19013 6536 1 12 . 1 1 30 30 PHE N N 30 115.353 115.353 118.118 -2.765 19013 6537 1 12 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.700 -0.771 19013 6538 1 12 . 1 1 30 30 PHE C C 30 180.031 180.031 176.982 3.049 19013 6539 1 12 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.819 1.996 19013 6540 1 12 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.587 -0.636 19013 6541 1 12 . 1 1 31 31 ALA N N 31 125.929 125.929 122.840 3.089 19013 6542 1 12 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.378 0.084 19013 6543 1 12 . 1 1 31 31 ALA C C 31 178.235 178.235 178.964 -0.729 19013 6544 1 12 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.668 -0.874 19013 6545 1 12 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.289 -0.807 19013 6546 1 12 . 1 1 32 32 GLN N N 32 113.541 113.541 118.245 -4.704 19013 6547 1 12 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.976 -0.020 19013 6548 1 12 . 1 1 32 32 GLN C C 32 177.465 177.465 177.694 -0.229 19013 6549 1 12 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.353 -1.394 19013 6550 1 12 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.471 0.614 19013 6551 1 12 . 1 1 33 33 PHE N N 33 114.638 114.638 116.897 -2.259 19013 6552 1 12 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.385 0.265 19013 6553 1 12 . 1 1 33 33 PHE C C 33 175.848 175.848 176.499 -0.651 19013 6554 1 12 . 1 1 33 33 PHE CA C 33 57.066 57.066 60.530 -3.464 19013 6555 1 12 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.234 -2.304 19013 6556 1 12 . 1 1 34 34 GLY N N 34 106.452 106.452 103.150 3.302 19013 6557 1 12 . 1 1 34 34 GLY C C 34 170.428 170.428 171.913 -1.485 19013 6558 1 12 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.154 -0.590 19013 6559 1 12 . 1 1 35 35 GLU N N 35 118.228 118.228 121.168 -2.940 19013 6560 1 12 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.472 -0.306 19013 6561 1 12 . 1 1 35 35 GLU C C 35 175.939 175.939 174.955 0.984 19013 6562 1 12 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.218 1.167 19013 6563 1 12 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.164 -0.049 19013 6564 1 12 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.185 0.379 19013 6565 1 12 . 1 1 36 36 ILE C C 36 176.530 176.530 175.064 1.466 19013 6566 1 12 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.887 -1.040 19013 6567 1 12 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.444 2.150 19013 6568 1 12 . 1 1 37 37 LEU N N 37 125.464 125.464 119.297 6.167 19013 6569 1 12 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.329 -0.240 19013 6570 1 12 . 1 1 37 37 LEU C C 37 178.470 178.470 177.489 0.981 19013 6571 1 12 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.652 3.462 19013 6572 1 12 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.339 -1.163 19013 6573 1 12 . 1 1 38 38 GLU N N 38 120.405 120.405 118.908 1.497 19013 6574 1 12 . 1 1 38 38 GLU HA H 38 4.179 4.179 3.984 0.195 19013 6575 1 12 . 1 1 38 38 GLU C C 38 175.620 175.620 176.242 -0.622 19013 6576 1 12 . 1 1 38 38 GLU CA C 38 58.630 58.630 58.089 0.541 19013 6577 1 12 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.011 -0.460 19013 6578 1 12 . 1 1 39 39 ASP N N 39 117.746 117.746 118.588 -0.842 19013 6579 1 12 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.574 -0.072 19013 6580 1 12 . 1 1 39 39 ASP C C 39 176.811 176.811 175.826 0.985 19013 6581 1 12 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.493 -0.623 19013 6582 1 12 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.788 -0.407 19013 6583 1 12 . 1 1 40 40 LEU N N 40 127.180 127.180 125.480 1.700 19013 6584 1 12 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.476 -0.166 19013 6585 1 12 . 1 1 40 40 LEU C C 40 177.950 177.950 177.330 0.620 19013 6586 1 12 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.363 -0.259 19013 6587 1 12 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.325 -1.619 19013 6588 1 12 . 1 1 41 41 GLU N N 41 120.599 120.599 116.553 4.046 19013 6589 1 12 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.940 -0.010 19013 6590 1 12 . 1 1 41 41 GLU C C 41 178.353 178.353 176.794 1.559 19013 6591 1 12 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.718 0.520 19013 6592 1 12 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.890 0.501 19013 6593 1 12 . 1 1 42 42 SER N N 42 114.356 114.356 116.301 -1.945 19013 6594 1 12 . 1 1 42 42 SER HA H 42 4.209 4.209 4.743 -0.534 19013 6595 1 12 . 1 1 42 42 SER C C 42 175.221 175.221 173.989 1.232 19013 6596 1 12 . 1 1 42 42 SER CA C 42 60.331 60.331 57.657 2.674 19013 6597 1 12 . 1 1 42 42 SER CB C 42 62.849 62.849 64.242 -1.393 19013 6598 1 12 . 1 1 43 43 GLU N N 43 119.711 119.711 125.356 -5.645 19013 6599 1 12 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.421 -0.135 19013 6600 1 12 . 1 1 43 43 GLU C C 43 176.893 176.893 176.871 0.022 19013 6601 1 12 . 1 1 43 43 GLU CA C 43 57.593 57.593 58.041 -0.448 19013 6602 1 12 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.072 0.369 19013 6603 1 12 . 1 1 44 44 LEU N N 44 117.788 117.788 116.984 0.804 19013 6604 1 12 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.548 -0.194 19013 6605 1 12 . 1 1 44 44 LEU C C 44 177.944 177.944 178.653 -0.709 19013 6606 1 12 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.990 -0.049 19013 6607 1 12 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.911 -1.536 19013 6608 1 12 . 1 1 45 45 GLY N N 45 108.349 108.349 108.032 0.317 19013 6609 1 12 . 1 1 45 45 GLY C C 45 173.791 173.791 174.571 -0.780 19013 6610 1 12 . 1 1 45 45 GLY CA C 45 45.637 45.637 46.493 -0.856 19013 6611 1 12 . 1 1 46 46 ASP N N 46 119.869 119.869 122.339 -2.470 19013 6612 1 12 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.604 0.085 19013 6613 1 12 . 1 1 46 46 ASP C C 46 176.628 176.628 177.530 -0.902 19013 6614 1 12 . 1 1 46 46 ASP CA C 46 54.021 54.021 55.010 -0.988 19013 6615 1 12 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.473 0.623 19013 6616 1 12 . 1 1 47 47 THR N N 47 113.962 113.962 113.890 0.072 19013 6617 1 12 . 1 1 47 47 THR HA H 47 4.258 4.258 4.176 0.082 19013 6618 1 12 . 1 1 47 47 THR C C 47 175.277 175.277 176.430 -1.153 19013 6619 1 12 . 1 1 47 47 THR CA C 47 62.715 62.715 63.902 -1.187 19013 6620 1 12 . 1 1 47 47 THR CB C 47 69.504 69.504 69.008 0.496 19013 6621 1 12 . 1 1 48 48 GLU N N 48 121.748 121.748 118.907 2.841 19013 6622 1 12 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.001 0.234 19013 6623 1 12 . 1 1 48 48 GLU C C 48 177.221 177.221 176.991 0.230 19013 6624 1 12 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.836 -1.331 19013 6625 1 12 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.923 0.795 19013 6626 1 12 . 1 1 49 49 THR N N 49 113.781 113.781 112.040 1.741 19013 6627 1 12 . 1 1 49 49 THR HA H 49 4.160 4.160 3.966 0.194 19013 6628 1 12 . 1 1 49 49 THR C C 49 174.979 174.979 175.304 -0.325 19013 6629 1 12 . 1 1 49 49 THR CA C 49 62.989 62.989 63.889 -0.900 19013 6630 1 12 . 1 1 49 49 THR CB C 49 69.198 69.198 68.970 0.228 19013 6631 1 12 . 1 1 50 50 MET N N 50 121.133 121.133 121.598 -0.465 19013 6632 1 12 . 1 1 50 50 MET HA H 50 4.295 4.295 4.780 -0.485 19013 6633 1 12 . 1 1 50 50 MET C C 50 175.846 175.846 173.646 2.200 19013 6634 1 12 . 1 1 50 50 MET CA C 50 55.981 55.981 54.653 1.328 19013 6635 1 12 . 1 1 50 50 MET CB C 50 32.549 32.549 31.830 0.719 19013 6636 1 12 . 1 1 51 51 ARG N N 51 120.641 120.641 121.382 -0.741 19013 6637 1 12 . 1 1 51 51 ARG HA H 51 4.338 4.338 5.179 -0.841 19013 6638 1 12 . 1 1 51 51 ARG C C 51 176.213 176.213 175.123 1.090 19013 6639 1 12 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.708 1.171 19013 6640 1 12 . 1 1 51 51 ARG CB C 51 30.606 30.606 34.443 -3.837 19013 6641 1 12 . 1 1 52 52 THR N N 52 116.663 116.663 111.630 5.033 19013 6642 1 12 . 1 1 52 52 THR HA H 52 4.564 4.564 4.202 0.362 19013 6643 1 12 . 1 1 52 52 THR C C 52 172.814 172.814 172.056 0.758 19013 6644 1 12 . 1 1 52 52 THR CA C 52 59.828 59.828 62.454 -2.626 19013 6645 1 12 . 1 1 52 52 THR CB C 52 69.498 69.498 67.916 1.582 19013 6646 1 12 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.483 -0.143 19013 6647 1 12 . 1 1 53 53 PRO C C 53 177.518 177.518 177.983 -0.465 19013 6648 1 12 . 1 1 53 53 PRO CA C 53 63.990 63.990 62.812 1.178 19013 6649 1 12 . 1 1 53 53 PRO CB C 53 31.917 31.917 30.801 1.116 19013 6650 1 12 . 1 1 54 54 GLY N N 54 108.804 108.804 114.278 -5.474 19013 6651 1 12 . 1 1 54 54 GLY C C 54 174.121 174.121 173.549 0.572 19013 6652 1 12 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.514 -0.145 19013 6653 1 12 . 1 1 55 55 TYR N N 55 119.872 119.872 122.890 -3.018 19013 6654 1 12 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.604 -0.244 19013 6655 1 12 . 1 1 55 55 TYR C C 55 175.550 175.550 174.433 1.117 19013 6656 1 12 . 1 1 55 55 TYR CA C 55 58.508 58.508 58.085 0.423 19013 6657 1 12 . 1 1 55 55 TYR CB C 55 38.907 38.907 40.919 -2.012 19013 6658 1 12 . 1 1 56 56 PHE N N 56 121.248 121.248 120.413 0.835 19013 6659 1 12 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.680 -0.251 19013 6660 1 12 . 1 1 56 56 PHE C C 56 175.354 175.354 175.913 -0.559 19013 6661 1 12 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.850 1.288 19013 6662 1 12 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.442 -0.929 19013 6663 1 12 . 1 1 57 57 PHE N N 57 121.226 121.226 118.573 2.653 19013 6664 1 12 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.913 -0.440 19013 6665 1 12 . 1 1 57 57 PHE C C 57 175.182 175.182 175.627 -0.445 19013 6666 1 12 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.881 0.945 19013 6667 1 12 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.973 -0.444 19013 6668 1 12 . 1 1 58 58 GLN N N 58 121.160 121.160 122.496 -1.336 19013 6669 1 12 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.409 -0.177 19013 6670 1 12 . 1 1 58 58 GLN C C 58 175.287 175.287 177.215 -1.928 19013 6671 1 12 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.139 0.267 19013 6672 1 12 . 1 1 58 58 GLN CB C 58 29.477 29.477 29.731 -0.254 19013 6673 1 12 . 1 1 59 59 GLN N N 59 120.923 120.923 122.766 -1.843 19013 6674 1 12 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.112 0.174 19013 6675 1 12 . 1 1 59 59 GLN C C 59 175.318 175.318 175.559 -0.241 19013 6676 1 12 . 1 1 59 59 GLN CA C 59 55.297 55.297 57.254 -1.957 19013 6677 1 12 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.274 0.145 19013 6678 1 12 . 1 1 60 60 ALA N N 60 126.737 126.737 120.310 6.427 19013 6679 1 12 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.198 0.338 19013 6680 1 12 . 1 1 60 60 ALA C C 60 175.924 175.924 175.520 0.404 19013 6681 1 12 . 1 1 60 60 ALA CA C 60 50.682 50.682 52.008 -1.326 19013 6682 1 12 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.799 0.374 19013 6683 1 12 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.381 0.023 19013 6684 1 12 . 1 1 61 61 PRO C C 61 176.902 176.902 176.135 0.767 19013 6685 1 12 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.298 -0.749 19013 6686 1 12 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.090 -0.108 19013 6687 1 12 . 1 1 62 62 ASN N N 62 116.490 116.490 116.374 0.116 19013 6688 1 12 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.786 -0.186 19013 6689 1 12 . 1 1 62 62 ASN C C 62 174.942 174.942 175.572 -0.630 19013 6690 1 12 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.435 -0.136 19013 6691 1 12 . 1 1 62 62 ASN CB C 62 38.021 38.021 39.609 -1.588 19013 6692 1 12 . 1 1 63 63 ARG N N 63 120.117 120.117 120.741 -0.624 19013 6693 1 12 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.530 -0.169 19013 6694 1 12 . 1 1 63 63 ARG C C 63 175.853 175.853 175.115 0.738 19013 6695 1 12 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.698 0.857 19013 6696 1 12 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.680 -1.595 19013 6697 1 12 . 1 1 64 64 ARG N N 64 123.061 123.061 121.350 1.711 19013 6698 1 12 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.460 -0.160 19013 6699 1 12 . 1 1 64 64 ARG C C 64 175.995 175.995 176.398 -0.403 19013 6700 1 12 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.598 -0.595 19013 6701 1 12 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.848 -0.368 19013 6702 1 12 . 1 1 65 65 ARG N N 65 123.698 123.698 121.549 2.149 19013 6703 1 12 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.530 0.046 19013 6704 1 12 . 1 1 65 65 ARG C C 65 176.085 176.085 174.435 1.650 19013 6705 1 12 . 1 1 65 65 ARG CA C 65 55.448 55.448 54.812 0.636 19013 6706 1 12 . 1 1 65 65 ARG CB C 65 31.155 31.155 32.608 -1.452 19013 6707 1 12 . 1 1 66 66 ILE N N 66 120.928 120.928 121.772 -0.844 19013 6708 1 12 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.318 0.117 19013 6709 1 12 . 1 1 66 66 ILE C C 66 175.488 175.488 175.979 -0.491 19013 6710 1 12 . 1 1 66 66 ILE CA C 66 60.214 60.214 60.153 0.061 19013 6711 1 12 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.050 1.104 19013 6712 1 12 . 1 1 67 67 SER N N 67 119.534 119.534 122.751 -3.217 19013 6713 1 12 . 1 1 67 67 SER HA H 67 4.431 4.431 4.274 0.157 19013 6714 1 12 . 1 1 67 67 SER C C 67 174.034 174.034 174.828 -0.794 19013 6715 1 12 . 1 1 67 67 SER CA C 67 58.599 58.599 60.708 -2.109 19013 6716 1 12 . 1 1 67 67 SER CB C 67 63.499 63.499 63.563 -0.064 19013 6717 1 12 . 1 1 68 68 ARG N N 68 124.936 124.936 119.664 5.272 19013 6718 1 12 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.506 0.069 19013 6719 1 12 . 1 1 68 68 ARG C C 68 175.967 175.967 174.884 1.083 19013 6720 1 12 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.390 1.064 19013 6721 1 12 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.445 1.028 19013 6722 1 12 . 1 1 69 69 GLU N N 69 136.462 136.462 121.654 14.808 19013 6723 1 12 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.332 0.173 19013 6724 1 12 . 1 1 69 69 GLU C C 69 174.852 174.852 175.825 -0.973 19013 6725 1 12 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.605 -0.411 19013 6726 1 12 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.137 -0.336 19013 6727 1 12 . 1 1 70 70 HIS N N 70 120.728 120.728 121.345 -0.617 19013 6728 1 12 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.684 -0.948 19013 6729 1 12 . 1 1 70 70 HIS C C 70 171.455 171.455 173.340 -1.885 19013 6730 1 12 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.791 0.783 19013 6731 1 12 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.280 -1.164 19013 6732 1 12 . 1 1 71 71 GLY N N 71 108.698 108.698 109.549 -0.851 19013 6733 1 12 . 1 1 71 71 GLY C C 71 174.611 174.611 172.821 1.790 19013 6734 1 12 . 1 1 71 71 GLY CA C 71 43.064 43.064 42.609 0.455 19013 6735 1 12 . 1 1 72 72 ARG N N 72 123.350 123.350 119.013 4.337 19013 6736 1 12 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.145 0.050 19013 6737 1 12 . 1 1 72 72 ARG C C 72 178.495 178.495 176.286 2.209 19013 6738 1 12 . 1 1 72 72 ARG CA C 72 60.196 60.196 58.722 1.474 19013 6739 1 12 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.020 -0.198 19013 6740 1 12 . 1 1 73 73 THR N N 73 103.467 103.467 106.348 -2.881 19013 6741 1 12 . 1 1 73 73 THR HA H 73 4.196 4.196 4.531 -0.335 19013 6742 1 12 . 1 1 73 73 THR C C 73 171.300 171.300 173.011 -1.711 19013 6743 1 12 . 1 1 73 73 THR CA C 73 59.336 59.336 61.192 -1.856 19013 6744 1 12 . 1 1 73 73 THR CB C 73 69.837 69.837 69.830 0.007 19013 6745 1 12 . 1 1 74 74 TRP N N 74 112.582 112.582 119.387 -6.805 19013 6746 1 12 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.564 0.143 19013 6747 1 12 . 1 1 74 74 TRP C C 74 176.667 176.667 174.155 2.512 19013 6748 1 12 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.802 0.080 19013 6749 1 12 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.837 1.023 19013 6750 1 12 . 1 1 75 75 THR N N 75 114.629 114.629 118.756 -4.127 19013 6751 1 12 . 1 1 75 75 THR HA H 75 4.594 4.594 4.744 -0.150 19013 6752 1 12 . 1 1 75 75 THR C C 75 170.237 170.237 173.251 -3.014 19013 6753 1 12 . 1 1 75 75 THR CA C 75 61.354 61.354 61.516 -0.162 19013 6754 1 12 . 1 1 75 75 THR CB C 75 69.887 69.887 71.793 -1.906 19013 6755 1 12 . 1 1 76 76 LYS N N 76 130.596 130.596 129.775 0.821 19013 6756 1 12 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.302 0.420 19013 6757 1 12 . 1 1 76 76 LYS C C 76 177.934 177.934 175.650 2.284 19013 6758 1 12 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.664 0.376 19013 6759 1 12 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.725 1.445 19013 6760 1 12 . 1 1 77 77 LEU N N 77 128.006 128.006 129.012 -1.006 19013 6761 1 12 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.603 -0.316 19013 6762 1 12 . 1 1 77 77 LEU C C 77 174.557 174.557 175.403 -0.846 19013 6763 1 12 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.703 1.595 19013 6764 1 12 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.471 1.629 19013 6765 1 12 . 1 1 78 78 THR N N 78 123.666 123.666 120.056 3.610 19013 6766 1 12 . 1 1 78 78 THR HA H 78 4.435 4.435 4.921 -0.486 19013 6767 1 12 . 1 1 78 78 THR C C 78 174.067 174.067 174.259 -0.192 19013 6768 1 12 . 1 1 78 78 THR CA C 78 62.500 62.500 61.595 0.905 19013 6769 1 12 . 1 1 78 78 THR CB C 78 67.902 67.902 69.715 -1.813 19013 6770 1 12 . 1 1 79 79 TYR N N 79 125.290 125.290 126.201 -0.911 19013 6771 1 12 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.476 0.476 19013 6772 1 12 . 1 1 79 79 TYR C C 79 176.523 176.523 177.182 -0.659 19013 6773 1 12 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.926 -0.547 19013 6774 1 12 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.831 0.988 19013 6775 1 12 . 1 1 80 80 ALA N N 80 121.971 121.971 122.250 -0.279 19013 6776 1 12 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.847 0.213 19013 6777 1 12 . 1 1 80 80 ALA C C 80 177.255 177.255 177.385 -0.130 19013 6778 1 12 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.776 0.154 19013 6779 1 12 . 1 1 80 80 ALA CB C 80 19.186 19.186 16.993 2.193 19013 6780 1 12 . 1 1 81 81 ASN N N 81 112.786 112.786 119.798 -7.012 19013 6781 1 12 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.766 0.331 19013 6782 1 12 . 1 1 81 81 ASN C C 81 175.438 175.438 176.277 -0.839 19013 6783 1 12 . 1 1 81 81 ASN CA C 81 51.488 51.488 53.042 -1.554 19013 6784 1 12 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.145 2.285 19013 6785 1 12 . 1 1 82 82 HIS N N 82 123.560 123.560 122.195 1.365 19013 6786 1 12 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.584 -0.297 19013 6787 1 12 . 1 1 82 82 HIS C C 82 176.494 176.494 176.661 -0.167 19013 6788 1 12 . 1 1 82 82 HIS CA C 82 59.091 59.091 57.772 1.319 19013 6789 1 12 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.228 -0.665 19013 6790 1 12 . 1 1 83 83 SER N N 83 114.623 114.623 115.935 -1.312 19013 6791 1 12 . 1 1 83 83 SER HA H 83 4.095 4.095 4.026 0.069 19013 6792 1 12 . 1 1 83 83 SER C C 83 177.619 177.619 176.340 1.279 19013 6793 1 12 . 1 1 83 83 SER CA C 83 61.637 61.637 61.120 0.518 19013 6794 1 12 . 1 1 83 83 SER CB C 83 61.644 61.644 62.834 -1.190 19013 6795 1 12 . 1 1 84 84 SER N N 84 120.863 120.863 116.118 4.745 19013 6796 1 12 . 1 1 84 84 SER HA H 84 3.935 3.935 4.597 -0.662 19013 6797 1 12 . 1 1 84 84 SER C C 84 173.466 173.466 175.435 -1.969 19013 6798 1 12 . 1 1 84 84 SER CA C 84 62.250 62.250 59.333 2.917 19013 6799 1 12 . 1 1 84 84 SER CB C 84 62.700 62.700 63.958 -1.258 19013 6800 1 12 . 1 1 85 85 TYR N N 85 122.263 122.263 124.682 -2.419 19013 6801 1 12 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.881 -0.112 19013 6802 1 12 . 1 1 85 85 TYR C C 85 175.010 175.010 177.014 -2.004 19013 6803 1 12 . 1 1 85 85 TYR CA C 85 60.673 60.673 62.009 -1.336 19013 6804 1 12 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.492 -0.867 19013 6805 1 12 . 1 1 86 86 LEU N N 86 117.366 117.366 117.796 -0.430 19013 6806 1 12 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.952 -0.415 19013 6807 1 12 . 1 1 86 86 LEU C C 86 179.942 179.942 178.333 1.609 19013 6808 1 12 . 1 1 86 86 LEU CA C 86 57.269 57.269 58.009 -0.740 19013 6809 1 12 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.542 0.152 19013 6810 1 12 . 1 1 87 87 ARG N N 87 118.578 118.578 118.471 0.107 19013 6811 1 12 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.085 -0.237 19013 6812 1 12 . 1 1 87 87 ARG C C 87 178.784 178.784 178.488 0.296 19013 6813 1 12 . 1 1 87 87 ARG CA C 87 57.441 57.441 59.036 -1.595 19013 6814 1 12 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.361 -1.420 19013 6815 1 12 . 1 1 88 88 ALA N N 88 123.868 123.868 120.752 3.116 19013 6816 1 12 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.253 -0.710 19013 6817 1 12 . 1 1 88 88 ALA C C 88 179.517 179.517 179.035 0.482 19013 6818 1 12 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.461 1.953 19013 6819 1 12 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.060 0.082 19013 6820 1 12 . 1 1 89 89 LEU N N 89 114.573 114.573 120.256 -5.683 19013 6821 1 12 . 1 1 89 89 LEU HA H 89 3.924 3.924 3.993 -0.069 19013 6822 1 12 . 1 1 89 89 LEU C C 89 180.088 180.088 175.681 4.407 19013 6823 1 12 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.846 2.571 19013 6824 1 12 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.868 0.018 19013 6825 1 12 . 1 1 90 90 ARG N N 90 116.735 116.735 118.700 -1.965 19013 6826 1 12 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.145 -0.013 19013 6827 1 12 . 1 1 90 90 ARG C C 90 177.429 177.429 175.810 1.619 19013 6828 1 12 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.698 1.101 19013 6829 1 12 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.579 0.255 19013 6830 1 12 . 1 1 91 91 GLU N N 91 115.787 115.787 121.313 -5.526 19013 6831 1 12 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.654 -0.507 19013 6832 1 12 . 1 1 91 91 GLU C C 91 176.303 176.303 175.782 0.521 19013 6833 1 12 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.368 -0.032 19013 6834 1 12 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.338 -0.633 19013 6835 1 12 . 1 1 92 92 HIS N N 92 118.997 118.997 115.991 3.006 19013 6836 1 12 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.841 -0.570 19013 6837 1 12 . 1 1 92 92 HIS C C 92 176.823 176.823 176.376 0.447 19013 6838 1 12 . 1 1 92 92 HIS CA C 92 59.453 59.453 54.671 4.782 19013 6839 1 12 . 1 1 92 92 HIS CB C 92 30.812 30.812 31.119 -0.307 19013 6840 1 12 . 1 1 93 93 GLY N N 93 116.944 116.944 112.445 4.499 19013 6841 1 12 . 1 1 93 93 GLY C C 93 174.512 174.512 173.822 0.690 19013 6842 1 12 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.665 -0.689 19013 6843 1 12 . 1 1 94 94 THR N N 94 117.838 117.838 115.736 2.102 19013 6844 1 12 . 1 1 94 94 THR HA H 94 4.059 4.059 4.501 -0.442 19013 6845 1 12 . 1 1 94 94 THR C C 94 172.656 172.656 172.540 0.116 19013 6846 1 12 . 1 1 94 94 THR CA C 94 63.330 63.330 61.674 1.656 19013 6847 1 12 . 1 1 94 94 THR CB C 94 69.936 69.936 69.453 0.483 19013 6848 1 12 . 1 1 95 95 ILE N N 95 124.155 124.155 126.144 -1.989 19013 6849 1 12 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.537 -0.149 19013 6850 1 12 . 1 1 95 95 ILE C C 95 175.534 175.534 174.733 0.801 19013 6851 1 12 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.625 -0.848 19013 6852 1 12 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.698 -3.708 19013 6853 1 12 . 1 1 96 96 TYR N N 96 130.370 130.370 127.877 2.493 19013 6854 1 12 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.833 -0.270 19013 6855 1 12 . 1 1 96 96 TYR C C 96 174.539 174.539 175.548 -1.009 19013 6856 1 12 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.183 -0.727 19013 6857 1 12 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.169 -0.442 19013 6858 1 12 . 1 1 97 97 CYS N N 97 123.936 123.936 123.840 0.096 19013 6859 1 12 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.817 -0.159 19013 6860 1 12 . 1 1 97 97 CYS C C 97 175.798 175.798 174.600 1.198 19013 6861 1 12 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.944 0.877 19013 6862 1 12 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.807 -2.328 19013 6863 1 12 . 1 1 98 98 GLY N N 98 103.268 103.268 105.357 -2.089 19013 6864 1 12 . 1 1 98 98 GLY C C 98 173.270 173.270 172.976 0.294 19013 6865 1 12 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.811 0.501 19013 6866 1 12 . 1 1 99 99 ALA N N 99 123.511 123.511 123.630 -0.119 19013 6867 1 12 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.765 -0.070 19013 6868 1 12 . 1 1 99 99 ALA C C 99 175.215 175.215 175.604 -0.389 19013 6869 1 12 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.750 0.028 19013 6870 1 12 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.607 0.148 19013 6871 1 12 . 1 1 100 100 ALA N N 100 124.957 124.957 124.007 0.950 19013 6872 1 12 . 1 1 100 100 ALA HA H 100 4.633 4.633 4.892 -0.259 19013 6873 1 12 . 1 1 100 100 ALA C C 100 177.477 177.477 177.673 -0.196 19013 6874 1 12 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.243 0.280 19013 6875 1 12 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.279 -1.110 19013 6876 1 12 . 1 1 101 101 ILE N N 101 121.598 121.598 119.647 1.951 19013 6877 1 12 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.901 -0.446 19013 6878 1 12 . 1 1 101 101 ILE C C 101 175.956 175.956 175.505 0.451 19013 6879 1 12 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.606 0.358 19013 6880 1 12 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.230 1.605 19013 6881 1 12 . 1 1 102 102 GLY N N 102 113.717 113.717 114.449 -0.732 19013 6882 1 12 . 1 1 102 102 GLY C C 102 172.857 172.857 172.467 0.390 19013 6883 1 12 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.560 -1.116 19013 6884 1 12 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.100 0.434 19013 6885 1 12 . 1 1 103 103 CYS C C 103 172.624 172.624 173.600 -0.976 19013 6886 1 12 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.176 1.527 19013 6887 1 12 . 1 1 103 103 CYS CB C 103 27.343 27.343 27.500 -0.157 19013 6888 1 12 . 1 1 104 104 VAL N N 104 118.519 118.519 123.823 -5.304 19013 6889 1 12 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.761 0.144 19013 6890 1 12 . 1 1 104 104 VAL C C 104 172.705 172.705 173.641 -0.936 19013 6891 1 12 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.846 -0.433 19013 6892 1 12 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.491 -0.388 19013 6893 1 12 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.795 -0.180 19013 6894 1 12 . 1 1 105 105 PRO C C 105 176.557 176.557 177.243 -0.686 19013 6895 1 12 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.058 0.496 19013 6896 1 12 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.438 0.228 19013 6897 1 12 . 1 1 106 106 TYR N N 106 121.923 121.923 124.887 -2.964 19013 6898 1 12 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.031 -0.201 19013 6899 1 12 . 1 1 106 106 TYR C C 106 174.643 174.643 175.925 -1.282 19013 6900 1 12 . 1 1 106 106 TYR CA C 106 61.018 61.018 61.788 -0.769 19013 6901 1 12 . 1 1 106 106 TYR CB C 106 39.387 39.387 39.174 0.213 19013 6902 1 12 . 1 1 107 107 LYS N N 107 124.087 124.087 114.732 9.355 19013 6903 1 12 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.058 0.123 19013 6904 1 12 . 1 1 107 107 LYS C C 107 176.443 176.443 176.668 -0.225 19013 6905 1 12 . 1 1 107 107 LYS CA C 107 54.777 54.777 56.831 -2.054 19013 6906 1 12 . 1 1 107 107 LYS CB C 107 35.925 35.925 32.290 3.635 19013 6907 1 12 . 1 1 108 108 HIS N N 108 124.171 124.171 122.814 1.357 19013 6908 1 12 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.185 -0.225 19013 6909 1 12 . 1 1 108 108 HIS C C 108 176.998 176.998 177.221 -0.223 19013 6910 1 12 . 1 1 108 108 HIS CA C 108 59.599 59.599 59.173 0.426 19013 6911 1 12 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.001 -1.453 19013 6912 1 12 . 1 1 109 109 GLU N N 109 118.941 118.941 120.073 -1.132 19013 6913 1 12 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.114 -0.201 19013 6914 1 12 . 1 1 109 109 GLU C C 109 177.738 177.738 178.948 -1.210 19013 6915 1 12 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.581 0.756 19013 6916 1 12 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.734 -0.015 19013 6917 1 12 . 1 1 110 110 LEU N N 110 118.555 118.555 120.461 -1.906 19013 6918 1 12 . 1 1 110 110 LEU HA H 110 4.001 4.001 4.179 -0.178 19013 6919 1 12 . 1 1 110 110 LEU C C 110 177.872 177.872 178.312 -0.440 19013 6920 1 12 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.298 -0.925 19013 6921 1 12 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.568 0.387 19013 6922 1 12 . 1 1 111 111 ILE N N 111 117.129 117.129 117.925 -0.796 19013 6923 1 12 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.077 -0.107 19013 6924 1 12 . 1 1 111 111 ILE C C 111 178.773 178.773 178.101 0.672 19013 6925 1 12 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.649 -0.911 19013 6926 1 12 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.992 -0.574 19013 6927 1 12 . 1 1 112 112 SER N N 112 116.165 116.165 116.195 -0.030 19013 6928 1 12 . 1 1 112 112 SER HA H 112 4.000 4.000 4.057 -0.057 19013 6929 1 12 . 1 1 112 112 SER C C 112 176.313 176.313 176.993 -0.680 19013 6930 1 12 . 1 1 112 112 SER CA C 112 61.433 61.433 61.676 -0.243 19013 6931 1 12 . 1 1 112 112 SER CB C 112 62.188 62.188 62.816 -0.628 19013 6932 1 12 . 1 1 113 113 GLU N N 113 120.732 120.732 122.100 -1.368 19013 6933 1 12 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.944 0.042 19013 6934 1 12 . 1 1 113 113 GLU C C 113 178.799 178.799 178.609 0.190 19013 6935 1 12 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.994 -0.473 19013 6936 1 12 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.605 -0.223 19013 6937 1 12 . 1 1 114 114 LEU N N 114 119.452 119.452 117.709 1.743 19013 6938 1 12 . 1 1 114 114 LEU HA H 114 3.723 3.723 4.021 -0.298 19013 6939 1 12 . 1 1 114 114 LEU C C 114 179.184 179.184 177.897 1.287 19013 6940 1 12 . 1 1 114 114 LEU CA C 114 56.684 56.684 56.094 0.589 19013 6941 1 12 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.122 -1.135 19013 6942 1 12 . 1 1 115 115 SER N N 115 112.708 112.708 114.596 -1.888 19013 6943 1 12 . 1 1 115 115 SER HA H 115 4.615 4.615 4.464 0.151 19013 6944 1 12 . 1 1 115 115 SER C C 115 174.994 174.994 175.052 -0.058 19013 6945 1 12 . 1 1 115 115 SER CA C 115 59.706 59.706 59.643 0.063 19013 6946 1 12 . 1 1 115 115 SER CB C 115 63.512 63.512 62.590 0.923 19013 6947 1 12 . 1 1 116 116 ARG N N 116 121.600 121.600 120.261 1.339 19013 6948 1 12 . 1 1 116 116 ARG HA H 116 4.241 4.241 3.756 0.485 19013 6949 1 12 . 1 1 116 116 ARG C C 116 176.893 176.893 176.402 0.491 19013 6950 1 12 . 1 1 116 116 ARG CA C 116 57.022 57.022 58.367 -1.345 19013 6951 1 12 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.420 0.743 19013 6952 1 12 . 1 1 117 117 GLU N N 117 120.450 120.450 117.221 3.229 19013 6953 1 12 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.261 -0.021 19013 6954 1 12 . 1 1 117 117 GLU C C 117 177.260 177.260 176.820 0.440 19013 6955 1 12 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.516 0.526 19013 6956 1 12 . 1 1 117 117 GLU CB C 117 29.763 29.763 29.578 0.185 19013 6957 1 12 . 1 1 118 118 GLY N N 118 108.905 108.905 108.707 0.198 19013 6958 1 12 . 1 1 118 118 GLY C C 118 174.225 174.225 173.730 0.495 19013 6959 1 12 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.752 0.631 19013 6960 1 12 . 1 1 119 119 HIS N N 119 117.625 117.625 121.620 -3.995 19013 6961 1 12 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.606 0.053 19013 6962 1 12 . 1 1 119 119 HIS C C 119 174.439 174.439 175.909 -1.470 19013 6963 1 12 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.934 -0.521 19013 6964 1 12 . 1 1 119 119 HIS CB C 119 28.904 28.904 31.079 -2.175 19013 6965 1 12 . 1 1 120 120 HIS N N 120 119.015 119.015 120.615 -1.600 19013 6966 1 12 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.626 0.046 19013 6967 1 12 . 1 1 120 120 HIS C C 120 174.259 174.259 174.693 -0.434 19013 6968 1 12 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.900 -0.579 19013 6969 1 12 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.368 -1.270 19013 6970 1 12 . 1 1 121 121 HIS N N 121 119.872 119.872 119.265 0.607 19013 6971 1 12 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.500 0.180 19013 6972 1 12 . 1 1 121 121 HIS C C 121 174.245 174.245 175.041 -0.796 19013 6973 1 12 . 1 1 121 121 HIS CA C 121 55.389 55.389 57.270 -1.881 19013 6974 1 12 . 1 1 121 121 HIS CB C 121 29.259 29.259 30.757 -1.498 19013 6975 1 12 . 1 1 122 122 HIS N N 122 120.597 120.597 115.211 5.386 19013 6976 1 12 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.643 0.044 19013 6977 1 12 . 1 1 122 122 HIS C C 122 174.101 174.101 175.007 -0.906 19013 6978 1 12 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.937 -0.551 19013 6979 1 12 . 1 1 122 122 HIS CB C 122 29.349 29.349 31.351 -2.002 19013 6980 1 12 . 1 1 123 123 HIS N N 123 120.680 120.680 120.330 0.350 19013 6981 1 12 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.278 0.378 19013 6982 1 12 . 1 1 123 123 HIS C C 123 173.591 173.591 175.426 -1.835 19013 6983 1 12 . 1 1 123 123 HIS CA C 123 55.563 55.563 57.706 -2.143 19013 6984 1 12 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.174 -0.718 19013 6985 1 13 . 1 1 2 2 SER HA H 2 4.167 4.167 4.349 -0.182 19013 6986 1 13 . 1 1 2 2 SER C C 2 170.960 170.960 174.415 -3.455 19013 6987 1 13 . 1 1 2 2 SER CA C 2 57.139 57.139 58.550 -1.411 19013 6988 1 13 . 1 1 2 2 SER CB C 2 63.027 63.027 63.124 -0.097 19013 6989 1 13 . 1 1 3 3 LEU N N 3 123.102 123.102 128.221 -5.119 19013 6990 1 13 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.387 0.028 19013 6991 1 13 . 1 1 3 3 LEU C C 3 177.886 177.886 178.705 -0.819 19013 6992 1 13 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.244 0.381 19013 6993 1 13 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.079 0.255 19013 6994 1 13 . 1 1 4 4 GLY N N 4 110.546 110.546 107.720 2.826 19013 6995 1 13 . 1 1 4 4 GLY C C 4 174.473 174.473 174.460 0.013 19013 6996 1 13 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.362 -0.092 19013 6997 1 13 . 1 1 5 5 SER N N 5 115.839 115.839 114.907 0.932 19013 6998 1 13 . 1 1 5 5 SER HA H 5 4.472 4.472 4.245 0.227 19013 6999 1 13 . 1 1 5 5 SER C C 5 175.085 175.085 174.360 0.725 19013 7000 1 13 . 1 1 5 5 SER CA C 5 58.419 58.419 59.180 -0.761 19013 7001 1 13 . 1 1 5 5 SER CB C 5 63.648 63.648 63.399 0.249 19013 7002 1 13 . 1 1 6 6 GLU N N 6 122.855 122.855 121.686 1.169 19013 7003 1 13 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.421 -0.081 19013 7004 1 13 . 1 1 6 6 GLU C C 6 176.767 176.767 176.172 0.595 19013 7005 1 13 . 1 1 6 6 GLU CA C 6 57.020 57.020 57.334 -0.314 19013 7006 1 13 . 1 1 6 6 GLU CB C 6 29.785 29.785 30.459 -0.674 19013 7007 1 13 . 1 1 7 7 SER N N 7 116.046 116.046 114.668 1.378 19013 7008 1 13 . 1 1 7 7 SER HA H 7 4.444 4.444 4.662 -0.218 19013 7009 1 13 . 1 1 7 7 SER C C 7 174.946 174.946 174.531 0.415 19013 7010 1 13 . 1 1 7 7 SER CA C 7 58.587 58.587 57.853 0.734 19013 7011 1 13 . 1 1 7 7 SER CB C 7 63.645 63.645 64.562 -0.917 19013 7012 1 13 . 1 1 8 8 GLU N N 8 122.758 122.758 125.077 -2.319 19013 7013 1 13 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.289 0.083 19013 7014 1 13 . 1 1 8 8 GLU C C 8 176.929 176.929 176.972 -0.043 19013 7015 1 13 . 1 1 8 8 GLU CA C 8 56.902 56.902 58.213 -1.311 19013 7016 1 13 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.502 0.335 19013 7017 1 13 . 1 1 9 9 THR N N 9 113.221 113.221 108.469 4.752 19013 7018 1 13 . 1 1 9 9 THR HA H 9 4.295 4.295 4.296 -0.001 19013 7019 1 13 . 1 1 9 9 THR C C 9 175.371 175.371 175.336 0.035 19013 7020 1 13 . 1 1 9 9 THR CA C 9 62.279 62.279 61.847 0.432 19013 7021 1 13 . 1 1 9 9 THR CB C 9 69.828 69.828 69.032 0.796 19013 7022 1 13 . 1 1 10 10 GLY N N 10 110.774 110.774 110.786 -0.012 19013 7023 1 13 . 1 1 10 10 GLY C C 10 173.283 173.283 173.565 -0.282 19013 7024 1 13 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.067 0.664 19013 7025 1 13 . 1 1 11 11 ASN N N 11 116.215 116.215 121.221 -5.006 19013 7026 1 13 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.916 -0.649 19013 7027 1 13 . 1 1 11 11 ASN C C 11 174.352 174.352 174.197 0.155 19013 7028 1 13 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.897 -0.430 19013 7029 1 13 . 1 1 11 11 ASN CB C 11 39.483 39.483 40.338 -0.855 19013 7030 1 13 . 1 1 12 12 ALA N N 12 121.979 121.979 123.204 -1.225 19013 7031 1 13 . 1 1 12 12 ALA HA H 12 5.985 5.985 4.778 1.207 19013 7032 1 13 . 1 1 12 12 ALA C C 12 177.325 177.325 176.679 0.646 19013 7033 1 13 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.463 -0.926 19013 7034 1 13 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.250 1.581 19013 7035 1 13 . 1 1 13 13 VAL N N 13 116.191 116.191 118.402 -2.211 19013 7036 1 13 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.076 0.250 19013 7037 1 13 . 1 1 13 13 VAL C C 13 175.275 175.275 173.924 1.351 19013 7038 1 13 . 1 1 13 13 VAL CA C 13 58.762 58.762 58.988 -0.226 19013 7039 1 13 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.587 -0.427 19013 7040 1 13 . 1 1 14 14 VAL N N 14 119.334 119.334 121.520 -2.186 19013 7041 1 13 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.801 0.437 19013 7042 1 13 . 1 1 14 14 VAL C C 14 174.716 174.716 175.395 -0.679 19013 7043 1 13 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.382 -0.086 19013 7044 1 13 . 1 1 14 14 VAL CB C 14 34.380 34.380 33.140 1.240 19013 7045 1 13 . 1 1 15 15 VAL N N 15 127.812 127.812 127.468 0.344 19013 7046 1 13 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.869 0.439 19013 7047 1 13 . 1 1 15 15 VAL C C 15 176.256 176.256 175.212 1.044 19013 7048 1 13 . 1 1 15 15 VAL CA C 15 60.155 60.155 61.185 -1.030 19013 7049 1 13 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.593 0.708 19013 7050 1 13 . 1 1 16 16 PHE N N 16 122.243 122.243 121.601 0.642 19013 7051 1 13 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.251 0.668 19013 7052 1 13 . 1 1 16 16 PHE C C 16 174.623 174.623 174.804 -0.181 19013 7053 1 13 . 1 1 16 16 PHE CA C 16 56.135 56.135 54.884 1.251 19013 7054 1 13 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.956 0.137 19013 7055 1 13 . 1 1 17 17 GLY N N 17 106.894 106.894 106.002 0.892 19013 7056 1 13 . 1 1 17 17 GLY C C 17 174.023 174.023 173.678 0.345 19013 7057 1 13 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.288 -0.327 19013 7058 1 13 . 1 1 18 18 TYR N N 18 115.205 115.205 116.732 -1.527 19013 7059 1 13 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.978 -0.112 19013 7060 1 13 . 1 1 18 18 TYR C C 18 173.847 173.847 173.521 0.326 19013 7061 1 13 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.211 -2.046 19013 7062 1 13 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.807 0.024 19013 7063 1 13 . 1 1 19 19 ARG N N 19 116.814 116.814 119.610 -2.796 19013 7064 1 13 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.648 -0.193 19013 7065 1 13 . 1 1 19 19 ARG C C 19 177.198 177.198 176.150 1.048 19013 7066 1 13 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.409 0.519 19013 7067 1 13 . 1 1 19 19 ARG CB C 19 30.721 30.721 34.075 -3.354 19013 7068 1 13 . 1 1 20 20 GLU N N 20 125.261 125.261 124.353 0.908 19013 7069 1 13 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.192 -0.135 19013 7070 1 13 . 1 1 20 20 GLU C C 20 180.643 180.643 175.154 5.489 19013 7071 1 13 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.746 1.783 19013 7072 1 13 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.837 1.026 19013 7073 1 13 . 1 1 21 21 ALA N N 21 119.760 119.760 125.430 -5.670 19013 7074 1 13 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.410 -0.056 19013 7075 1 13 . 1 1 21 21 ALA C C 21 179.291 179.291 178.110 1.181 19013 7076 1 13 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.498 2.183 19013 7077 1 13 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.564 -1.153 19013 7078 1 13 . 1 1 22 22 ILE N N 22 109.751 109.751 118.979 -9.228 19013 7079 1 13 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.464 0.711 19013 7080 1 13 . 1 1 22 22 ILE C C 22 175.636 175.636 175.536 0.100 19013 7081 1 13 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.970 -0.739 19013 7082 1 13 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.108 2.337 19013 7083 1 13 . 1 1 23 23 THR N N 23 118.763 118.763 119.617 -0.854 19013 7084 1 13 . 1 1 23 23 THR HA H 23 3.375 3.375 3.950 -0.575 19013 7085 1 13 . 1 1 23 23 THR C C 23 175.159 175.159 176.343 -1.184 19013 7086 1 13 . 1 1 23 23 THR CA C 23 68.267 68.267 67.378 0.889 19013 7087 1 13 . 1 1 23 23 THR CB C 23 69.564 69.564 68.432 1.132 19013 7088 1 13 . 1 1 24 24 LYS N N 24 118.723 118.723 119.913 -1.190 19013 7089 1 13 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.133 -0.470 19013 7090 1 13 . 1 1 24 24 LYS C C 24 178.421 178.421 178.998 -0.577 19013 7091 1 13 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.032 2.022 19013 7092 1 13 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.868 -0.087 19013 7093 1 13 . 1 1 25 25 GLN N N 25 118.276 118.276 119.102 -0.826 19013 7094 1 13 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.111 -0.068 19013 7095 1 13 . 1 1 25 25 GLN C C 25 179.248 179.248 179.006 0.242 19013 7096 1 13 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.853 0.827 19013 7097 1 13 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.752 -0.507 19013 7098 1 13 . 1 1 26 26 ILE N N 26 122.000 122.000 120.805 1.195 19013 7099 1 13 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.376 0.393 19013 7100 1 13 . 1 1 26 26 ILE C C 26 177.797 177.797 177.299 0.498 19013 7101 1 13 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.540 -1.362 19013 7102 1 13 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.852 -2.261 19013 7103 1 13 . 1 1 27 27 LEU N N 27 119.685 119.685 121.765 -2.080 19013 7104 1 13 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.080 -0.162 19013 7105 1 13 . 1 1 27 27 LEU C C 27 178.173 178.173 177.696 0.477 19013 7106 1 13 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.449 0.858 19013 7107 1 13 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.388 -0.301 19013 7108 1 13 . 1 1 28 28 ALA N N 28 118.927 118.927 121.223 -2.296 19013 7109 1 13 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.030 -0.168 19013 7110 1 13 . 1 1 28 28 ALA C C 28 179.693 179.693 178.804 0.889 19013 7111 1 13 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.861 0.041 19013 7112 1 13 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.129 -0.013 19013 7113 1 13 . 1 1 29 29 TYR N N 29 119.687 119.687 117.724 1.963 19013 7114 1 13 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.367 -0.445 19013 7115 1 13 . 1 1 29 29 TYR C C 29 178.234 178.234 177.057 1.177 19013 7116 1 13 . 1 1 29 29 TYR CA C 29 61.136 61.136 61.110 0.026 19013 7117 1 13 . 1 1 29 29 TYR CB C 29 38.376 38.376 40.096 -1.720 19013 7118 1 13 . 1 1 30 30 PHE N N 30 115.353 115.353 118.189 -2.836 19013 7119 1 13 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.744 -0.815 19013 7120 1 13 . 1 1 30 30 PHE C C 30 180.031 180.031 176.803 3.228 19013 7121 1 13 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.627 2.188 19013 7122 1 13 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.007 -1.056 19013 7123 1 13 . 1 1 31 31 ALA N N 31 125.929 125.929 122.778 3.151 19013 7124 1 13 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.499 -0.037 19013 7125 1 13 . 1 1 31 31 ALA C C 31 178.235 178.235 178.324 -0.089 19013 7126 1 13 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.389 -0.595 19013 7127 1 13 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.419 -0.937 19013 7128 1 13 . 1 1 32 32 GLN N N 32 113.541 113.541 115.477 -1.936 19013 7129 1 13 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.996 -0.040 19013 7130 1 13 . 1 1 32 32 GLN C C 32 177.465 177.465 176.744 0.721 19013 7131 1 13 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.029 -0.070 19013 7132 1 13 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.507 0.578 19013 7133 1 13 . 1 1 33 33 PHE N N 33 114.638 114.638 116.450 -1.812 19013 7134 1 13 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.572 0.078 19013 7135 1 13 . 1 1 33 33 PHE C C 33 175.848 175.848 175.168 0.680 19013 7136 1 13 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.466 -2.400 19013 7137 1 13 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.483 -3.553 19013 7138 1 13 . 1 1 34 34 GLY N N 34 106.452 106.452 104.372 2.080 19013 7139 1 13 . 1 1 34 34 GLY C C 34 170.428 170.428 171.725 -1.297 19013 7140 1 13 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.116 -0.552 19013 7141 1 13 . 1 1 35 35 GLU N N 35 118.228 118.228 120.094 -1.866 19013 7142 1 13 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.578 -0.412 19013 7143 1 13 . 1 1 35 35 GLU C C 35 175.939 175.939 175.165 0.774 19013 7144 1 13 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.654 1.730 19013 7145 1 13 . 1 1 35 35 GLU CB C 35 30.115 30.115 31.076 -0.961 19013 7146 1 13 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.175 0.389 19013 7147 1 13 . 1 1 36 36 ILE C C 36 176.530 176.530 174.582 1.948 19013 7148 1 13 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.477 -0.630 19013 7149 1 13 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.209 2.385 19013 7150 1 13 . 1 1 37 37 LEU N N 37 125.464 125.464 122.423 3.041 19013 7151 1 13 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.957 0.132 19013 7152 1 13 . 1 1 37 37 LEU C C 37 178.470 178.470 177.023 1.447 19013 7153 1 13 . 1 1 37 37 LEU CA C 37 57.114 57.114 55.197 1.917 19013 7154 1 13 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.876 0.300 19013 7155 1 13 . 1 1 38 38 GLU N N 38 120.405 120.405 118.863 1.542 19013 7156 1 13 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.346 -0.167 19013 7157 1 13 . 1 1 38 38 GLU C C 38 175.620 175.620 177.156 -1.536 19013 7158 1 13 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.792 1.838 19013 7159 1 13 . 1 1 38 38 GLU CB C 38 29.551 29.551 29.754 -0.203 19013 7160 1 13 . 1 1 39 39 ASP N N 39 117.746 117.746 118.909 -1.163 19013 7161 1 13 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.487 0.015 19013 7162 1 13 . 1 1 39 39 ASP C C 39 176.811 176.811 175.958 0.853 19013 7163 1 13 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.516 -1.646 19013 7164 1 13 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.274 -0.893 19013 7165 1 13 . 1 1 40 40 LEU N N 40 127.180 127.180 119.327 7.853 19013 7166 1 13 . 1 1 40 40 LEU HA H 40 4.310 4.310 3.955 0.355 19013 7167 1 13 . 1 1 40 40 LEU C C 40 177.950 177.950 175.873 2.077 19013 7168 1 13 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.180 -0.076 19013 7169 1 13 . 1 1 40 40 LEU CB C 40 41.706 41.706 40.523 1.183 19013 7170 1 13 . 1 1 41 41 GLU N N 41 120.599 120.599 121.487 -0.888 19013 7171 1 13 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.500 -0.570 19013 7172 1 13 . 1 1 41 41 GLU C C 41 178.353 178.353 176.131 2.222 19013 7173 1 13 . 1 1 41 41 GLU CA C 41 59.238 59.238 57.397 1.841 19013 7174 1 13 . 1 1 41 41 GLU CB C 41 29.391 29.391 31.988 -2.597 19013 7175 1 13 . 1 1 42 42 SER N N 42 114.356 114.356 112.899 1.457 19013 7176 1 13 . 1 1 42 42 SER HA H 42 4.209 4.209 5.038 -0.829 19013 7177 1 13 . 1 1 42 42 SER C C 42 175.221 175.221 173.953 1.268 19013 7178 1 13 . 1 1 42 42 SER CA C 42 60.331 60.331 58.019 2.312 19013 7179 1 13 . 1 1 42 42 SER CB C 42 62.849 62.849 63.727 -0.878 19013 7180 1 13 . 1 1 43 43 GLU N N 43 119.711 119.711 124.637 -4.926 19013 7181 1 13 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.337 -0.051 19013 7182 1 13 . 1 1 43 43 GLU C C 43 176.893 176.893 177.481 -0.588 19013 7183 1 13 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.261 0.331 19013 7184 1 13 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.636 0.805 19013 7185 1 13 . 1 1 44 44 LEU N N 44 117.788 117.788 120.489 -2.701 19013 7186 1 13 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.323 0.031 19013 7187 1 13 . 1 1 44 44 LEU C C 44 177.944 177.944 176.998 0.946 19013 7188 1 13 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.056 -0.115 19013 7189 1 13 . 1 1 44 44 LEU CB C 44 42.375 42.375 42.431 -0.056 19013 7190 1 13 . 1 1 45 45 GLY N N 45 108.349 108.349 104.946 3.403 19013 7191 1 13 . 1 1 45 45 GLY C C 45 173.791 173.791 173.146 0.645 19013 7192 1 13 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.740 0.897 19013 7193 1 13 . 1 1 46 46 ASP N N 46 119.869 119.869 117.083 2.786 19013 7194 1 13 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.808 -0.119 19013 7195 1 13 . 1 1 46 46 ASP C C 46 176.628 176.628 176.091 0.537 19013 7196 1 13 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.680 -0.659 19013 7197 1 13 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.537 -0.441 19013 7198 1 13 . 1 1 47 47 THR N N 47 113.962 113.962 112.337 1.625 19013 7199 1 13 . 1 1 47 47 THR HA H 47 4.258 4.258 4.685 -0.427 19013 7200 1 13 . 1 1 47 47 THR C C 47 175.277 175.277 174.637 0.640 19013 7201 1 13 . 1 1 47 47 THR CA C 47 62.715 62.715 63.476 -0.761 19013 7202 1 13 . 1 1 47 47 THR CB C 47 69.504 69.504 69.605 -0.101 19013 7203 1 13 . 1 1 48 48 GLU N N 48 121.748 121.748 123.004 -1.256 19013 7204 1 13 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.416 -0.181 19013 7205 1 13 . 1 1 48 48 GLU C C 48 177.221 177.221 175.871 1.350 19013 7206 1 13 . 1 1 48 48 GLU CA C 48 57.505 57.505 56.568 0.937 19013 7207 1 13 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.066 1.652 19013 7208 1 13 . 1 1 49 49 THR N N 49 113.781 113.781 111.914 1.867 19013 7209 1 13 . 1 1 49 49 THR HA H 49 4.160 4.160 4.341 -0.181 19013 7210 1 13 . 1 1 49 49 THR C C 49 174.979 174.979 175.494 -0.515 19013 7211 1 13 . 1 1 49 49 THR CA C 49 62.989 62.989 62.864 0.125 19013 7212 1 13 . 1 1 49 49 THR CB C 49 69.198 69.198 68.904 0.294 19013 7213 1 13 . 1 1 50 50 MET N N 50 121.133 121.133 121.014 0.119 19013 7214 1 13 . 1 1 50 50 MET HA H 50 4.295 4.295 4.655 -0.360 19013 7215 1 13 . 1 1 50 50 MET C C 50 175.846 175.846 175.187 0.659 19013 7216 1 13 . 1 1 50 50 MET CA C 50 55.981 55.981 54.035 1.946 19013 7217 1 13 . 1 1 50 50 MET CB C 50 32.549 32.549 30.646 1.903 19013 7218 1 13 . 1 1 51 51 ARG N N 51 120.641 120.641 123.555 -2.914 19013 7219 1 13 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.232 0.106 19013 7220 1 13 . 1 1 51 51 ARG C C 51 176.213 176.213 176.060 0.153 19013 7221 1 13 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.500 0.379 19013 7222 1 13 . 1 1 51 51 ARG CB C 51 30.606 30.606 27.200 3.406 19013 7223 1 13 . 1 1 52 52 THR N N 52 116.663 116.663 112.854 3.809 19013 7224 1 13 . 1 1 52 52 THR HA H 52 4.564 4.564 4.938 -0.374 19013 7225 1 13 . 1 1 52 52 THR C C 52 172.814 172.814 173.389 -0.575 19013 7226 1 13 . 1 1 52 52 THR CA C 52 59.828 59.828 58.886 0.942 19013 7227 1 13 . 1 1 52 52 THR CB C 52 69.498 69.498 70.565 -1.067 19013 7228 1 13 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.399 -0.059 19013 7229 1 13 . 1 1 53 53 PRO C C 53 177.518 177.518 176.346 1.172 19013 7230 1 13 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.076 0.914 19013 7231 1 13 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.401 0.516 19013 7232 1 13 . 1 1 54 54 GLY N N 54 108.804 108.804 107.462 1.342 19013 7233 1 13 . 1 1 54 54 GLY C C 54 174.121 174.121 172.870 1.251 19013 7234 1 13 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.702 0.667 19013 7235 1 13 . 1 1 55 55 TYR N N 55 119.872 119.872 119.128 0.744 19013 7236 1 13 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.795 -0.435 19013 7237 1 13 . 1 1 55 55 TYR C C 55 175.550 175.550 173.865 1.685 19013 7238 1 13 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.856 1.652 19013 7239 1 13 . 1 1 55 55 TYR CB C 55 38.907 38.907 41.733 -2.826 19013 7240 1 13 . 1 1 56 56 PHE N N 56 121.248 121.248 119.746 1.502 19013 7241 1 13 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.848 -0.419 19013 7242 1 13 . 1 1 56 56 PHE C C 56 175.354 175.354 176.590 -1.236 19013 7243 1 13 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.964 1.174 19013 7244 1 13 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.467 -0.954 19013 7245 1 13 . 1 1 57 57 PHE N N 57 121.226 121.226 121.106 0.120 19013 7246 1 13 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.588 -0.115 19013 7247 1 13 . 1 1 57 57 PHE C C 57 175.182 175.182 175.326 -0.144 19013 7248 1 13 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.093 -0.267 19013 7249 1 13 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.657 -0.128 19013 7250 1 13 . 1 1 58 58 GLN N N 58 121.160 121.160 117.062 4.098 19013 7251 1 13 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.736 0.496 19013 7252 1 13 . 1 1 58 58 GLN C C 58 175.287 175.287 174.611 0.676 19013 7253 1 13 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.773 -0.367 19013 7254 1 13 . 1 1 58 58 GLN CB C 58 29.477 29.477 28.709 0.768 19013 7255 1 13 . 1 1 59 59 GLN N N 59 120.923 120.923 123.601 -2.678 19013 7256 1 13 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.492 -0.206 19013 7257 1 13 . 1 1 59 59 GLN C C 59 175.318 175.318 175.342 -0.024 19013 7258 1 13 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.627 -0.330 19013 7259 1 13 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.175 1.244 19013 7260 1 13 . 1 1 60 60 ALA N N 60 126.737 126.737 130.649 -3.912 19013 7261 1 13 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.891 -0.355 19013 7262 1 13 . 1 1 60 60 ALA C C 60 175.924 175.924 176.049 -0.125 19013 7263 1 13 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.213 1.469 19013 7264 1 13 . 1 1 60 60 ALA CB C 60 18.173 18.173 20.426 -2.253 19013 7265 1 13 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.243 0.161 19013 7266 1 13 . 1 1 61 61 PRO C C 61 176.902 176.902 177.112 -0.210 19013 7267 1 13 . 1 1 61 61 PRO CA C 61 63.549 63.549 65.166 -1.617 19013 7268 1 13 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.851 0.130 19013 7269 1 13 . 1 1 62 62 ASN N N 62 116.490 116.490 118.001 -1.511 19013 7270 1 13 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.841 -0.241 19013 7271 1 13 . 1 1 62 62 ASN C C 62 174.942 174.942 174.147 0.795 19013 7272 1 13 . 1 1 62 62 ASN CA C 62 53.299 53.299 52.771 0.528 19013 7273 1 13 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.975 0.046 19013 7274 1 13 . 1 1 63 63 ARG N N 63 120.117 120.117 121.589 -1.472 19013 7275 1 13 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.601 -0.240 19013 7276 1 13 . 1 1 63 63 ARG C C 63 175.853 175.853 175.606 0.247 19013 7277 1 13 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.880 0.675 19013 7278 1 13 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.852 -1.767 19013 7279 1 13 . 1 1 64 64 ARG N N 64 123.061 123.061 126.361 -3.300 19013 7280 1 13 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.311 -0.011 19013 7281 1 13 . 1 1 64 64 ARG C C 64 175.995 175.995 176.653 -0.658 19013 7282 1 13 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.978 -0.975 19013 7283 1 13 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.442 1.038 19013 7284 1 13 . 1 1 65 65 ARG N N 65 123.698 123.698 121.624 2.074 19013 7285 1 13 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.106 0.470 19013 7286 1 13 . 1 1 65 65 ARG C C 65 176.085 176.085 178.515 -2.430 19013 7287 1 13 . 1 1 65 65 ARG CA C 65 55.448 55.448 59.092 -3.644 19013 7288 1 13 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.315 0.840 19013 7289 1 13 . 1 1 66 66 ILE N N 66 120.928 120.928 118.474 2.454 19013 7290 1 13 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.876 0.559 19013 7291 1 13 . 1 1 66 66 ILE C C 66 175.488 175.488 175.497 -0.009 19013 7292 1 13 . 1 1 66 66 ILE CA C 66 60.214 60.214 63.131 -2.917 19013 7293 1 13 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.105 2.049 19013 7294 1 13 . 1 1 67 67 SER N N 67 119.534 119.534 111.481 8.053 19013 7295 1 13 . 1 1 67 67 SER HA H 67 4.431 4.431 4.187 0.244 19013 7296 1 13 . 1 1 67 67 SER C C 67 174.034 174.034 173.593 0.441 19013 7297 1 13 . 1 1 67 67 SER CA C 67 58.599 58.599 59.595 -0.996 19013 7298 1 13 . 1 1 67 67 SER CB C 67 63.499 63.499 61.843 1.655 19013 7299 1 13 . 1 1 68 68 ARG N N 68 124.936 124.936 118.392 6.544 19013 7300 1 13 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.571 0.004 19013 7301 1 13 . 1 1 68 68 ARG C C 68 175.967 175.967 174.990 0.977 19013 7302 1 13 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.020 1.434 19013 7303 1 13 . 1 1 68 68 ARG CB C 68 32.473 32.473 33.266 -0.793 19013 7304 1 13 . 1 1 69 69 GLU N N 69 136.462 136.462 123.476 12.986 19013 7305 1 13 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.445 0.060 19013 7306 1 13 . 1 1 69 69 GLU C C 69 174.852 174.852 175.587 -0.735 19013 7307 1 13 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.323 -0.129 19013 7308 1 13 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.247 -0.446 19013 7309 1 13 . 1 1 70 70 HIS N N 70 120.728 120.728 117.539 3.189 19013 7310 1 13 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.599 -0.863 19013 7311 1 13 . 1 1 70 70 HIS C C 70 171.455 171.455 172.865 -1.410 19013 7312 1 13 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.087 0.487 19013 7313 1 13 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.432 -0.316 19013 7314 1 13 . 1 1 71 71 GLY N N 71 108.698 108.698 107.666 1.032 19013 7315 1 13 . 1 1 71 71 GLY C C 71 174.611 174.611 172.762 1.849 19013 7316 1 13 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.106 -0.042 19013 7317 1 13 . 1 1 72 72 ARG N N 72 123.350 123.350 117.896 5.454 19013 7318 1 13 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.445 -0.250 19013 7319 1 13 . 1 1 72 72 ARG C C 72 178.495 178.495 175.813 2.682 19013 7320 1 13 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.360 2.836 19013 7321 1 13 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.710 -0.888 19013 7322 1 13 . 1 1 73 73 THR N N 73 103.467 103.467 107.891 -4.424 19013 7323 1 13 . 1 1 73 73 THR HA H 73 4.196 4.196 4.750 -0.554 19013 7324 1 13 . 1 1 73 73 THR C C 73 171.300 171.300 172.275 -0.975 19013 7325 1 13 . 1 1 73 73 THR CA C 73 59.336 59.336 62.055 -2.719 19013 7326 1 13 . 1 1 73 73 THR CB C 73 69.837 69.837 70.373 -0.536 19013 7327 1 13 . 1 1 74 74 TRP N N 74 112.582 112.582 119.269 -6.687 19013 7328 1 13 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.533 0.174 19013 7329 1 13 . 1 1 74 74 TRP C C 74 176.667 176.667 173.959 2.708 19013 7330 1 13 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.791 0.091 19013 7331 1 13 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.156 0.704 19013 7332 1 13 . 1 1 75 75 THR N N 75 114.629 114.629 118.042 -3.413 19013 7333 1 13 . 1 1 75 75 THR HA H 75 4.594 4.594 4.677 -0.083 19013 7334 1 13 . 1 1 75 75 THR C C 75 170.237 170.237 172.978 -2.741 19013 7335 1 13 . 1 1 75 75 THR CA C 75 61.354 61.354 61.994 -0.640 19013 7336 1 13 . 1 1 75 75 THR CB C 75 69.887 69.887 72.591 -2.704 19013 7337 1 13 . 1 1 76 76 LYS N N 76 130.596 130.596 128.435 2.161 19013 7338 1 13 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.218 0.504 19013 7339 1 13 . 1 1 76 76 LYS C C 76 177.934 177.934 175.759 2.175 19013 7340 1 13 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.571 0.469 19013 7341 1 13 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.579 1.591 19013 7342 1 13 . 1 1 77 77 LEU N N 77 128.006 128.006 129.021 -1.015 19013 7343 1 13 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.514 -0.227 19013 7344 1 13 . 1 1 77 77 LEU C C 77 174.557 174.557 175.304 -0.747 19013 7345 1 13 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.710 1.588 19013 7346 1 13 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.840 2.260 19013 7347 1 13 . 1 1 78 78 THR N N 78 123.666 123.666 120.370 3.296 19013 7348 1 13 . 1 1 78 78 THR HA H 78 4.435 4.435 4.727 -0.292 19013 7349 1 13 . 1 1 78 78 THR C C 78 174.067 174.067 174.315 -0.248 19013 7350 1 13 . 1 1 78 78 THR CA C 78 62.500 62.500 61.389 1.111 19013 7351 1 13 . 1 1 78 78 THR CB C 78 67.902 67.902 69.663 -1.761 19013 7352 1 13 . 1 1 79 79 TYR N N 79 125.290 125.290 125.464 -0.174 19013 7353 1 13 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.680 0.272 19013 7354 1 13 . 1 1 79 79 TYR C C 79 176.523 176.523 176.411 0.112 19013 7355 1 13 . 1 1 79 79 TYR CA C 79 59.379 59.379 57.233 2.146 19013 7356 1 13 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.901 0.918 19013 7357 1 13 . 1 1 80 80 ALA N N 80 121.971 121.971 120.287 1.684 19013 7358 1 13 . 1 1 80 80 ALA HA H 80 4.060 4.060 4.048 0.012 19013 7359 1 13 . 1 1 80 80 ALA C C 80 177.255 177.255 176.488 0.767 19013 7360 1 13 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.189 0.741 19013 7361 1 13 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.915 1.271 19013 7362 1 13 . 1 1 81 81 ASN N N 81 112.786 112.786 116.200 -3.414 19013 7363 1 13 . 1 1 81 81 ASN HA H 81 5.097 5.097 5.077 0.020 19013 7364 1 13 . 1 1 81 81 ASN C C 81 175.438 175.438 175.035 0.403 19013 7365 1 13 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.353 -0.865 19013 7366 1 13 . 1 1 81 81 ASN CB C 81 41.430 41.430 41.868 -0.438 19013 7367 1 13 . 1 1 82 82 HIS N N 82 123.560 123.560 120.694 2.866 19013 7368 1 13 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.709 -0.422 19013 7369 1 13 . 1 1 82 82 HIS C C 82 176.494 176.494 176.434 0.060 19013 7370 1 13 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.249 0.842 19013 7371 1 13 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.837 -1.274 19013 7372 1 13 . 1 1 83 83 SER N N 83 114.623 114.623 116.430 -1.807 19013 7373 1 13 . 1 1 83 83 SER HA H 83 4.095 4.095 4.184 -0.089 19013 7374 1 13 . 1 1 83 83 SER C C 83 177.619 177.619 176.474 1.145 19013 7375 1 13 . 1 1 83 83 SER CA C 83 61.637 61.637 60.895 0.743 19013 7376 1 13 . 1 1 83 83 SER CB C 83 61.644 61.644 62.434 -0.790 19013 7377 1 13 . 1 1 84 84 SER N N 84 120.863 120.863 115.175 5.688 19013 7378 1 13 . 1 1 84 84 SER HA H 84 3.935 3.935 4.423 -0.488 19013 7379 1 13 . 1 1 84 84 SER C C 84 173.466 173.466 176.036 -2.570 19013 7380 1 13 . 1 1 84 84 SER CA C 84 62.250 62.250 59.878 2.372 19013 7381 1 13 . 1 1 84 84 SER CB C 84 62.700 62.700 62.846 -0.146 19013 7382 1 13 . 1 1 85 85 TYR N N 85 122.263 122.263 124.814 -2.551 19013 7383 1 13 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.243 -0.474 19013 7384 1 13 . 1 1 85 85 TYR C C 85 175.010 175.010 176.938 -1.928 19013 7385 1 13 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.893 -1.220 19013 7386 1 13 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.597 -0.973 19013 7387 1 13 . 1 1 86 86 LEU N N 86 117.366 117.366 117.324 0.042 19013 7388 1 13 . 1 1 86 86 LEU HA H 86 3.537 3.537 4.031 -0.494 19013 7389 1 13 . 1 1 86 86 LEU C C 86 179.942 179.942 179.507 0.435 19013 7390 1 13 . 1 1 86 86 LEU CA C 86 57.269 57.269 58.137 -0.868 19013 7391 1 13 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.562 0.132 19013 7392 1 13 . 1 1 87 87 ARG N N 87 118.578 118.578 120.133 -1.555 19013 7393 1 13 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.020 -0.172 19013 7394 1 13 . 1 1 87 87 ARG C C 87 178.784 178.784 178.288 0.496 19013 7395 1 13 . 1 1 87 87 ARG CA C 87 57.441 57.441 59.064 -1.623 19013 7396 1 13 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.126 -1.185 19013 7397 1 13 . 1 1 88 88 ALA N N 88 123.868 123.868 121.147 2.721 19013 7398 1 13 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.136 -0.593 19013 7399 1 13 . 1 1 88 88 ALA C C 88 179.517 179.517 179.337 0.180 19013 7400 1 13 . 1 1 88 88 ALA CA C 88 55.414 55.414 54.026 1.388 19013 7401 1 13 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.162 -0.020 19013 7402 1 13 . 1 1 89 89 LEU N N 89 114.573 114.573 117.203 -2.630 19013 7403 1 13 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.227 -0.303 19013 7404 1 13 . 1 1 89 89 LEU C C 89 180.088 180.088 176.699 3.389 19013 7405 1 13 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.376 3.041 19013 7406 1 13 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.263 0.623 19013 7407 1 13 . 1 1 90 90 ARG N N 90 116.735 116.735 120.671 -3.936 19013 7408 1 13 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.104 0.028 19013 7409 1 13 . 1 1 90 90 ARG C C 90 177.429 177.429 175.848 1.581 19013 7410 1 13 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.181 0.618 19013 7411 1 13 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.613 -0.778 19013 7412 1 13 . 1 1 91 91 GLU N N 91 115.787 115.787 118.915 -3.128 19013 7413 1 13 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.855 -0.708 19013 7414 1 13 . 1 1 91 91 GLU C C 91 176.303 176.303 175.488 0.815 19013 7415 1 13 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.727 -0.391 19013 7416 1 13 . 1 1 91 91 GLU CB C 91 29.705 29.705 29.705 -0.000 19013 7417 1 13 . 1 1 92 92 HIS N N 92 118.997 118.997 121.164 -2.167 19013 7418 1 13 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.782 -0.511 19013 7419 1 13 . 1 1 92 92 HIS C C 92 176.823 176.823 176.503 0.320 19013 7420 1 13 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.943 2.510 19013 7421 1 13 . 1 1 92 92 HIS CB C 92 30.812 30.812 30.412 0.400 19013 7422 1 13 . 1 1 93 93 GLY N N 93 116.944 116.944 109.157 7.787 19013 7423 1 13 . 1 1 93 93 GLY C C 93 174.512 174.512 174.107 0.405 19013 7424 1 13 . 1 1 93 93 GLY CA C 93 44.976 44.976 44.861 0.115 19013 7425 1 13 . 1 1 94 94 THR N N 94 117.838 117.838 118.243 -0.405 19013 7426 1 13 . 1 1 94 94 THR HA H 94 4.059 4.059 4.479 -0.420 19013 7427 1 13 . 1 1 94 94 THR C C 94 172.656 172.656 172.882 -0.226 19013 7428 1 13 . 1 1 94 94 THR CA C 94 63.330 63.330 61.981 1.349 19013 7429 1 13 . 1 1 94 94 THR CB C 94 69.936 69.936 70.839 -0.903 19013 7430 1 13 . 1 1 95 95 ILE N N 95 124.155 124.155 126.879 -2.724 19013 7431 1 13 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.697 -0.309 19013 7432 1 13 . 1 1 95 95 ILE C C 95 175.534 175.534 174.727 0.807 19013 7433 1 13 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.465 -0.688 19013 7434 1 13 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.952 -3.962 19013 7435 1 13 . 1 1 96 96 TYR N N 96 130.370 130.370 128.508 1.862 19013 7436 1 13 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.782 -0.219 19013 7437 1 13 . 1 1 96 96 TYR C C 96 174.539 174.539 175.773 -1.234 19013 7438 1 13 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.674 -0.218 19013 7439 1 13 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.177 0.550 19013 7440 1 13 . 1 1 97 97 CYS N N 97 123.936 123.936 127.481 -3.545 19013 7441 1 13 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.043 -0.385 19013 7442 1 13 . 1 1 97 97 CYS C C 97 175.798 175.798 175.423 0.375 19013 7443 1 13 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.149 0.672 19013 7444 1 13 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.430 -0.951 19013 7445 1 13 . 1 1 98 98 GLY N N 98 103.268 103.268 105.928 -2.660 19013 7446 1 13 . 1 1 98 98 GLY C C 98 173.270 173.270 173.034 0.236 19013 7447 1 13 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.885 0.427 19013 7448 1 13 . 1 1 99 99 ALA N N 99 123.511 123.511 122.706 0.805 19013 7449 1 13 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.685 0.010 19013 7450 1 13 . 1 1 99 99 ALA C C 99 175.215 175.215 175.599 -0.384 19013 7451 1 13 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.875 -0.097 19013 7452 1 13 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.613 0.142 19013 7453 1 13 . 1 1 100 100 ALA N N 100 124.957 124.957 126.476 -1.519 19013 7454 1 13 . 1 1 100 100 ALA HA H 100 4.633 4.633 4.883 -0.250 19013 7455 1 13 . 1 1 100 100 ALA C C 100 177.477 177.477 177.229 0.248 19013 7456 1 13 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.401 0.122 19013 7457 1 13 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.468 -1.299 19013 7458 1 13 . 1 1 101 101 ILE N N 101 121.598 121.598 123.043 -1.445 19013 7459 1 13 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.192 0.263 19013 7460 1 13 . 1 1 101 101 ILE C C 101 175.956 175.956 175.530 0.426 19013 7461 1 13 . 1 1 101 101 ILE CA C 101 59.964 59.964 61.180 -1.216 19013 7462 1 13 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.657 1.178 19013 7463 1 13 . 1 1 102 102 GLY N N 102 113.717 113.717 114.729 -1.012 19013 7464 1 13 . 1 1 102 102 GLY C C 102 172.857 172.857 171.531 1.326 19013 7465 1 13 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.467 -1.022 19013 7466 1 13 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.691 -0.157 19013 7467 1 13 . 1 1 103 103 CYS C C 103 172.624 172.624 173.797 -1.173 19013 7468 1 13 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.309 2.394 19013 7469 1 13 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.716 -2.373 19013 7470 1 13 . 1 1 104 104 VAL N N 104 118.519 118.519 122.237 -3.718 19013 7471 1 13 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.762 0.143 19013 7472 1 13 . 1 1 104 104 VAL C C 104 172.705 172.705 173.194 -0.489 19013 7473 1 13 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.297 -0.884 19013 7474 1 13 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.834 -0.731 19013 7475 1 13 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.485 0.130 19013 7476 1 13 . 1 1 105 105 PRO C C 105 176.557 176.557 176.086 0.471 19013 7477 1 13 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.119 0.435 19013 7478 1 13 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.163 0.503 19013 7479 1 13 . 1 1 106 106 TYR N N 106 121.923 121.923 125.249 -3.326 19013 7480 1 13 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.210 -0.380 19013 7481 1 13 . 1 1 106 106 TYR C C 106 174.643 174.643 174.676 -0.033 19013 7482 1 13 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.344 1.674 19013 7483 1 13 . 1 1 106 106 TYR CB C 106 39.387 39.387 37.614 1.773 19013 7484 1 13 . 1 1 107 107 LYS N N 107 124.087 124.087 127.156 -3.069 19013 7485 1 13 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.385 -0.204 19013 7486 1 13 . 1 1 107 107 LYS C C 107 176.443 176.443 176.622 -0.179 19013 7487 1 13 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.545 0.232 19013 7488 1 13 . 1 1 107 107 LYS CB C 107 35.925 35.925 33.621 2.304 19013 7489 1 13 . 1 1 108 108 HIS N N 108 124.171 124.171 123.569 0.602 19013 7490 1 13 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.051 -0.091 19013 7491 1 13 . 1 1 108 108 HIS C C 108 176.998 176.998 177.440 -0.442 19013 7492 1 13 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.100 -0.501 19013 7493 1 13 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.088 -1.540 19013 7494 1 13 . 1 1 109 109 GLU N N 109 118.941 118.941 120.058 -1.117 19013 7495 1 13 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.077 -0.164 19013 7496 1 13 . 1 1 109 109 GLU C C 109 177.738 177.738 179.004 -1.266 19013 7497 1 13 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.658 0.679 19013 7498 1 13 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.293 -0.574 19013 7499 1 13 . 1 1 110 110 LEU N N 110 118.555 118.555 119.726 -1.171 19013 7500 1 13 . 1 1 110 110 LEU HA H 110 4.001 4.001 4.178 -0.177 19013 7501 1 13 . 1 1 110 110 LEU C C 110 177.872 177.872 177.975 -0.103 19013 7502 1 13 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.358 -0.985 19013 7503 1 13 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.503 0.452 19013 7504 1 13 . 1 1 111 111 ILE N N 111 117.129 117.129 118.028 -0.899 19013 7505 1 13 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.351 -0.381 19013 7506 1 13 . 1 1 111 111 ILE C C 111 178.773 178.773 178.457 0.316 19013 7507 1 13 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.846 -1.108 19013 7508 1 13 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.154 -0.736 19013 7509 1 13 . 1 1 112 112 SER N N 112 116.165 116.165 116.836 -0.671 19013 7510 1 13 . 1 1 112 112 SER HA H 112 4.000 4.000 4.166 -0.166 19013 7511 1 13 . 1 1 112 112 SER C C 112 176.313 176.313 177.068 -0.755 19013 7512 1 13 . 1 1 112 112 SER CA C 112 61.433 61.433 61.679 -0.246 19013 7513 1 13 . 1 1 112 112 SER CB C 112 62.188 62.188 62.731 -0.543 19013 7514 1 13 . 1 1 113 113 GLU N N 113 120.732 120.732 122.563 -1.831 19013 7515 1 13 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.849 0.137 19013 7516 1 13 . 1 1 113 113 GLU C C 113 178.799 178.799 179.105 -0.306 19013 7517 1 13 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.207 -0.686 19013 7518 1 13 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.363 0.019 19013 7519 1 13 . 1 1 114 114 LEU N N 114 119.452 119.452 118.889 0.563 19013 7520 1 13 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.685 0.038 19013 7521 1 13 . 1 1 114 114 LEU C C 114 179.184 179.184 179.055 0.129 19013 7522 1 13 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.260 -0.576 19013 7523 1 13 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.254 -1.267 19013 7524 1 13 . 1 1 115 115 SER N N 115 112.708 112.708 113.072 -0.364 19013 7525 1 13 . 1 1 115 115 SER HA H 115 4.615 4.615 4.211 0.404 19013 7526 1 13 . 1 1 115 115 SER C C 115 174.994 174.994 176.084 -1.090 19013 7527 1 13 . 1 1 115 115 SER CA C 115 59.706 59.706 60.843 -1.137 19013 7528 1 13 . 1 1 115 115 SER CB C 115 63.512 63.512 63.163 0.349 19013 7529 1 13 . 1 1 116 116 ARG N N 116 121.600 121.600 122.256 -0.656 19013 7530 1 13 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.129 0.112 19013 7531 1 13 . 1 1 116 116 ARG C C 116 176.893 176.893 175.962 0.931 19013 7532 1 13 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.068 -0.046 19013 7533 1 13 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.946 -0.783 19013 7534 1 13 . 1 1 117 117 GLU N N 117 120.450 120.450 118.637 1.813 19013 7535 1 13 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.958 0.282 19013 7536 1 13 . 1 1 117 117 GLU C C 117 177.260 177.260 175.153 2.107 19013 7537 1 13 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.956 0.086 19013 7538 1 13 . 1 1 117 117 GLU CB C 117 29.763 29.763 29.084 0.679 19013 7539 1 13 . 1 1 118 118 GLY N N 118 108.905 108.905 113.297 -4.392 19013 7540 1 13 . 1 1 118 118 GLY C C 118 174.225 174.225 173.511 0.714 19013 7541 1 13 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.529 0.854 19013 7542 1 13 . 1 1 119 119 HIS N N 119 117.625 117.625 120.746 -3.121 19013 7543 1 13 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.840 -0.181 19013 7544 1 13 . 1 1 119 119 HIS C C 119 174.439 174.439 175.742 -1.303 19013 7545 1 13 . 1 1 119 119 HIS CA C 119 55.413 55.413 54.603 0.810 19013 7546 1 13 . 1 1 119 119 HIS CB C 119 28.904 28.904 32.159 -3.255 19013 7547 1 13 . 1 1 120 120 HIS N N 120 119.015 119.015 118.400 0.615 19013 7548 1 13 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.485 0.187 19013 7549 1 13 . 1 1 120 120 HIS C C 120 174.259 174.259 175.086 -0.827 19013 7550 1 13 . 1 1 120 120 HIS CA C 120 55.321 55.321 58.227 -2.906 19013 7551 1 13 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.468 -1.370 19013 7552 1 13 . 1 1 121 121 HIS N N 121 119.872 119.872 114.856 5.016 19013 7553 1 13 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.796 -0.116 19013 7554 1 13 . 1 1 121 121 HIS C C 121 174.245 174.245 173.305 0.940 19013 7555 1 13 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.243 0.146 19013 7556 1 13 . 1 1 121 121 HIS CB C 121 29.259 29.259 32.503 -3.244 19013 7557 1 13 . 1 1 122 122 HIS N N 122 120.597 120.597 117.732 2.865 19013 7558 1 13 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.713 -0.026 19013 7559 1 13 . 1 1 122 122 HIS C C 122 174.101 174.101 175.435 -1.334 19013 7560 1 13 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.374 0.012 19013 7561 1 13 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.365 -1.016 19013 7562 1 13 . 1 1 123 123 HIS N N 123 120.680 120.680 121.107 -0.427 19013 7563 1 13 . 1 1 123 123 HIS HA H 123 4.656 4.656 3.968 0.688 19013 7564 1 13 . 1 1 123 123 HIS C C 123 173.591 173.591 174.952 -1.361 19013 7565 1 13 . 1 1 123 123 HIS CA C 123 55.563 55.563 58.700 -3.138 19013 7566 1 13 . 1 1 123 123 HIS CB C 123 29.456 29.456 28.730 0.726 19013 7567 1 14 . 1 1 2 2 SER HA H 2 4.167 4.167 4.659 -0.492 19013 7568 1 14 . 1 1 2 2 SER C C 2 170.960 170.960 174.809 -3.849 19013 7569 1 14 . 1 1 2 2 SER CA C 2 57.139 57.139 59.139 -2.000 19013 7570 1 14 . 1 1 2 2 SER CB C 2 63.027 63.027 63.887 -0.860 19013 7571 1 14 . 1 1 3 3 LEU N N 3 123.102 123.102 123.351 -0.249 19013 7572 1 14 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.522 -0.107 19013 7573 1 14 . 1 1 3 3 LEU C C 3 177.886 177.886 176.368 1.518 19013 7574 1 14 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.426 1.199 19013 7575 1 14 . 1 1 3 3 LEU CB C 3 42.334 42.334 43.247 -0.913 19013 7576 1 14 . 1 1 4 4 GLY N N 4 110.546 110.546 109.651 0.895 19013 7577 1 14 . 1 1 4 4 GLY C C 4 174.473 174.473 174.955 -0.482 19013 7578 1 14 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.679 0.591 19013 7579 1 14 . 1 1 5 5 SER N N 5 115.839 115.839 118.620 -2.781 19013 7580 1 14 . 1 1 5 5 SER HA H 5 4.472 4.472 4.207 0.265 19013 7581 1 14 . 1 1 5 5 SER C C 5 175.085 175.085 174.496 0.589 19013 7582 1 14 . 1 1 5 5 SER CA C 5 58.419 58.419 59.136 -0.717 19013 7583 1 14 . 1 1 5 5 SER CB C 5 63.648 63.648 63.401 0.247 19013 7584 1 14 . 1 1 6 6 GLU N N 6 122.855 122.855 121.004 1.851 19013 7585 1 14 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.234 0.106 19013 7586 1 14 . 1 1 6 6 GLU C C 6 176.767 176.767 175.730 1.037 19013 7587 1 14 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.704 0.316 19013 7588 1 14 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.616 1.169 19013 7589 1 14 . 1 1 7 7 SER N N 7 116.046 116.046 115.540 0.506 19013 7590 1 14 . 1 1 7 7 SER HA H 7 4.444 4.444 4.391 0.053 19013 7591 1 14 . 1 1 7 7 SER C C 7 174.946 174.946 175.697 -0.751 19013 7592 1 14 . 1 1 7 7 SER CA C 7 58.587 58.587 58.393 0.194 19013 7593 1 14 . 1 1 7 7 SER CB C 7 63.645 63.645 64.238 -0.593 19013 7594 1 14 . 1 1 8 8 GLU N N 8 122.758 122.758 118.504 4.254 19013 7595 1 14 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.072 0.300 19013 7596 1 14 . 1 1 8 8 GLU C C 8 176.929 176.929 176.612 0.317 19013 7597 1 14 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.776 -0.874 19013 7598 1 14 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.207 0.630 19013 7599 1 14 . 1 1 9 9 THR N N 9 113.221 113.221 113.924 -0.703 19013 7600 1 14 . 1 1 9 9 THR HA H 9 4.295 4.295 4.280 0.015 19013 7601 1 14 . 1 1 9 9 THR C C 9 175.371 175.371 175.296 0.075 19013 7602 1 14 . 1 1 9 9 THR CA C 9 62.279 62.279 64.355 -2.076 19013 7603 1 14 . 1 1 9 9 THR CB C 9 69.828 69.828 69.532 0.296 19013 7604 1 14 . 1 1 10 10 GLY N N 10 110.774 110.774 109.102 1.672 19013 7605 1 14 . 1 1 10 10 GLY C C 10 173.283 173.283 172.803 0.480 19013 7606 1 14 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.020 0.711 19013 7607 1 14 . 1 1 11 11 ASN N N 11 116.215 116.215 118.344 -2.129 19013 7608 1 14 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.551 -0.284 19013 7609 1 14 . 1 1 11 11 ASN C C 11 174.352 174.352 174.036 0.316 19013 7610 1 14 . 1 1 11 11 ASN CA C 11 52.467 52.467 51.933 0.534 19013 7611 1 14 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.399 1.084 19013 7612 1 14 . 1 1 12 12 ALA N N 12 121.979 121.979 121.766 0.213 19013 7613 1 14 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.471 0.514 19013 7614 1 14 . 1 1 12 12 ALA C C 12 177.325 177.325 176.084 1.241 19013 7615 1 14 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.691 -0.154 19013 7616 1 14 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.222 0.608 19013 7617 1 14 . 1 1 13 13 VAL N N 13 116.191 116.191 118.346 -2.155 19013 7618 1 14 . 1 1 13 13 VAL HA H 13 5.326 5.326 4.892 0.434 19013 7619 1 14 . 1 1 13 13 VAL C C 13 175.275 175.275 174.484 0.791 19013 7620 1 14 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.907 -1.145 19013 7621 1 14 . 1 1 13 13 VAL CB C 13 35.161 35.161 34.940 0.221 19013 7622 1 14 . 1 1 14 14 VAL N N 14 119.334 119.334 122.626 -3.292 19013 7623 1 14 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.486 0.752 19013 7624 1 14 . 1 1 14 14 VAL C C 14 174.716 174.716 174.931 -0.215 19013 7625 1 14 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.572 -0.276 19013 7626 1 14 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.738 1.642 19013 7627 1 14 . 1 1 15 15 VAL N N 15 127.812 127.812 128.200 -0.388 19013 7628 1 14 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.328 -0.020 19013 7629 1 14 . 1 1 15 15 VAL C C 15 176.256 176.256 175.234 1.022 19013 7630 1 14 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.809 -0.654 19013 7631 1 14 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.730 -0.429 19013 7632 1 14 . 1 1 16 16 PHE N N 16 122.243 122.243 120.385 1.858 19013 7633 1 14 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.281 0.638 19013 7634 1 14 . 1 1 16 16 PHE C C 16 174.623 174.623 175.105 -0.482 19013 7635 1 14 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.091 1.044 19013 7636 1 14 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.176 -0.083 19013 7637 1 14 . 1 1 17 17 GLY N N 17 106.894 106.894 106.743 0.151 19013 7638 1 14 . 1 1 17 17 GLY C C 17 174.023 174.023 172.911 1.112 19013 7639 1 14 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.415 -0.454 19013 7640 1 14 . 1 1 18 18 TYR N N 18 115.205 115.205 116.282 -1.077 19013 7641 1 14 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.056 -0.190 19013 7642 1 14 . 1 1 18 18 TYR C C 18 173.847 173.847 172.969 0.878 19013 7643 1 14 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.662 -2.497 19013 7644 1 14 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.907 -0.076 19013 7645 1 14 . 1 1 19 19 ARG N N 19 116.814 116.814 118.304 -1.490 19013 7646 1 14 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.714 -0.259 19013 7647 1 14 . 1 1 19 19 ARG C C 19 177.198 177.198 175.558 1.640 19013 7648 1 14 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.116 0.812 19013 7649 1 14 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.477 -2.756 19013 7650 1 14 . 1 1 20 20 GLU N N 20 125.261 125.261 122.445 2.816 19013 7651 1 14 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.180 -0.123 19013 7652 1 14 . 1 1 20 20 GLU C C 20 180.643 180.643 175.349 5.294 19013 7653 1 14 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.386 2.143 19013 7654 1 14 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.417 1.446 19013 7655 1 14 . 1 1 21 21 ALA N N 21 119.760 119.760 126.509 -6.749 19013 7656 1 14 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.280 0.074 19013 7657 1 14 . 1 1 21 21 ALA C C 21 179.291 179.291 176.989 2.302 19013 7658 1 14 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.987 1.692 19013 7659 1 14 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.304 -0.894 19013 7660 1 14 . 1 1 22 22 ILE N N 22 109.751 109.751 117.461 -7.710 19013 7661 1 14 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.450 0.725 19013 7662 1 14 . 1 1 22 22 ILE C C 22 175.636 175.636 176.106 -0.470 19013 7663 1 14 . 1 1 22 22 ILE CA C 22 60.231 60.231 61.215 -0.985 19013 7664 1 14 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.389 1.056 19013 7665 1 14 . 1 1 23 23 THR N N 23 118.763 118.763 119.132 -0.369 19013 7666 1 14 . 1 1 23 23 THR HA H 23 3.375 3.375 3.887 -0.512 19013 7667 1 14 . 1 1 23 23 THR C C 23 175.159 175.159 176.299 -1.140 19013 7668 1 14 . 1 1 23 23 THR CA C 23 68.267 68.267 67.565 0.702 19013 7669 1 14 . 1 1 23 23 THR CB C 23 69.564 69.564 68.284 1.280 19013 7670 1 14 . 1 1 24 24 LYS N N 24 118.723 118.723 119.984 -1.261 19013 7671 1 14 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.089 -0.426 19013 7672 1 14 . 1 1 24 24 LYS C C 24 178.421 178.421 179.451 -1.030 19013 7673 1 14 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.639 1.415 19013 7674 1 14 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.736 0.045 19013 7675 1 14 . 1 1 25 25 GLN N N 25 118.276 118.276 118.670 -0.394 19013 7676 1 14 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.154 -0.111 19013 7677 1 14 . 1 1 25 25 GLN C C 25 179.248 179.248 179.013 0.235 19013 7678 1 14 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.843 0.837 19013 7679 1 14 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.797 -0.552 19013 7680 1 14 . 1 1 26 26 ILE N N 26 122.000 122.000 121.245 0.755 19013 7681 1 14 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.567 0.202 19013 7682 1 14 . 1 1 26 26 ILE C C 26 177.797 177.797 177.467 0.330 19013 7683 1 14 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.807 -1.629 19013 7684 1 14 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.047 -2.456 19013 7685 1 14 . 1 1 27 27 LEU N N 27 119.685 119.685 122.008 -2.323 19013 7686 1 14 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.079 -0.161 19013 7687 1 14 . 1 1 27 27 LEU C C 27 178.173 178.173 178.333 -0.160 19013 7688 1 14 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.063 0.244 19013 7689 1 14 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.208 -0.121 19013 7690 1 14 . 1 1 28 28 ALA N N 28 118.927 118.927 119.578 -0.651 19013 7691 1 14 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.010 -0.148 19013 7692 1 14 . 1 1 28 28 ALA C C 28 179.693 179.693 178.276 1.417 19013 7693 1 14 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.785 0.117 19013 7694 1 14 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.393 -0.277 19013 7695 1 14 . 1 1 29 29 TYR N N 29 119.687 119.687 117.643 2.044 19013 7696 1 14 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.293 -0.371 19013 7697 1 14 . 1 1 29 29 TYR C C 29 178.234 178.234 177.330 0.904 19013 7698 1 14 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.787 0.349 19013 7699 1 14 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.658 -1.282 19013 7700 1 14 . 1 1 30 30 PHE N N 30 115.353 115.353 118.051 -2.698 19013 7701 1 14 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.544 -0.615 19013 7702 1 14 . 1 1 30 30 PHE C C 30 180.031 180.031 176.975 3.056 19013 7703 1 14 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.950 1.865 19013 7704 1 14 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.763 -0.812 19013 7705 1 14 . 1 1 31 31 ALA N N 31 125.929 125.929 123.528 2.401 19013 7706 1 14 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.441 0.021 19013 7707 1 14 . 1 1 31 31 ALA C C 31 178.235 178.235 178.809 -0.574 19013 7708 1 14 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.677 -0.883 19013 7709 1 14 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.149 -0.667 19013 7710 1 14 . 1 1 32 32 GLN N N 32 113.541 113.541 115.902 -2.361 19013 7711 1 14 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.853 0.103 19013 7712 1 14 . 1 1 32 32 GLN C C 32 177.465 177.465 176.912 0.553 19013 7713 1 14 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.792 -0.833 19013 7714 1 14 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.122 0.963 19013 7715 1 14 . 1 1 33 33 PHE N N 33 114.638 114.638 114.482 0.156 19013 7716 1 14 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.464 0.186 19013 7717 1 14 . 1 1 33 33 PHE C C 33 175.848 175.848 175.821 0.027 19013 7718 1 14 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.201 -2.135 19013 7719 1 14 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.209 -3.279 19013 7720 1 14 . 1 1 34 34 GLY N N 34 106.452 106.452 104.912 1.540 19013 7721 1 14 . 1 1 34 34 GLY C C 34 170.428 170.428 172.139 -1.711 19013 7722 1 14 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.731 -1.167 19013 7723 1 14 . 1 1 35 35 GLU N N 35 118.228 118.228 118.797 -0.569 19013 7724 1 14 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.689 -0.523 19013 7725 1 14 . 1 1 35 35 GLU C C 35 175.939 175.939 176.212 -0.273 19013 7726 1 14 . 1 1 35 35 GLU CA C 35 57.385 57.385 54.836 2.549 19013 7727 1 14 . 1 1 35 35 GLU CB C 35 30.115 30.115 31.733 -1.618 19013 7728 1 14 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.228 0.336 19013 7729 1 14 . 1 1 36 36 ILE C C 36 176.530 176.530 175.402 1.128 19013 7730 1 14 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.424 -1.577 19013 7731 1 14 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.181 3.413 19013 7732 1 14 . 1 1 37 37 LEU N N 37 125.464 125.464 114.747 10.717 19013 7733 1 14 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.650 -0.561 19013 7734 1 14 . 1 1 37 37 LEU C C 37 178.470 178.470 176.268 2.202 19013 7735 1 14 . 1 1 37 37 LEU CA C 37 57.114 57.114 52.781 4.333 19013 7736 1 14 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.498 -1.322 19013 7737 1 14 . 1 1 38 38 GLU N N 38 120.405 120.405 119.777 0.628 19013 7738 1 14 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.274 -0.095 19013 7739 1 14 . 1 1 38 38 GLU C C 38 175.620 175.620 176.057 -0.437 19013 7740 1 14 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.286 2.344 19013 7741 1 14 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.685 -1.134 19013 7742 1 14 . 1 1 39 39 ASP N N 39 117.746 117.746 116.805 0.941 19013 7743 1 14 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.391 0.111 19013 7744 1 14 . 1 1 39 39 ASP C C 39 176.811 176.811 176.304 0.507 19013 7745 1 14 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.109 -1.239 19013 7746 1 14 . 1 1 39 39 ASP CB C 39 40.381 40.381 39.779 0.602 19013 7747 1 14 . 1 1 40 40 LEU N N 40 127.180 127.180 121.162 6.018 19013 7748 1 14 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.206 0.104 19013 7749 1 14 . 1 1 40 40 LEU C C 40 177.950 177.950 177.791 0.159 19013 7750 1 14 . 1 1 40 40 LEU CA C 40 55.104 55.104 56.547 -1.443 19013 7751 1 14 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.617 -0.911 19013 7752 1 14 . 1 1 41 41 GLU N N 41 120.599 120.599 117.056 3.543 19013 7753 1 14 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.878 0.052 19013 7754 1 14 . 1 1 41 41 GLU C C 41 178.353 178.353 177.004 1.349 19013 7755 1 14 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.602 0.636 19013 7756 1 14 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.282 1.109 19013 7757 1 14 . 1 1 42 42 SER N N 42 114.356 114.356 118.443 -4.087 19013 7758 1 14 . 1 1 42 42 SER HA H 42 4.209 4.209 4.597 -0.388 19013 7759 1 14 . 1 1 42 42 SER C C 42 175.221 175.221 174.287 0.934 19013 7760 1 14 . 1 1 42 42 SER CA C 42 60.331 60.331 58.156 2.175 19013 7761 1 14 . 1 1 42 42 SER CB C 42 62.849 62.849 62.892 -0.043 19013 7762 1 14 . 1 1 43 43 GLU N N 43 119.711 119.711 125.426 -5.715 19013 7763 1 14 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.092 0.194 19013 7764 1 14 . 1 1 43 43 GLU C C 43 176.893 176.893 177.353 -0.460 19013 7765 1 14 . 1 1 43 43 GLU CA C 43 57.593 57.593 58.705 -1.112 19013 7766 1 14 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.117 0.324 19013 7767 1 14 . 1 1 44 44 LEU N N 44 117.788 117.788 112.129 5.659 19013 7768 1 14 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.632 -0.278 19013 7769 1 14 . 1 1 44 44 LEU C C 44 177.944 177.944 177.153 0.791 19013 7770 1 14 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.204 -0.263 19013 7771 1 14 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.457 -1.082 19013 7772 1 14 . 1 1 45 45 GLY N N 45 108.349 108.349 109.098 -0.749 19013 7773 1 14 . 1 1 45 45 GLY C C 45 173.791 173.791 174.249 -0.458 19013 7774 1 14 . 1 1 45 45 GLY CA C 45 45.637 45.637 46.151 -0.514 19013 7775 1 14 . 1 1 46 46 ASP N N 46 119.869 119.869 120.637 -0.768 19013 7776 1 14 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.589 0.100 19013 7777 1 14 . 1 1 46 46 ASP C C 46 176.628 176.628 176.569 0.059 19013 7778 1 14 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.977 -0.957 19013 7779 1 14 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.416 -0.320 19013 7780 1 14 . 1 1 47 47 THR N N 47 113.962 113.962 113.497 0.465 19013 7781 1 14 . 1 1 47 47 THR HA H 47 4.258 4.258 4.320 -0.062 19013 7782 1 14 . 1 1 47 47 THR C C 47 175.277 175.277 175.342 -0.065 19013 7783 1 14 . 1 1 47 47 THR CA C 47 62.715 62.715 60.960 1.755 19013 7784 1 14 . 1 1 47 47 THR CB C 47 69.504 69.504 67.863 1.641 19013 7785 1 14 . 1 1 48 48 GLU N N 48 121.748 121.748 121.021 0.727 19013 7786 1 14 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.036 0.199 19013 7787 1 14 . 1 1 48 48 GLU C C 48 177.221 177.221 177.367 -0.146 19013 7788 1 14 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.594 -1.089 19013 7789 1 14 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.472 0.246 19013 7790 1 14 . 1 1 49 49 THR N N 49 113.781 113.781 109.004 4.777 19013 7791 1 14 . 1 1 49 49 THR HA H 49 4.160 4.160 4.230 -0.070 19013 7792 1 14 . 1 1 49 49 THR C C 49 174.979 174.979 175.169 -0.190 19013 7793 1 14 . 1 1 49 49 THR CA C 49 62.989 62.989 63.868 -0.879 19013 7794 1 14 . 1 1 49 49 THR CB C 49 69.198 69.198 68.994 0.204 19013 7795 1 14 . 1 1 50 50 MET N N 50 121.133 121.133 122.178 -1.045 19013 7796 1 14 . 1 1 50 50 MET HA H 50 4.295 4.295 4.659 -0.364 19013 7797 1 14 . 1 1 50 50 MET C C 50 175.846 175.846 174.303 1.543 19013 7798 1 14 . 1 1 50 50 MET CA C 50 55.981 55.981 55.261 0.720 19013 7799 1 14 . 1 1 50 50 MET CB C 50 32.549 32.549 33.458 -0.909 19013 7800 1 14 . 1 1 51 51 ARG N N 51 120.641 120.641 127.600 -6.959 19013 7801 1 14 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.777 -0.439 19013 7802 1 14 . 1 1 51 51 ARG C C 51 176.213 176.213 175.092 1.121 19013 7803 1 14 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.517 1.362 19013 7804 1 14 . 1 1 51 51 ARG CB C 51 30.606 30.606 30.189 0.417 19013 7805 1 14 . 1 1 52 52 THR N N 52 116.663 116.663 116.389 0.274 19013 7806 1 14 . 1 1 52 52 THR HA H 52 4.564 4.564 4.358 0.206 19013 7807 1 14 . 1 1 52 52 THR C C 52 172.814 172.814 173.617 -0.803 19013 7808 1 14 . 1 1 52 52 THR CA C 52 59.828 59.828 62.404 -2.576 19013 7809 1 14 . 1 1 52 52 THR CB C 52 69.498 69.498 68.916 0.582 19013 7810 1 14 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.366 -0.026 19013 7811 1 14 . 1 1 53 53 PRO C C 53 177.518 177.518 175.946 1.572 19013 7812 1 14 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.159 0.831 19013 7813 1 14 . 1 1 53 53 PRO CB C 53 31.917 31.917 30.059 1.858 19013 7814 1 14 . 1 1 54 54 GLY N N 54 108.804 108.804 107.640 1.164 19013 7815 1 14 . 1 1 54 54 GLY C C 54 174.121 174.121 172.959 1.162 19013 7816 1 14 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.758 -0.389 19013 7817 1 14 . 1 1 55 55 TYR N N 55 119.872 119.872 118.507 1.365 19013 7818 1 14 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.742 -0.382 19013 7819 1 14 . 1 1 55 55 TYR C C 55 175.550 175.550 174.395 1.155 19013 7820 1 14 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.321 2.188 19013 7821 1 14 . 1 1 55 55 TYR CB C 55 38.907 38.907 41.392 -2.485 19013 7822 1 14 . 1 1 56 56 PHE N N 56 121.248 121.248 118.128 3.120 19013 7823 1 14 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.857 -0.428 19013 7824 1 14 . 1 1 56 56 PHE C C 56 175.354 175.354 176.711 -1.357 19013 7825 1 14 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.378 0.760 19013 7826 1 14 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.233 -0.720 19013 7827 1 14 . 1 1 57 57 PHE N N 57 121.226 121.226 117.560 3.666 19013 7828 1 14 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.861 -0.388 19013 7829 1 14 . 1 1 57 57 PHE C C 57 175.182 175.182 175.485 -0.303 19013 7830 1 14 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.434 1.391 19013 7831 1 14 . 1 1 57 57 PHE CB C 57 39.529 39.529 38.928 0.601 19013 7832 1 14 . 1 1 58 58 GLN N N 58 121.160 121.160 122.360 -1.200 19013 7833 1 14 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.858 0.374 19013 7834 1 14 . 1 1 58 58 GLN C C 58 175.287 175.287 175.620 -0.333 19013 7835 1 14 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.959 -0.553 19013 7836 1 14 . 1 1 58 58 GLN CB C 58 29.477 29.477 27.978 1.499 19013 7837 1 14 . 1 1 59 59 GLN N N 59 120.923 120.923 126.697 -5.774 19013 7838 1 14 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.412 -0.126 19013 7839 1 14 . 1 1 59 59 GLN C C 59 175.318 175.318 175.348 -0.030 19013 7840 1 14 . 1 1 59 59 GLN CA C 59 55.297 55.297 55.230 0.068 19013 7841 1 14 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.261 1.158 19013 7842 1 14 . 1 1 60 60 ALA N N 60 126.737 126.737 128.907 -2.170 19013 7843 1 14 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.637 -0.101 19013 7844 1 14 . 1 1 60 60 ALA C C 60 175.924 175.924 176.360 -0.436 19013 7845 1 14 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.195 1.487 19013 7846 1 14 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.884 -0.711 19013 7847 1 14 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.267 0.137 19013 7848 1 14 . 1 1 61 61 PRO C C 61 176.902 176.902 176.991 -0.089 19013 7849 1 14 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.728 -1.179 19013 7850 1 14 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.983 -0.002 19013 7851 1 14 . 1 1 62 62 ASN N N 62 116.490 116.490 114.362 2.128 19013 7852 1 14 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.775 -0.175 19013 7853 1 14 . 1 1 62 62 ASN C C 62 174.942 174.942 175.172 -0.230 19013 7854 1 14 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.409 -0.110 19013 7855 1 14 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.388 -0.367 19013 7856 1 14 . 1 1 63 63 ARG N N 63 120.117 120.117 119.413 0.704 19013 7857 1 14 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.639 -0.278 19013 7858 1 14 . 1 1 63 63 ARG C C 63 175.853 175.853 174.558 1.295 19013 7859 1 14 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.465 1.089 19013 7860 1 14 . 1 1 63 63 ARG CB C 63 31.085 31.085 33.033 -1.948 19013 7861 1 14 . 1 1 64 64 ARG N N 64 123.061 123.061 121.019 2.042 19013 7862 1 14 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.281 0.019 19013 7863 1 14 . 1 1 64 64 ARG C C 64 175.995 175.995 177.057 -1.062 19013 7864 1 14 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.727 -0.724 19013 7865 1 14 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.499 -0.019 19013 7866 1 14 . 1 1 65 65 ARG N N 65 123.698 123.698 123.549 0.149 19013 7867 1 14 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.219 0.357 19013 7868 1 14 . 1 1 65 65 ARG C C 65 176.085 176.085 177.206 -1.121 19013 7869 1 14 . 1 1 65 65 ARG CA C 65 55.448 55.448 58.311 -2.863 19013 7870 1 14 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.465 0.690 19013 7871 1 14 . 1 1 66 66 ILE N N 66 120.928 120.928 118.127 2.801 19013 7872 1 14 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.243 0.192 19013 7873 1 14 . 1 1 66 66 ILE C C 66 175.488 175.488 176.069 -0.581 19013 7874 1 14 . 1 1 66 66 ILE CA C 66 60.214 60.214 60.227 -0.013 19013 7875 1 14 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.717 0.437 19013 7876 1 14 . 1 1 67 67 SER N N 67 119.534 119.534 119.500 0.034 19013 7877 1 14 . 1 1 67 67 SER HA H 67 4.431 4.431 4.201 0.230 19013 7878 1 14 . 1 1 67 67 SER C C 67 174.034 174.034 173.943 0.091 19013 7879 1 14 . 1 1 67 67 SER CA C 67 58.599 58.599 59.974 -1.375 19013 7880 1 14 . 1 1 67 67 SER CB C 67 63.499 63.499 63.437 0.062 19013 7881 1 14 . 1 1 68 68 ARG N N 68 124.936 124.936 119.762 5.174 19013 7882 1 14 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.559 0.016 19013 7883 1 14 . 1 1 68 68 ARG C C 68 175.967 175.967 175.217 0.750 19013 7884 1 14 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.248 1.206 19013 7885 1 14 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.390 0.083 19013 7886 1 14 . 1 1 69 69 GLU N N 69 136.462 136.462 121.235 15.227 19013 7887 1 14 . 1 1 69 69 GLU HA H 69 4.505 4.505 3.972 0.533 19013 7888 1 14 . 1 1 69 69 GLU C C 69 174.852 174.852 175.611 -0.759 19013 7889 1 14 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.048 0.146 19013 7890 1 14 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.484 -0.683 19013 7891 1 14 . 1 1 70 70 HIS N N 70 120.728 120.728 118.949 1.779 19013 7892 1 14 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.553 -0.817 19013 7893 1 14 . 1 1 70 70 HIS C C 70 171.455 171.455 175.231 -3.776 19013 7894 1 14 . 1 1 70 70 HIS CA C 70 54.574 54.574 55.303 -0.729 19013 7895 1 14 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.339 -0.223 19013 7896 1 14 . 1 1 71 71 GLY N N 71 108.698 108.698 110.356 -1.658 19013 7897 1 14 . 1 1 71 71 GLY C C 71 174.611 174.611 174.054 0.557 19013 7898 1 14 . 1 1 71 71 GLY CA C 71 43.064 43.064 45.099 -2.035 19013 7899 1 14 . 1 1 72 72 ARG N N 72 123.350 123.350 118.324 5.026 19013 7900 1 14 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.448 -0.253 19013 7901 1 14 . 1 1 72 72 ARG C C 72 178.495 178.495 175.334 3.161 19013 7902 1 14 . 1 1 72 72 ARG CA C 72 60.196 60.196 56.475 3.720 19013 7903 1 14 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.781 -0.959 19013 7904 1 14 . 1 1 73 73 THR N N 73 103.467 103.467 110.142 -6.675 19013 7905 1 14 . 1 1 73 73 THR HA H 73 4.196 4.196 4.576 -0.380 19013 7906 1 14 . 1 1 73 73 THR C C 73 171.300 171.300 172.528 -1.228 19013 7907 1 14 . 1 1 73 73 THR CA C 73 59.336 59.336 61.545 -2.209 19013 7908 1 14 . 1 1 73 73 THR CB C 73 69.837 69.837 69.766 0.071 19013 7909 1 14 . 1 1 74 74 TRP N N 74 112.582 112.582 119.817 -7.235 19013 7910 1 14 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.588 0.119 19013 7911 1 14 . 1 1 74 74 TRP C C 74 176.667 176.667 174.161 2.506 19013 7912 1 14 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.748 0.134 19013 7913 1 14 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.160 0.700 19013 7914 1 14 . 1 1 75 75 THR N N 75 114.629 114.629 117.291 -2.662 19013 7915 1 14 . 1 1 75 75 THR HA H 75 4.594 4.594 4.783 -0.189 19013 7916 1 14 . 1 1 75 75 THR C C 75 170.237 170.237 173.292 -3.055 19013 7917 1 14 . 1 1 75 75 THR CA C 75 61.354 61.354 62.027 -0.673 19013 7918 1 14 . 1 1 75 75 THR CB C 75 69.887 69.887 72.587 -2.700 19013 7919 1 14 . 1 1 76 76 LYS N N 76 130.596 130.596 129.225 1.371 19013 7920 1 14 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.132 0.590 19013 7921 1 14 . 1 1 76 76 LYS C C 76 177.934 177.934 175.757 2.177 19013 7922 1 14 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.756 0.284 19013 7923 1 14 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.239 1.931 19013 7924 1 14 . 1 1 77 77 LEU N N 77 128.006 128.006 129.959 -1.953 19013 7925 1 14 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.448 -0.161 19013 7926 1 14 . 1 1 77 77 LEU C C 77 174.557 174.557 175.527 -0.970 19013 7927 1 14 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.239 1.059 19013 7928 1 14 . 1 1 77 77 LEU CB C 77 46.100 46.100 42.853 3.247 19013 7929 1 14 . 1 1 78 78 THR N N 78 123.666 123.666 120.783 2.883 19013 7930 1 14 . 1 1 78 78 THR HA H 78 4.435 4.435 4.881 -0.446 19013 7931 1 14 . 1 1 78 78 THR C C 78 174.067 174.067 174.201 -0.134 19013 7932 1 14 . 1 1 78 78 THR CA C 78 62.500 62.500 61.523 0.977 19013 7933 1 14 . 1 1 78 78 THR CB C 78 67.902 67.902 69.517 -1.615 19013 7934 1 14 . 1 1 79 79 TYR N N 79 125.290 125.290 126.071 -0.781 19013 7935 1 14 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.618 0.334 19013 7936 1 14 . 1 1 79 79 TYR C C 79 176.523 176.523 176.486 0.037 19013 7937 1 14 . 1 1 79 79 TYR CA C 79 59.379 59.379 58.107 1.272 19013 7938 1 14 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.934 0.885 19013 7939 1 14 . 1 1 80 80 ALA N N 80 121.971 121.971 122.329 -0.358 19013 7940 1 14 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.916 0.144 19013 7941 1 14 . 1 1 80 80 ALA C C 80 177.255 177.255 177.672 -0.417 19013 7942 1 14 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.877 0.053 19013 7943 1 14 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.200 1.986 19013 7944 1 14 . 1 1 81 81 ASN N N 81 112.786 112.786 119.256 -6.470 19013 7945 1 14 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.924 0.173 19013 7946 1 14 . 1 1 81 81 ASN C C 81 175.438 175.438 176.725 -1.287 19013 7947 1 14 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.314 -0.826 19013 7948 1 14 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.086 2.344 19013 7949 1 14 . 1 1 82 82 HIS N N 82 123.560 123.560 121.989 1.571 19013 7950 1 14 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.454 -0.167 19013 7951 1 14 . 1 1 82 82 HIS C C 82 176.494 176.494 176.623 -0.129 19013 7952 1 14 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.935 0.156 19013 7953 1 14 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.508 -0.945 19013 7954 1 14 . 1 1 83 83 SER N N 83 114.623 114.623 116.156 -1.533 19013 7955 1 14 . 1 1 83 83 SER HA H 83 4.095 4.095 4.045 0.050 19013 7956 1 14 . 1 1 83 83 SER C C 83 177.619 177.619 176.936 0.683 19013 7957 1 14 . 1 1 83 83 SER CA C 83 61.637 61.637 61.824 -0.187 19013 7958 1 14 . 1 1 83 83 SER CB C 83 61.644 61.644 62.795 -1.151 19013 7959 1 14 . 1 1 84 84 SER N N 84 120.863 120.863 118.555 2.308 19013 7960 1 14 . 1 1 84 84 SER HA H 84 3.935 3.935 4.192 -0.257 19013 7961 1 14 . 1 1 84 84 SER C C 84 173.466 173.466 176.263 -2.797 19013 7962 1 14 . 1 1 84 84 SER CA C 84 62.250 62.250 61.406 0.844 19013 7963 1 14 . 1 1 84 84 SER CB C 84 62.700 62.700 62.914 -0.214 19013 7964 1 14 . 1 1 85 85 TYR N N 85 122.263 122.263 123.970 -1.707 19013 7965 1 14 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.234 -0.465 19013 7966 1 14 . 1 1 85 85 TYR C C 85 175.010 175.010 177.396 -2.386 19013 7967 1 14 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.584 -0.911 19013 7968 1 14 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.496 -0.871 19013 7969 1 14 . 1 1 86 86 LEU N N 86 117.366 117.366 118.376 -1.010 19013 7970 1 14 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.954 -0.417 19013 7971 1 14 . 1 1 86 86 LEU C C 86 179.942 179.942 179.389 0.553 19013 7972 1 14 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.401 -0.132 19013 7973 1 14 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.971 -0.277 19013 7974 1 14 . 1 1 87 87 ARG N N 87 118.578 118.578 119.287 -0.709 19013 7975 1 14 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.954 -0.106 19013 7976 1 14 . 1 1 87 87 ARG C C 87 178.784 178.784 178.034 0.750 19013 7977 1 14 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.315 -0.874 19013 7978 1 14 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.082 -0.141 19013 7979 1 14 . 1 1 88 88 ALA N N 88 123.868 123.868 120.185 3.683 19013 7980 1 14 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.107 -0.564 19013 7981 1 14 . 1 1 88 88 ALA C C 88 179.517 179.517 178.017 1.500 19013 7982 1 14 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.422 1.992 19013 7983 1 14 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.017 0.124 19013 7984 1 14 . 1 1 89 89 LEU N N 89 114.573 114.573 118.791 -4.218 19013 7985 1 14 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.071 -0.147 19013 7986 1 14 . 1 1 89 89 LEU C C 89 180.088 180.088 176.412 3.676 19013 7987 1 14 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.577 2.840 19013 7988 1 14 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.999 -0.113 19013 7989 1 14 . 1 1 90 90 ARG N N 90 116.735 116.735 118.644 -1.909 19013 7990 1 14 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.305 -0.173 19013 7991 1 14 . 1 1 90 90 ARG C C 90 177.429 177.429 176.419 1.010 19013 7992 1 14 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.791 1.008 19013 7993 1 14 . 1 1 90 90 ARG CB C 90 29.834 29.834 28.326 1.508 19013 7994 1 14 . 1 1 91 91 GLU N N 91 115.787 115.787 123.926 -8.139 19013 7995 1 14 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.344 -0.197 19013 7996 1 14 . 1 1 91 91 GLU C C 91 176.303 176.303 175.858 0.445 19013 7997 1 14 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.771 -0.435 19013 7998 1 14 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.857 -1.152 19013 7999 1 14 . 1 1 92 92 HIS N N 92 118.997 118.997 117.619 1.378 19013 8000 1 14 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.424 -0.153 19013 8001 1 14 . 1 1 92 92 HIS C C 92 176.823 176.823 176.239 0.584 19013 8002 1 14 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.826 3.627 19013 8003 1 14 . 1 1 92 92 HIS CB C 92 30.812 30.812 27.601 3.211 19013 8004 1 14 . 1 1 93 93 GLY N N 93 116.944 116.944 115.019 1.925 19013 8005 1 14 . 1 1 93 93 GLY C C 93 174.512 174.512 174.325 0.187 19013 8006 1 14 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.556 -0.580 19013 8007 1 14 . 1 1 94 94 THR N N 94 117.838 117.838 118.080 -0.242 19013 8008 1 14 . 1 1 94 94 THR HA H 94 4.059 4.059 4.267 -0.208 19013 8009 1 14 . 1 1 94 94 THR C C 94 172.656 172.656 173.264 -0.608 19013 8010 1 14 . 1 1 94 94 THR CA C 94 63.330 63.330 63.544 -0.213 19013 8011 1 14 . 1 1 94 94 THR CB C 94 69.936 69.936 67.971 1.966 19013 8012 1 14 . 1 1 95 95 ILE N N 95 124.155 124.155 126.605 -2.450 19013 8013 1 14 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.458 -0.070 19013 8014 1 14 . 1 1 95 95 ILE C C 95 175.534 175.534 175.063 0.471 19013 8015 1 14 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.762 -0.985 19013 8016 1 14 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.315 -3.325 19013 8017 1 14 . 1 1 96 96 TYR N N 96 130.370 130.370 127.732 2.638 19013 8018 1 14 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.767 -0.204 19013 8019 1 14 . 1 1 96 96 TYR C C 96 174.539 174.539 176.112 -1.573 19013 8020 1 14 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.243 -0.787 19013 8021 1 14 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.531 0.196 19013 8022 1 14 . 1 1 97 97 CYS N N 97 123.936 123.936 124.688 -0.752 19013 8023 1 14 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.980 -0.322 19013 8024 1 14 . 1 1 97 97 CYS C C 97 175.798 175.798 174.619 1.179 19013 8025 1 14 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.088 0.733 19013 8026 1 14 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.217 -1.738 19013 8027 1 14 . 1 1 98 98 GLY N N 98 103.268 103.268 107.410 -4.142 19013 8028 1 14 . 1 1 98 98 GLY C C 98 173.270 173.270 173.290 -0.020 19013 8029 1 14 . 1 1 98 98 GLY CA C 98 45.312 45.312 45.100 0.212 19013 8030 1 14 . 1 1 99 99 ALA N N 99 123.511 123.511 124.184 -0.673 19013 8031 1 14 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.798 -0.103 19013 8032 1 14 . 1 1 99 99 ALA C C 99 175.215 175.215 175.614 -0.399 19013 8033 1 14 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.722 0.056 19013 8034 1 14 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.045 0.710 19013 8035 1 14 . 1 1 100 100 ALA N N 100 124.957 124.957 123.328 1.629 19013 8036 1 14 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.176 -0.543 19013 8037 1 14 . 1 1 100 100 ALA C C 100 177.477 177.477 178.030 -0.553 19013 8038 1 14 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.120 0.403 19013 8039 1 14 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.624 -1.455 19013 8040 1 14 . 1 1 101 101 ILE N N 101 121.598 121.598 119.065 2.533 19013 8041 1 14 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.766 -0.311 19013 8042 1 14 . 1 1 101 101 ILE C C 101 175.956 175.956 175.823 0.133 19013 8043 1 14 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.890 0.074 19013 8044 1 14 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.459 1.376 19013 8045 1 14 . 1 1 102 102 GLY N N 102 113.717 113.717 113.445 0.272 19013 8046 1 14 . 1 1 102 102 GLY C C 102 172.857 172.857 172.775 0.082 19013 8047 1 14 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.664 -1.220 19013 8048 1 14 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.055 0.479 19013 8049 1 14 . 1 1 103 103 CYS C C 103 172.624 172.624 173.915 -1.291 19013 8050 1 14 . 1 1 103 103 CYS CA C 103 58.703 58.703 58.141 0.562 19013 8051 1 14 . 1 1 103 103 CYS CB C 103 27.343 27.343 27.750 -0.407 19013 8052 1 14 . 1 1 104 104 VAL N N 104 118.519 118.519 120.733 -2.214 19013 8053 1 14 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.751 0.154 19013 8054 1 14 . 1 1 104 104 VAL C C 104 172.705 172.705 173.393 -0.688 19013 8055 1 14 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.741 -0.328 19013 8056 1 14 . 1 1 104 104 VAL CB C 104 33.103 33.103 32.707 0.396 19013 8057 1 14 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.612 0.003 19013 8058 1 14 . 1 1 105 105 PRO C C 105 176.557 176.557 176.007 0.550 19013 8059 1 14 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.753 0.801 19013 8060 1 14 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.291 0.375 19013 8061 1 14 . 1 1 106 106 TYR N N 106 121.923 121.923 124.970 -3.047 19013 8062 1 14 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.250 -0.420 19013 8063 1 14 . 1 1 106 106 TYR C C 106 174.643 174.643 174.814 -0.171 19013 8064 1 14 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.678 1.340 19013 8065 1 14 . 1 1 106 106 TYR CB C 106 39.387 39.387 37.967 1.421 19013 8066 1 14 . 1 1 107 107 LYS N N 107 124.087 124.087 127.855 -3.768 19013 8067 1 14 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.516 -0.335 19013 8068 1 14 . 1 1 107 107 LYS C C 107 176.443 176.443 176.061 0.382 19013 8069 1 14 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.566 0.210 19013 8070 1 14 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.457 1.468 19013 8071 1 14 . 1 1 108 108 HIS N N 108 124.171 124.171 125.727 -1.556 19013 8072 1 14 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.037 -0.077 19013 8073 1 14 . 1 1 108 108 HIS C C 108 176.998 176.998 177.023 -0.025 19013 8074 1 14 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.632 -1.033 19013 8075 1 14 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.407 -1.859 19013 8076 1 14 . 1 1 109 109 GLU N N 109 118.941 118.941 119.247 -0.306 19013 8077 1 14 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.959 -0.046 19013 8078 1 14 . 1 1 109 109 GLU C C 109 177.738 177.738 178.464 -0.726 19013 8079 1 14 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.192 0.145 19013 8080 1 14 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.254 -0.535 19013 8081 1 14 . 1 1 110 110 LEU N N 110 118.555 118.555 120.596 -2.041 19013 8082 1 14 . 1 1 110 110 LEU HA H 110 4.001 4.001 4.244 -0.243 19013 8083 1 14 . 1 1 110 110 LEU C C 110 177.872 177.872 178.423 -0.551 19013 8084 1 14 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.477 -1.104 19013 8085 1 14 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.535 0.420 19013 8086 1 14 . 1 1 111 111 ILE N N 111 117.129 117.129 117.988 -0.859 19013 8087 1 14 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.243 -0.273 19013 8088 1 14 . 1 1 111 111 ILE C C 111 178.773 178.773 178.411 0.362 19013 8089 1 14 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.630 -0.892 19013 8090 1 14 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.941 -0.523 19013 8091 1 14 . 1 1 112 112 SER N N 112 116.165 116.165 117.455 -1.290 19013 8092 1 14 . 1 1 112 112 SER HA H 112 4.000 4.000 4.042 -0.042 19013 8093 1 14 . 1 1 112 112 SER C C 112 176.313 176.313 176.816 -0.503 19013 8094 1 14 . 1 1 112 112 SER CA C 112 61.433 61.433 61.606 -0.173 19013 8095 1 14 . 1 1 112 112 SER CB C 112 62.188 62.188 63.019 -0.831 19013 8096 1 14 . 1 1 113 113 GLU N N 113 120.732 120.732 122.415 -1.683 19013 8097 1 14 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.898 0.088 19013 8098 1 14 . 1 1 113 113 GLU C C 113 178.799 178.799 179.065 -0.266 19013 8099 1 14 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.447 -0.925 19013 8100 1 14 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.515 -0.133 19013 8101 1 14 . 1 1 114 114 LEU N N 114 119.452 119.452 118.354 1.098 19013 8102 1 14 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.851 -0.128 19013 8103 1 14 . 1 1 114 114 LEU C C 114 179.184 179.184 179.317 -0.133 19013 8104 1 14 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.439 -0.755 19013 8105 1 14 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.367 -1.380 19013 8106 1 14 . 1 1 115 115 SER N N 115 112.708 112.708 114.021 -1.313 19013 8107 1 14 . 1 1 115 115 SER HA H 115 4.615 4.615 4.340 0.275 19013 8108 1 14 . 1 1 115 115 SER C C 115 174.994 174.994 176.197 -1.203 19013 8109 1 14 . 1 1 115 115 SER CA C 115 59.706 59.706 60.866 -1.160 19013 8110 1 14 . 1 1 115 115 SER CB C 115 63.512 63.512 63.410 0.102 19013 8111 1 14 . 1 1 116 116 ARG N N 116 121.600 121.600 120.796 0.804 19013 8112 1 14 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.220 0.021 19013 8113 1 14 . 1 1 116 116 ARG C C 116 176.893 176.893 175.817 1.076 19013 8114 1 14 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.998 0.024 19013 8115 1 14 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.983 -0.820 19013 8116 1 14 . 1 1 117 117 GLU N N 117 120.450 120.450 119.038 1.412 19013 8117 1 14 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.019 0.221 19013 8118 1 14 . 1 1 117 117 GLU C C 117 177.260 177.260 175.946 1.314 19013 8119 1 14 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.084 -0.042 19013 8120 1 14 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.892 1.871 19013 8121 1 14 . 1 1 118 118 GLY N N 118 108.905 108.905 111.851 -2.946 19013 8122 1 14 . 1 1 118 118 GLY C C 118 174.225 174.225 174.164 0.061 19013 8123 1 14 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.789 0.594 19013 8124 1 14 . 1 1 119 119 HIS N N 119 117.625 117.625 119.037 -1.412 19013 8125 1 14 . 1 1 119 119 HIS HA H 119 4.659 4.659 3.821 0.838 19013 8126 1 14 . 1 1 119 119 HIS C C 119 174.439 174.439 173.706 0.733 19013 8127 1 14 . 1 1 119 119 HIS CA C 119 55.413 55.413 58.306 -2.893 19013 8128 1 14 . 1 1 119 119 HIS CB C 119 28.904 28.904 27.857 1.047 19013 8129 1 14 . 1 1 120 120 HIS N N 120 119.015 119.015 119.629 -0.614 19013 8130 1 14 . 1 1 120 120 HIS HA H 120 4.672 4.672 5.092 -0.420 19013 8131 1 14 . 1 1 120 120 HIS C C 120 174.259 174.259 174.235 0.024 19013 8132 1 14 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.161 0.160 19013 8133 1 14 . 1 1 120 120 HIS CB C 120 29.098 29.098 31.595 -2.497 19013 8134 1 14 . 1 1 121 121 HIS N N 121 119.872 119.872 123.976 -4.104 19013 8135 1 14 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.289 0.391 19013 8136 1 14 . 1 1 121 121 HIS C C 121 174.245 174.245 174.345 -0.100 19013 8137 1 14 . 1 1 121 121 HIS CA C 121 55.389 55.389 56.903 -1.514 19013 8138 1 14 . 1 1 121 121 HIS CB C 121 29.259 29.259 30.808 -1.549 19013 8139 1 14 . 1 1 122 122 HIS N N 122 120.597 120.597 116.932 3.665 19013 8140 1 14 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.747 -0.060 19013 8141 1 14 . 1 1 122 122 HIS C C 122 174.101 174.101 175.016 -0.915 19013 8142 1 14 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.753 -0.367 19013 8143 1 14 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.798 -1.449 19013 8144 1 14 . 1 1 123 123 HIS N N 123 120.680 120.680 122.118 -1.438 19013 8145 1 14 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.185 0.471 19013 8146 1 14 . 1 1 123 123 HIS C C 123 173.591 173.591 174.567 -0.976 19013 8147 1 14 . 1 1 123 123 HIS CA C 123 55.563 55.563 58.255 -2.692 19013 8148 1 14 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.392 0.064 19013 8149 1 15 . 1 1 2 2 SER HA H 2 4.167 4.167 4.495 -0.328 19013 8150 1 15 . 1 1 2 2 SER C C 2 170.960 170.960 176.245 -5.285 19013 8151 1 15 . 1 1 2 2 SER CA C 2 57.139 57.139 59.123 -1.984 19013 8152 1 15 . 1 1 2 2 SER CB C 2 63.027 63.027 63.438 -0.411 19013 8153 1 15 . 1 1 3 3 LEU N N 3 123.102 123.102 122.819 0.283 19013 8154 1 15 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.159 0.256 19013 8155 1 15 . 1 1 3 3 LEU C C 3 177.886 177.886 176.950 0.936 19013 8156 1 15 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.556 0.069 19013 8157 1 15 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.343 -0.009 19013 8158 1 15 . 1 1 4 4 GLY N N 4 110.546 110.546 105.697 4.849 19013 8159 1 15 . 1 1 4 4 GLY C C 4 174.473 174.473 173.022 1.451 19013 8160 1 15 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.157 1.113 19013 8161 1 15 . 1 1 5 5 SER N N 5 115.839 115.839 115.831 0.008 19013 8162 1 15 . 1 1 5 5 SER HA H 5 4.472 4.472 4.657 -0.185 19013 8163 1 15 . 1 1 5 5 SER C C 5 175.085 175.085 175.532 -0.447 19013 8164 1 15 . 1 1 5 5 SER CA C 5 58.419 58.419 57.971 0.448 19013 8165 1 15 . 1 1 5 5 SER CB C 5 63.648 63.648 63.934 -0.287 19013 8166 1 15 . 1 1 6 6 GLU N N 6 122.855 122.855 125.064 -2.209 19013 8167 1 15 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.184 0.156 19013 8168 1 15 . 1 1 6 6 GLU C C 6 176.767 176.767 176.693 0.074 19013 8169 1 15 . 1 1 6 6 GLU CA C 6 57.020 57.020 58.431 -1.411 19013 8170 1 15 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.109 0.676 19013 8171 1 15 . 1 1 7 7 SER N N 7 116.046 116.046 114.261 1.785 19013 8172 1 15 . 1 1 7 7 SER HA H 7 4.444 4.444 4.393 0.051 19013 8173 1 15 . 1 1 7 7 SER C C 7 174.946 174.946 173.496 1.450 19013 8174 1 15 . 1 1 7 7 SER CA C 7 58.587 58.587 57.971 0.616 19013 8175 1 15 . 1 1 7 7 SER CB C 7 63.645 63.645 62.947 0.698 19013 8176 1 15 . 1 1 8 8 GLU N N 8 122.758 122.758 118.594 4.164 19013 8177 1 15 . 1 1 8 8 GLU HA H 8 4.372 4.372 3.997 0.375 19013 8178 1 15 . 1 1 8 8 GLU C C 8 176.929 176.929 175.420 1.509 19013 8179 1 15 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.487 -0.585 19013 8180 1 15 . 1 1 8 8 GLU CB C 8 29.837 29.837 27.895 1.942 19013 8181 1 15 . 1 1 9 9 THR N N 9 113.221 113.221 112.798 0.423 19013 8182 1 15 . 1 1 9 9 THR HA H 9 4.295 4.295 4.351 -0.056 19013 8183 1 15 . 1 1 9 9 THR C C 9 175.371 175.371 175.691 -0.320 19013 8184 1 15 . 1 1 9 9 THR CA C 9 62.279 62.279 62.388 -0.109 19013 8185 1 15 . 1 1 9 9 THR CB C 9 69.828 69.828 67.564 2.264 19013 8186 1 15 . 1 1 10 10 GLY N N 10 110.774 110.774 111.502 -0.728 19013 8187 1 15 . 1 1 10 10 GLY C C 10 173.283 173.283 174.224 -0.941 19013 8188 1 15 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.806 -0.075 19013 8189 1 15 . 1 1 11 11 ASN N N 11 116.215 116.215 117.959 -1.744 19013 8190 1 15 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.876 -0.609 19013 8191 1 15 . 1 1 11 11 ASN C C 11 174.352 174.352 173.522 0.830 19013 8192 1 15 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.562 -0.095 19013 8193 1 15 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.930 0.553 19013 8194 1 15 . 1 1 12 12 ALA N N 12 121.979 121.979 121.263 0.716 19013 8195 1 15 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.584 0.401 19013 8196 1 15 . 1 1 12 12 ALA C C 12 177.325 177.325 175.365 1.960 19013 8197 1 15 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.605 -0.068 19013 8198 1 15 . 1 1 12 12 ALA CB C 12 21.830 21.830 22.559 -0.729 19013 8199 1 15 . 1 1 13 13 VAL N N 13 116.191 116.191 116.721 -0.530 19013 8200 1 15 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.228 0.098 19013 8201 1 15 . 1 1 13 13 VAL C C 13 175.275 175.275 173.835 1.440 19013 8202 1 15 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.374 -0.612 19013 8203 1 15 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.627 -0.466 19013 8204 1 15 . 1 1 14 14 VAL N N 14 119.334 119.334 121.906 -2.572 19013 8205 1 15 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.896 0.342 19013 8206 1 15 . 1 1 14 14 VAL C C 14 174.716 174.716 175.407 -0.691 19013 8207 1 15 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.202 0.094 19013 8208 1 15 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.695 1.685 19013 8209 1 15 . 1 1 15 15 VAL N N 15 127.812 127.812 127.865 -0.053 19013 8210 1 15 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.100 0.208 19013 8211 1 15 . 1 1 15 15 VAL C C 15 176.256 176.256 175.490 0.766 19013 8212 1 15 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.433 -0.278 19013 8213 1 15 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.196 1.105 19013 8214 1 15 . 1 1 16 16 PHE N N 16 122.243 122.243 121.289 0.954 19013 8215 1 15 . 1 1 16 16 PHE HA H 16 5.919 5.919 4.983 0.936 19013 8216 1 15 . 1 1 16 16 PHE C C 16 174.623 174.623 174.469 0.154 19013 8217 1 15 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.344 0.791 19013 8218 1 15 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.784 0.309 19013 8219 1 15 . 1 1 17 17 GLY N N 17 106.894 106.894 105.766 1.128 19013 8220 1 15 . 1 1 17 17 GLY C C 17 174.023 174.023 173.699 0.324 19013 8221 1 15 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.339 -0.378 19013 8222 1 15 . 1 1 18 18 TYR N N 18 115.205 115.205 117.895 -2.690 19013 8223 1 15 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.146 -0.280 19013 8224 1 15 . 1 1 18 18 TYR C C 18 173.847 173.847 173.585 0.262 19013 8225 1 15 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.477 -2.312 19013 8226 1 15 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.690 0.141 19013 8227 1 15 . 1 1 19 19 ARG N N 19 116.814 116.814 117.848 -1.034 19013 8228 1 15 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.768 -0.313 19013 8229 1 15 . 1 1 19 19 ARG C C 19 177.198 177.198 175.860 1.338 19013 8230 1 15 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.297 0.631 19013 8231 1 15 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.510 -2.789 19013 8232 1 15 . 1 1 20 20 GLU N N 20 125.261 125.261 122.314 2.947 19013 8233 1 15 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.264 -0.207 19013 8234 1 15 . 1 1 20 20 GLU C C 20 180.643 180.643 175.278 5.365 19013 8235 1 15 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.182 2.347 19013 8236 1 15 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.555 1.308 19013 8237 1 15 . 1 1 21 21 ALA N N 21 119.760 119.760 127.321 -7.561 19013 8238 1 15 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.392 -0.038 19013 8239 1 15 . 1 1 21 21 ALA C C 21 179.291 179.291 177.772 1.519 19013 8240 1 15 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.906 1.774 19013 8241 1 15 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.277 -0.867 19013 8242 1 15 . 1 1 22 22 ILE N N 22 109.751 109.751 117.073 -7.322 19013 8243 1 15 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.441 0.734 19013 8244 1 15 . 1 1 22 22 ILE C C 22 175.636 175.636 176.019 -0.383 19013 8245 1 15 . 1 1 22 22 ILE CA C 22 60.231 60.231 61.489 -1.258 19013 8246 1 15 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.774 1.671 19013 8247 1 15 . 1 1 23 23 THR N N 23 118.763 118.763 119.154 -0.391 19013 8248 1 15 . 1 1 23 23 THR HA H 23 3.375 3.375 3.840 -0.465 19013 8249 1 15 . 1 1 23 23 THR C C 23 175.159 175.159 176.353 -1.194 19013 8250 1 15 . 1 1 23 23 THR CA C 23 68.267 68.267 67.162 1.105 19013 8251 1 15 . 1 1 23 23 THR CB C 23 69.564 69.564 68.374 1.190 19013 8252 1 15 . 1 1 24 24 LYS N N 24 118.723 118.723 119.365 -0.642 19013 8253 1 15 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.032 -0.369 19013 8254 1 15 . 1 1 24 24 LYS C C 24 178.421 178.421 179.168 -0.747 19013 8255 1 15 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.081 1.973 19013 8256 1 15 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.897 -0.116 19013 8257 1 15 . 1 1 25 25 GLN N N 25 118.276 118.276 118.850 -0.574 19013 8258 1 15 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.214 -0.171 19013 8259 1 15 . 1 1 25 25 GLN C C 25 179.248 179.248 179.180 0.068 19013 8260 1 15 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.560 1.120 19013 8261 1 15 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.988 -0.744 19013 8262 1 15 . 1 1 26 26 ILE N N 26 122.000 122.000 121.572 0.428 19013 8263 1 15 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.447 0.322 19013 8264 1 15 . 1 1 26 26 ILE C C 26 177.797 177.797 177.371 0.426 19013 8265 1 15 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.882 -1.704 19013 8266 1 15 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.068 -2.477 19013 8267 1 15 . 1 1 27 27 LEU N N 27 119.685 119.685 121.855 -2.170 19013 8268 1 15 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.059 -0.141 19013 8269 1 15 . 1 1 27 27 LEU C C 27 178.173 178.173 178.326 -0.153 19013 8270 1 15 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.309 -0.002 19013 8271 1 15 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.123 -0.036 19013 8272 1 15 . 1 1 28 28 ALA N N 28 118.927 118.927 119.415 -0.488 19013 8273 1 15 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.246 -0.384 19013 8274 1 15 . 1 1 28 28 ALA C C 28 179.693 179.693 178.543 1.150 19013 8275 1 15 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.566 0.335 19013 8276 1 15 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.188 -0.072 19013 8277 1 15 . 1 1 29 29 TYR N N 29 119.687 119.687 117.584 2.103 19013 8278 1 15 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.309 -0.387 19013 8279 1 15 . 1 1 29 29 TYR C C 29 178.234 178.234 177.276 0.958 19013 8280 1 15 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.721 0.415 19013 8281 1 15 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.479 -1.103 19013 8282 1 15 . 1 1 30 30 PHE N N 30 115.353 115.353 118.007 -2.654 19013 8283 1 15 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.509 -0.580 19013 8284 1 15 . 1 1 30 30 PHE C C 30 180.031 180.031 177.214 2.817 19013 8285 1 15 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.794 2.021 19013 8286 1 15 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.709 -0.758 19013 8287 1 15 . 1 1 31 31 ALA N N 31 125.929 125.929 122.867 3.062 19013 8288 1 15 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.381 0.081 19013 8289 1 15 . 1 1 31 31 ALA C C 31 178.235 178.235 178.272 -0.037 19013 8290 1 15 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.228 -0.434 19013 8291 1 15 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.034 -0.552 19013 8292 1 15 . 1 1 32 32 GLN N N 32 113.541 113.541 116.402 -2.861 19013 8293 1 15 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.927 0.029 19013 8294 1 15 . 1 1 32 32 GLN C C 32 177.465 177.465 177.427 0.038 19013 8295 1 15 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.111 -1.152 19013 8296 1 15 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.478 0.607 19013 8297 1 15 . 1 1 33 33 PHE N N 33 114.638 114.638 116.815 -2.177 19013 8298 1 15 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.413 0.237 19013 8299 1 15 . 1 1 33 33 PHE C C 33 175.848 175.848 176.129 -0.281 19013 8300 1 15 . 1 1 33 33 PHE CA C 33 57.066 57.066 60.231 -3.165 19013 8301 1 15 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.521 -2.591 19013 8302 1 15 . 1 1 34 34 GLY N N 34 106.452 106.452 103.541 2.911 19013 8303 1 15 . 1 1 34 34 GLY C C 34 170.428 170.428 172.388 -1.960 19013 8304 1 15 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.118 -0.554 19013 8305 1 15 . 1 1 35 35 GLU N N 35 118.228 118.228 120.089 -1.861 19013 8306 1 15 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.244 -0.078 19013 8307 1 15 . 1 1 35 35 GLU C C 35 175.939 175.939 175.985 -0.046 19013 8308 1 15 . 1 1 35 35 GLU CA C 35 57.385 57.385 57.394 -0.009 19013 8309 1 15 . 1 1 35 35 GLU CB C 35 30.115 30.115 29.506 0.609 19013 8310 1 15 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.113 0.451 19013 8311 1 15 . 1 1 36 36 ILE C C 36 176.530 176.530 175.988 0.542 19013 8312 1 15 . 1 1 36 36 ILE CA C 36 59.847 59.847 62.026 -2.179 19013 8313 1 15 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.442 3.152 19013 8314 1 15 . 1 1 37 37 LEU N N 37 125.464 125.464 117.703 7.761 19013 8315 1 15 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.305 -0.216 19013 8316 1 15 . 1 1 37 37 LEU C C 37 178.470 178.470 177.671 0.799 19013 8317 1 15 . 1 1 37 37 LEU CA C 37 57.114 57.114 52.934 4.180 19013 8318 1 15 . 1 1 37 37 LEU CB C 37 42.176 42.176 43.492 -1.315 19013 8319 1 15 . 1 1 38 38 GLU N N 38 120.405 120.405 119.755 0.650 19013 8320 1 15 . 1 1 38 38 GLU HA H 38 4.179 4.179 3.983 0.196 19013 8321 1 15 . 1 1 38 38 GLU C C 38 175.620 175.620 176.577 -0.957 19013 8322 1 15 . 1 1 38 38 GLU CA C 38 58.630 58.630 59.145 -0.515 19013 8323 1 15 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.053 -0.502 19013 8324 1 15 . 1 1 39 39 ASP N N 39 117.746 117.746 119.431 -1.685 19013 8325 1 15 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.577 -0.075 19013 8326 1 15 . 1 1 39 39 ASP C C 39 176.811 176.811 174.384 2.427 19013 8327 1 15 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.766 -1.896 19013 8328 1 15 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.694 -1.313 19013 8329 1 15 . 1 1 40 40 LEU N N 40 127.180 127.180 122.919 4.261 19013 8330 1 15 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.448 -0.138 19013 8331 1 15 . 1 1 40 40 LEU C C 40 177.950 177.950 174.729 3.221 19013 8332 1 15 . 1 1 40 40 LEU CA C 40 55.104 55.104 54.984 0.120 19013 8333 1 15 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.919 -2.213 19013 8334 1 15 . 1 1 41 41 GLU N N 41 120.599 120.599 124.037 -3.438 19013 8335 1 15 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.392 -0.462 19013 8336 1 15 . 1 1 41 41 GLU C C 41 178.353 178.353 175.869 2.484 19013 8337 1 15 . 1 1 41 41 GLU CA C 41 59.238 59.238 57.083 2.155 19013 8338 1 15 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.743 -1.352 19013 8339 1 15 . 1 1 42 42 SER N N 42 114.356 114.356 114.048 0.308 19013 8340 1 15 . 1 1 42 42 SER HA H 42 4.209 4.209 4.739 -0.530 19013 8341 1 15 . 1 1 42 42 SER C C 42 175.221 175.221 174.094 1.127 19013 8342 1 15 . 1 1 42 42 SER CA C 42 60.331 60.331 57.244 3.087 19013 8343 1 15 . 1 1 42 42 SER CB C 42 62.849 62.849 63.788 -0.940 19013 8344 1 15 . 1 1 43 43 GLU N N 43 119.711 119.711 127.273 -7.562 19013 8345 1 15 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.323 -0.037 19013 8346 1 15 . 1 1 43 43 GLU C C 43 176.893 176.893 177.351 -0.458 19013 8347 1 15 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.479 0.114 19013 8348 1 15 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.246 1.195 19013 8349 1 15 . 1 1 44 44 LEU N N 44 117.788 117.788 119.648 -1.860 19013 8350 1 15 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.488 -0.134 19013 8351 1 15 . 1 1 44 44 LEU C C 44 177.944 177.944 177.187 0.757 19013 8352 1 15 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.738 0.203 19013 8353 1 15 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.660 -1.285 19013 8354 1 15 . 1 1 45 45 GLY N N 45 108.349 108.349 108.525 -0.176 19013 8355 1 15 . 1 1 45 45 GLY C C 45 173.791 173.791 174.094 -0.303 19013 8356 1 15 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.733 0.904 19013 8357 1 15 . 1 1 46 46 ASP N N 46 119.869 119.869 119.824 0.045 19013 8358 1 15 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.298 0.391 19013 8359 1 15 . 1 1 46 46 ASP C C 46 176.628 176.628 176.169 0.459 19013 8360 1 15 . 1 1 46 46 ASP CA C 46 54.021 54.021 55.725 -1.704 19013 8361 1 15 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.638 0.458 19013 8362 1 15 . 1 1 47 47 THR N N 47 113.962 113.962 111.773 2.189 19013 8363 1 15 . 1 1 47 47 THR HA H 47 4.258 4.258 4.380 -0.122 19013 8364 1 15 . 1 1 47 47 THR C C 47 175.277 175.277 175.247 0.030 19013 8365 1 15 . 1 1 47 47 THR CA C 47 62.715 62.715 62.387 0.328 19013 8366 1 15 . 1 1 47 47 THR CB C 47 69.504 69.504 69.097 0.408 19013 8367 1 15 . 1 1 48 48 GLU N N 48 121.748 121.748 122.109 -0.361 19013 8368 1 15 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.183 0.052 19013 8369 1 15 . 1 1 48 48 GLU C C 48 177.221 177.221 177.503 -0.282 19013 8370 1 15 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.421 -1.916 19013 8371 1 15 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.762 -0.044 19013 8372 1 15 . 1 1 49 49 THR N N 49 113.781 113.781 112.015 1.766 19013 8373 1 15 . 1 1 49 49 THR HA H 49 4.160 4.160 4.500 -0.340 19013 8374 1 15 . 1 1 49 49 THR C C 49 174.979 174.979 175.217 -0.238 19013 8375 1 15 . 1 1 49 49 THR CA C 49 62.989 62.989 63.898 -0.909 19013 8376 1 15 . 1 1 49 49 THR CB C 49 69.198 69.198 68.847 0.351 19013 8377 1 15 . 1 1 50 50 MET N N 50 121.133 121.133 118.785 2.348 19013 8378 1 15 . 1 1 50 50 MET HA H 50 4.295 4.295 4.281 0.014 19013 8379 1 15 . 1 1 50 50 MET C C 50 175.846 175.846 175.754 0.092 19013 8380 1 15 . 1 1 50 50 MET CA C 50 55.981 55.981 57.468 -1.487 19013 8381 1 15 . 1 1 50 50 MET CB C 50 32.549 32.549 33.221 -0.672 19013 8382 1 15 . 1 1 51 51 ARG N N 51 120.641 120.641 116.642 3.999 19013 8383 1 15 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.650 -0.312 19013 8384 1 15 . 1 1 51 51 ARG C C 51 176.213 176.213 175.986 0.227 19013 8385 1 15 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.872 1.007 19013 8386 1 15 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.390 -0.784 19013 8387 1 15 . 1 1 52 52 THR N N 52 116.663 116.663 111.977 4.686 19013 8388 1 15 . 1 1 52 52 THR HA H 52 4.564 4.564 4.125 0.439 19013 8389 1 15 . 1 1 52 52 THR C C 52 172.814 172.814 173.080 -0.266 19013 8390 1 15 . 1 1 52 52 THR CA C 52 59.828 59.828 61.974 -2.146 19013 8391 1 15 . 1 1 52 52 THR CB C 52 69.498 69.498 68.022 1.476 19013 8392 1 15 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.419 -0.079 19013 8393 1 15 . 1 1 53 53 PRO C C 53 177.518 177.518 178.147 -0.629 19013 8394 1 15 . 1 1 53 53 PRO CA C 53 63.990 63.990 62.898 1.092 19013 8395 1 15 . 1 1 53 53 PRO CB C 53 31.917 31.917 32.231 -0.314 19013 8396 1 15 . 1 1 54 54 GLY N N 54 108.804 108.804 106.142 2.662 19013 8397 1 15 . 1 1 54 54 GLY C C 54 174.121 174.121 172.786 1.335 19013 8398 1 15 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.844 0.525 19013 8399 1 15 . 1 1 55 55 TYR N N 55 119.872 119.872 119.834 0.038 19013 8400 1 15 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.476 -0.116 19013 8401 1 15 . 1 1 55 55 TYR C C 55 175.550 175.550 174.286 1.264 19013 8402 1 15 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.587 1.921 19013 8403 1 15 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.715 -0.808 19013 8404 1 15 . 1 1 56 56 PHE N N 56 121.248 121.248 122.085 -0.837 19013 8405 1 15 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.869 -0.440 19013 8406 1 15 . 1 1 56 56 PHE C C 56 175.354 175.354 176.785 -1.431 19013 8407 1 15 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.760 1.378 19013 8408 1 15 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.700 -0.187 19013 8409 1 15 . 1 1 57 57 PHE N N 57 121.226 121.226 123.124 -1.898 19013 8410 1 15 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.457 0.016 19013 8411 1 15 . 1 1 57 57 PHE C C 57 175.182 175.182 175.722 -0.540 19013 8412 1 15 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.494 -0.668 19013 8413 1 15 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.465 0.064 19013 8414 1 15 . 1 1 58 58 GLN N N 58 121.160 121.160 117.827 3.333 19013 8415 1 15 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.585 0.647 19013 8416 1 15 . 1 1 58 58 GLN C C 58 175.287 175.287 174.302 0.985 19013 8417 1 15 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.334 0.072 19013 8418 1 15 . 1 1 58 58 GLN CB C 58 29.477 29.477 28.727 0.750 19013 8419 1 15 . 1 1 59 59 GLN N N 59 120.923 120.923 124.997 -4.074 19013 8420 1 15 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.420 -0.134 19013 8421 1 15 . 1 1 59 59 GLN C C 59 175.318 175.318 174.792 0.526 19013 8422 1 15 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.495 -1.198 19013 8423 1 15 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.954 0.465 19013 8424 1 15 . 1 1 60 60 ALA N N 60 126.737 126.737 130.632 -3.895 19013 8425 1 15 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.804 -0.268 19013 8426 1 15 . 1 1 60 60 ALA C C 60 175.924 175.924 175.959 -0.035 19013 8427 1 15 . 1 1 60 60 ALA CA C 60 50.682 50.682 48.683 1.999 19013 8428 1 15 . 1 1 60 60 ALA CB C 60 18.173 18.173 19.490 -1.317 19013 8429 1 15 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.470 -0.066 19013 8430 1 15 . 1 1 61 61 PRO C C 61 176.902 176.902 176.381 0.521 19013 8431 1 15 . 1 1 61 61 PRO CA C 61 63.549 63.549 63.736 -0.187 19013 8432 1 15 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.056 -0.075 19013 8433 1 15 . 1 1 62 62 ASN N N 62 116.490 116.490 114.958 1.532 19013 8434 1 15 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.628 -0.028 19013 8435 1 15 . 1 1 62 62 ASN C C 62 174.942 174.942 175.170 -0.228 19013 8436 1 15 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.520 -0.222 19013 8437 1 15 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.171 -0.150 19013 8438 1 15 . 1 1 63 63 ARG N N 63 120.117 120.117 119.594 0.523 19013 8439 1 15 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.600 -0.239 19013 8440 1 15 . 1 1 63 63 ARG C C 63 175.853 175.853 174.655 1.198 19013 8441 1 15 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.566 0.989 19013 8442 1 15 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.807 -1.722 19013 8443 1 15 . 1 1 64 64 ARG N N 64 123.061 123.061 120.948 2.113 19013 8444 1 15 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.472 -0.172 19013 8445 1 15 . 1 1 64 64 ARG C C 64 175.995 175.995 176.479 -0.484 19013 8446 1 15 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.445 -0.442 19013 8447 1 15 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.517 -0.037 19013 8448 1 15 . 1 1 65 65 ARG N N 65 123.698 123.698 122.688 1.010 19013 8449 1 15 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.291 0.285 19013 8450 1 15 . 1 1 65 65 ARG C C 65 176.085 176.085 176.983 -0.898 19013 8451 1 15 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.886 -2.438 19013 8452 1 15 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.840 0.315 19013 8453 1 15 . 1 1 66 66 ILE N N 66 120.928 120.928 119.633 1.295 19013 8454 1 15 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.219 0.216 19013 8455 1 15 . 1 1 66 66 ILE C C 66 175.488 175.488 175.993 -0.505 19013 8456 1 15 . 1 1 66 66 ILE CA C 66 60.214 60.214 61.094 -0.881 19013 8457 1 15 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.874 1.280 19013 8458 1 15 . 1 1 67 67 SER N N 67 119.534 119.534 123.074 -3.540 19013 8459 1 15 . 1 1 67 67 SER HA H 67 4.431 4.431 4.556 -0.125 19013 8460 1 15 . 1 1 67 67 SER C C 67 174.034 174.034 174.182 -0.148 19013 8461 1 15 . 1 1 67 67 SER CA C 67 58.599 58.599 58.144 0.455 19013 8462 1 15 . 1 1 67 67 SER CB C 67 63.499 63.499 63.224 0.275 19013 8463 1 15 . 1 1 68 68 ARG N N 68 124.936 124.936 121.465 3.471 19013 8464 1 15 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.490 0.085 19013 8465 1 15 . 1 1 68 68 ARG C C 68 175.967 175.967 174.209 1.758 19013 8466 1 15 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.556 -0.102 19013 8467 1 15 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.017 0.455 19013 8468 1 15 . 1 1 69 69 GLU N N 69 136.462 136.462 124.867 11.595 19013 8469 1 15 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.285 0.220 19013 8470 1 15 . 1 1 69 69 GLU C C 69 174.852 174.852 174.645 0.207 19013 8471 1 15 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.010 0.184 19013 8472 1 15 . 1 1 69 69 GLU CB C 69 29.801 29.801 31.027 -1.226 19013 8473 1 15 . 1 1 70 70 HIS N N 70 120.728 120.728 115.480 5.248 19013 8474 1 15 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.866 -1.130 19013 8475 1 15 . 1 1 70 70 HIS C C 70 171.455 171.455 173.190 -1.735 19013 8476 1 15 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.171 0.403 19013 8477 1 15 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.310 -1.194 19013 8478 1 15 . 1 1 71 71 GLY N N 71 108.698 108.698 107.308 1.390 19013 8479 1 15 . 1 1 71 71 GLY C C 71 174.611 174.611 173.441 1.170 19013 8480 1 15 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.022 0.042 19013 8481 1 15 . 1 1 72 72 ARG N N 72 123.350 123.350 116.960 6.390 19013 8482 1 15 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.302 -0.107 19013 8483 1 15 . 1 1 72 72 ARG C C 72 178.495 178.495 176.107 2.388 19013 8484 1 15 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.545 2.651 19013 8485 1 15 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.270 -0.448 19013 8486 1 15 . 1 1 73 73 THR N N 73 103.467 103.467 107.704 -4.237 19013 8487 1 15 . 1 1 73 73 THR HA H 73 4.196 4.196 4.641 -0.445 19013 8488 1 15 . 1 1 73 73 THR C C 73 171.300 171.300 172.551 -1.251 19013 8489 1 15 . 1 1 73 73 THR CA C 73 59.336 59.336 61.934 -2.598 19013 8490 1 15 . 1 1 73 73 THR CB C 73 69.837 69.837 70.353 -0.516 19013 8491 1 15 . 1 1 74 74 TRP N N 74 112.582 112.582 119.394 -6.812 19013 8492 1 15 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.488 0.219 19013 8493 1 15 . 1 1 74 74 TRP C C 74 176.667 176.667 173.834 2.833 19013 8494 1 15 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.901 -0.019 19013 8495 1 15 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.863 0.997 19013 8496 1 15 . 1 1 75 75 THR N N 75 114.629 114.629 117.777 -3.148 19013 8497 1 15 . 1 1 75 75 THR HA H 75 4.594 4.594 4.666 -0.072 19013 8498 1 15 . 1 1 75 75 THR C C 75 170.237 170.237 172.971 -2.734 19013 8499 1 15 . 1 1 75 75 THR CA C 75 61.354 61.354 61.746 -0.392 19013 8500 1 15 . 1 1 75 75 THR CB C 75 69.887 69.887 71.820 -1.933 19013 8501 1 15 . 1 1 76 76 LYS N N 76 130.596 130.596 128.987 1.609 19013 8502 1 15 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.113 0.609 19013 8503 1 15 . 1 1 76 76 LYS C C 76 177.934 177.934 175.642 2.292 19013 8504 1 15 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.762 0.278 19013 8505 1 15 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.477 1.693 19013 8506 1 15 . 1 1 77 77 LEU N N 77 128.006 128.006 129.966 -1.960 19013 8507 1 15 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.549 -0.262 19013 8508 1 15 . 1 1 77 77 LEU C C 77 174.557 174.557 175.094 -0.537 19013 8509 1 15 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.694 1.605 19013 8510 1 15 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.164 1.936 19013 8511 1 15 . 1 1 78 78 THR N N 78 123.666 123.666 120.262 3.404 19013 8512 1 15 . 1 1 78 78 THR HA H 78 4.435 4.435 4.825 -0.390 19013 8513 1 15 . 1 1 78 78 THR C C 78 174.067 174.067 174.134 -0.067 19013 8514 1 15 . 1 1 78 78 THR CA C 78 62.500 62.500 61.517 0.983 19013 8515 1 15 . 1 1 78 78 THR CB C 78 67.902 67.902 69.842 -1.940 19013 8516 1 15 . 1 1 79 79 TYR N N 79 125.290 125.290 124.882 0.408 19013 8517 1 15 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.617 0.335 19013 8518 1 15 . 1 1 79 79 TYR C C 79 176.523 176.523 177.269 -0.746 19013 8519 1 15 . 1 1 79 79 TYR CA C 79 59.379 59.379 58.194 1.185 19013 8520 1 15 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.935 0.884 19013 8521 1 15 . 1 1 80 80 ALA N N 80 121.971 121.971 122.443 -0.472 19013 8522 1 15 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.863 0.197 19013 8523 1 15 . 1 1 80 80 ALA C C 80 177.255 177.255 176.876 0.379 19013 8524 1 15 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.870 0.060 19013 8525 1 15 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.142 2.045 19013 8526 1 15 . 1 1 81 81 ASN N N 81 112.786 112.786 118.473 -5.687 19013 8527 1 15 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.980 0.117 19013 8528 1 15 . 1 1 81 81 ASN C C 81 175.438 175.438 175.549 -0.111 19013 8529 1 15 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.234 -0.746 19013 8530 1 15 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.723 1.707 19013 8531 1 15 . 1 1 82 82 HIS N N 82 123.560 123.560 121.275 2.285 19013 8532 1 15 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.576 -0.289 19013 8533 1 15 . 1 1 82 82 HIS C C 82 176.494 176.494 176.166 0.328 19013 8534 1 15 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.380 0.711 19013 8535 1 15 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.859 -1.296 19013 8536 1 15 . 1 1 83 83 SER N N 83 114.623 114.623 115.924 -1.301 19013 8537 1 15 . 1 1 83 83 SER HA H 83 4.095 4.095 4.074 0.021 19013 8538 1 15 . 1 1 83 83 SER C C 83 177.619 177.619 176.765 0.854 19013 8539 1 15 . 1 1 83 83 SER CA C 83 61.637 61.637 61.602 0.035 19013 8540 1 15 . 1 1 83 83 SER CB C 83 61.644 61.644 62.583 -0.939 19013 8541 1 15 . 1 1 84 84 SER N N 84 120.863 120.863 117.044 3.819 19013 8542 1 15 . 1 1 84 84 SER HA H 84 3.935 3.935 4.361 -0.426 19013 8543 1 15 . 1 1 84 84 SER C C 84 173.466 173.466 175.747 -2.281 19013 8544 1 15 . 1 1 84 84 SER CA C 84 62.250 62.250 60.792 1.458 19013 8545 1 15 . 1 1 84 84 SER CB C 84 62.700 62.700 63.167 -0.467 19013 8546 1 15 . 1 1 85 85 TYR N N 85 122.263 122.263 123.763 -1.500 19013 8547 1 15 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.152 -0.383 19013 8548 1 15 . 1 1 85 85 TYR C C 85 175.010 175.010 177.124 -2.114 19013 8549 1 15 . 1 1 85 85 TYR CA C 85 60.673 60.673 62.089 -1.416 19013 8550 1 15 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.474 -0.849 19013 8551 1 15 . 1 1 86 86 LEU N N 86 117.366 117.366 117.731 -0.365 19013 8552 1 15 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.966 -0.429 19013 8553 1 15 . 1 1 86 86 LEU C C 86 179.942 179.942 178.337 1.605 19013 8554 1 15 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.108 0.161 19013 8555 1 15 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.968 0.726 19013 8556 1 15 . 1 1 87 87 ARG N N 87 118.578 118.578 117.781 0.797 19013 8557 1 15 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.127 -0.279 19013 8558 1 15 . 1 1 87 87 ARG C C 87 178.784 178.784 179.109 -0.325 19013 8559 1 15 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.820 -1.379 19013 8560 1 15 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.653 -1.712 19013 8561 1 15 . 1 1 88 88 ALA N N 88 123.868 123.868 121.417 2.451 19013 8562 1 15 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.108 -0.565 19013 8563 1 15 . 1 1 88 88 ALA C C 88 179.517 179.517 178.521 0.996 19013 8564 1 15 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.873 1.540 19013 8565 1 15 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.178 -0.036 19013 8566 1 15 . 1 1 89 89 LEU N N 89 114.573 114.573 119.672 -5.099 19013 8567 1 15 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.197 -0.273 19013 8568 1 15 . 1 1 89 89 LEU C C 89 180.088 180.088 175.898 4.190 19013 8569 1 15 . 1 1 89 89 LEU CA C 89 57.417 57.417 53.739 3.678 19013 8570 1 15 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.989 -0.103 19013 8571 1 15 . 1 1 90 90 ARG N N 90 116.735 116.735 119.510 -2.775 19013 8572 1 15 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.231 -0.099 19013 8573 1 15 . 1 1 90 90 ARG C C 90 177.429 177.429 176.692 0.737 19013 8574 1 15 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.836 0.963 19013 8575 1 15 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.886 -0.052 19013 8576 1 15 . 1 1 91 91 GLU N N 91 115.787 115.787 122.155 -6.368 19013 8577 1 15 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.382 -0.235 19013 8578 1 15 . 1 1 91 91 GLU C C 91 176.303 176.303 175.879 0.424 19013 8579 1 15 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.561 -0.225 19013 8580 1 15 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.163 -0.458 19013 8581 1 15 . 1 1 92 92 HIS N N 92 118.997 118.997 120.176 -1.179 19013 8582 1 15 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.498 -0.227 19013 8583 1 15 . 1 1 92 92 HIS C C 92 176.823 176.823 175.612 1.211 19013 8584 1 15 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.435 3.018 19013 8585 1 15 . 1 1 92 92 HIS CB C 92 30.812 30.812 28.003 2.809 19013 8586 1 15 . 1 1 93 93 GLY N N 93 116.944 116.944 113.492 3.452 19013 8587 1 15 . 1 1 93 93 GLY C C 93 174.512 174.512 174.811 -0.299 19013 8588 1 15 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.474 -0.498 19013 8589 1 15 . 1 1 94 94 THR N N 94 117.838 117.838 118.177 -0.339 19013 8590 1 15 . 1 1 94 94 THR HA H 94 4.059 4.059 4.289 -0.230 19013 8591 1 15 . 1 1 94 94 THR C C 94 172.656 172.656 173.201 -0.545 19013 8592 1 15 . 1 1 94 94 THR CA C 94 63.330 63.330 63.120 0.210 19013 8593 1 15 . 1 1 94 94 THR CB C 94 69.936 69.936 68.143 1.793 19013 8594 1 15 . 1 1 95 95 ILE N N 95 124.155 124.155 126.569 -2.414 19013 8595 1 15 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.395 -0.007 19013 8596 1 15 . 1 1 95 95 ILE C C 95 175.534 175.534 174.778 0.756 19013 8597 1 15 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.554 -0.777 19013 8598 1 15 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.632 -3.642 19013 8599 1 15 . 1 1 96 96 TYR N N 96 130.370 130.370 128.100 2.270 19013 8600 1 15 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.774 -0.211 19013 8601 1 15 . 1 1 96 96 TYR C C 96 174.539 174.539 175.820 -1.281 19013 8602 1 15 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.987 -0.531 19013 8603 1 15 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.000 -0.273 19013 8604 1 15 . 1 1 97 97 CYS N N 97 123.936 123.936 126.394 -2.458 19013 8605 1 15 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.066 -0.408 19013 8606 1 15 . 1 1 97 97 CYS C C 97 175.798 175.798 174.984 0.814 19013 8607 1 15 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.385 0.436 19013 8608 1 15 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.438 -0.959 19013 8609 1 15 . 1 1 98 98 GLY N N 98 103.268 103.268 106.259 -2.991 19013 8610 1 15 . 1 1 98 98 GLY C C 98 173.270 173.270 173.034 0.236 19013 8611 1 15 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.800 0.512 19013 8612 1 15 . 1 1 99 99 ALA N N 99 123.511 123.511 123.494 0.017 19013 8613 1 15 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.712 -0.017 19013 8614 1 15 . 1 1 99 99 ALA C C 99 175.215 175.215 175.675 -0.460 19013 8615 1 15 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.808 -0.030 19013 8616 1 15 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.526 0.229 19013 8617 1 15 . 1 1 100 100 ALA N N 100 124.957 124.957 125.131 -0.174 19013 8618 1 15 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.338 -0.705 19013 8619 1 15 . 1 1 100 100 ALA C C 100 177.477 177.477 177.779 -0.302 19013 8620 1 15 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.564 -0.041 19013 8621 1 15 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.443 -1.274 19013 8622 1 15 . 1 1 101 101 ILE N N 101 121.598 121.598 118.615 2.983 19013 8623 1 15 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.389 0.066 19013 8624 1 15 . 1 1 101 101 ILE C C 101 175.956 175.956 175.257 0.699 19013 8625 1 15 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.904 0.060 19013 8626 1 15 . 1 1 101 101 ILE CB C 101 39.835 39.835 39.054 0.781 19013 8627 1 15 . 1 1 102 102 GLY N N 102 113.717 113.717 110.761 2.956 19013 8628 1 15 . 1 1 102 102 GLY C C 102 172.857 172.857 172.231 0.626 19013 8629 1 15 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.507 -1.063 19013 8630 1 15 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.723 -0.189 19013 8631 1 15 . 1 1 103 103 CYS C C 103 172.624 172.624 173.806 -1.182 19013 8632 1 15 . 1 1 103 103 CYS CA C 103 58.703 58.703 55.692 3.011 19013 8633 1 15 . 1 1 103 103 CYS CB C 103 27.343 27.343 31.031 -3.688 19013 8634 1 15 . 1 1 104 104 VAL N N 104 118.519 118.519 118.636 -0.117 19013 8635 1 15 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.725 0.180 19013 8636 1 15 . 1 1 104 104 VAL C C 104 172.705 172.705 173.774 -1.069 19013 8637 1 15 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.271 -0.858 19013 8638 1 15 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.724 -0.621 19013 8639 1 15 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.753 -0.138 19013 8640 1 15 . 1 1 105 105 PRO C C 105 176.557 176.557 176.367 0.190 19013 8641 1 15 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.526 1.028 19013 8642 1 15 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.748 -0.082 19013 8643 1 15 . 1 1 106 106 TYR N N 106 121.923 121.923 122.227 -0.304 19013 8644 1 15 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.243 -0.413 19013 8645 1 15 . 1 1 106 106 TYR C C 106 174.643 174.643 174.783 -0.140 19013 8646 1 15 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.381 1.637 19013 8647 1 15 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.004 1.383 19013 8648 1 15 . 1 1 107 107 LYS N N 107 124.087 124.087 128.709 -4.622 19013 8649 1 15 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.451 -0.270 19013 8650 1 15 . 1 1 107 107 LYS C C 107 176.443 176.443 176.406 0.037 19013 8651 1 15 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.543 0.234 19013 8652 1 15 . 1 1 107 107 LYS CB C 107 35.925 35.925 33.335 2.590 19013 8653 1 15 . 1 1 108 108 HIS N N 108 124.171 124.171 127.720 -3.549 19013 8654 1 15 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.996 -0.036 19013 8655 1 15 . 1 1 108 108 HIS C C 108 176.998 176.998 176.382 0.616 19013 8656 1 15 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.738 -1.139 19013 8657 1 15 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.378 -1.830 19013 8658 1 15 . 1 1 109 109 GLU N N 109 118.941 118.941 118.908 0.033 19013 8659 1 15 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.038 -0.125 19013 8660 1 15 . 1 1 109 109 GLU C C 109 177.738 177.738 178.650 -0.912 19013 8661 1 15 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.692 0.645 19013 8662 1 15 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.633 0.086 19013 8663 1 15 . 1 1 110 110 LEU N N 110 118.555 118.555 120.143 -1.588 19013 8664 1 15 . 1 1 110 110 LEU HA H 110 4.001 4.001 4.087 -0.086 19013 8665 1 15 . 1 1 110 110 LEU C C 110 177.872 177.872 178.248 -0.376 19013 8666 1 15 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.313 -0.940 19013 8667 1 15 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.622 0.333 19013 8668 1 15 . 1 1 111 111 ILE N N 111 117.129 117.129 118.150 -1.021 19013 8669 1 15 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.177 -0.207 19013 8670 1 15 . 1 1 111 111 ILE C C 111 178.773 178.773 178.390 0.383 19013 8671 1 15 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.620 -0.882 19013 8672 1 15 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.907 -0.490 19013 8673 1 15 . 1 1 112 112 SER N N 112 116.165 116.165 116.722 -0.557 19013 8674 1 15 . 1 1 112 112 SER HA H 112 4.000 4.000 4.099 -0.099 19013 8675 1 15 . 1 1 112 112 SER C C 112 176.313 176.313 175.835 0.478 19013 8676 1 15 . 1 1 112 112 SER CA C 112 61.433 61.433 61.167 0.266 19013 8677 1 15 . 1 1 112 112 SER CB C 112 62.188 62.188 63.123 -0.935 19013 8678 1 15 . 1 1 113 113 GLU N N 113 120.732 120.732 120.730 0.002 19013 8679 1 15 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.918 0.068 19013 8680 1 15 . 1 1 113 113 GLU C C 113 178.799 178.799 179.229 -0.430 19013 8681 1 15 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.868 -0.347 19013 8682 1 15 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.691 -0.309 19013 8683 1 15 . 1 1 114 114 LEU N N 114 119.452 119.452 119.778 -0.326 19013 8684 1 15 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.920 -0.197 19013 8685 1 15 . 1 1 114 114 LEU C C 114 179.184 179.184 178.848 0.336 19013 8686 1 15 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.394 -0.710 19013 8687 1 15 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.693 -1.706 19013 8688 1 15 . 1 1 115 115 SER N N 115 112.708 112.708 112.187 0.521 19013 8689 1 15 . 1 1 115 115 SER HA H 115 4.615 4.615 4.316 0.299 19013 8690 1 15 . 1 1 115 115 SER C C 115 174.994 174.994 175.126 -0.132 19013 8691 1 15 . 1 1 115 115 SER CA C 115 59.706 59.706 59.891 -0.184 19013 8692 1 15 . 1 1 115 115 SER CB C 115 63.512 63.512 62.906 0.606 19013 8693 1 15 . 1 1 116 116 ARG N N 116 121.600 121.600 119.496 2.104 19013 8694 1 15 . 1 1 116 116 ARG HA H 116 4.241 4.241 3.729 0.512 19013 8695 1 15 . 1 1 116 116 ARG C C 116 176.893 176.893 176.438 0.455 19013 8696 1 15 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.336 -0.314 19013 8697 1 15 . 1 1 116 116 ARG CB C 116 30.163 30.163 29.637 0.525 19013 8698 1 15 . 1 1 117 117 GLU N N 117 120.450 120.450 121.340 -0.890 19013 8699 1 15 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.000 0.240 19013 8700 1 15 . 1 1 117 117 GLU C C 117 177.260 177.260 176.521 0.739 19013 8701 1 15 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.535 0.507 19013 8702 1 15 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.924 1.839 19013 8703 1 15 . 1 1 118 118 GLY N N 118 108.905 108.905 112.843 -3.938 19013 8704 1 15 . 1 1 118 118 GLY C C 118 174.225 174.225 174.340 -0.115 19013 8705 1 15 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.694 0.689 19013 8706 1 15 . 1 1 119 119 HIS N N 119 117.625 117.625 115.571 2.054 19013 8707 1 15 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.081 0.578 19013 8708 1 15 . 1 1 119 119 HIS C C 119 174.439 174.439 174.600 -0.161 19013 8709 1 15 . 1 1 119 119 HIS CA C 119 55.413 55.413 56.843 -1.431 19013 8710 1 15 . 1 1 119 119 HIS CB C 119 28.904 28.904 27.513 1.391 19013 8711 1 15 . 1 1 120 120 HIS N N 120 119.015 119.015 120.580 -1.565 19013 8712 1 15 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.455 0.217 19013 8713 1 15 . 1 1 120 120 HIS C C 120 174.259 174.259 175.607 -1.348 19013 8714 1 15 . 1 1 120 120 HIS CA C 120 55.321 55.321 57.610 -2.289 19013 8715 1 15 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.699 -0.601 19013 8716 1 15 . 1 1 121 121 HIS N N 121 119.872 119.872 123.380 -3.508 19013 8717 1 15 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.245 0.435 19013 8718 1 15 . 1 1 121 121 HIS C C 121 174.245 174.245 174.038 0.207 19013 8719 1 15 . 1 1 121 121 HIS CA C 121 55.389 55.389 57.048 -1.659 19013 8720 1 15 . 1 1 121 121 HIS CB C 121 29.259 29.259 28.772 0.487 19013 8721 1 15 . 1 1 122 122 HIS N N 122 120.597 120.597 117.975 2.622 19013 8722 1 15 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.406 0.281 19013 8723 1 15 . 1 1 122 122 HIS C C 122 174.101 174.101 174.478 -0.377 19013 8724 1 15 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.558 -1.172 19013 8725 1 15 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.418 -1.069 19013 8726 1 15 . 1 1 123 123 HIS N N 123 120.680 120.680 118.996 1.684 19013 8727 1 15 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.524 0.132 19013 8728 1 15 . 1 1 123 123 HIS C C 123 173.591 173.591 174.170 -0.579 19013 8729 1 15 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.381 0.182 19013 8730 1 15 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.834 -0.378 19013 8731 1 16 . 1 1 2 2 SER HA H 2 4.167 4.167 4.734 -0.567 19013 8732 1 16 . 1 1 2 2 SER C C 2 170.960 170.960 173.536 -2.576 19013 8733 1 16 . 1 1 2 2 SER CA C 2 57.139 57.139 58.204 -1.065 19013 8734 1 16 . 1 1 2 2 SER CB C 2 63.027 63.027 62.968 0.059 19013 8735 1 16 . 1 1 3 3 LEU N N 3 123.102 123.102 127.060 -3.958 19013 8736 1 16 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.627 -0.212 19013 8737 1 16 . 1 1 3 3 LEU C C 3 177.886 177.886 177.617 0.269 19013 8738 1 16 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.056 0.569 19013 8739 1 16 . 1 1 3 3 LEU CB C 3 42.334 42.334 43.304 -0.971 19013 8740 1 16 . 1 1 4 4 GLY N N 4 110.546 110.546 113.156 -2.610 19013 8741 1 16 . 1 1 4 4 GLY C C 4 174.473 174.473 173.577 0.896 19013 8742 1 16 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.088 0.182 19013 8743 1 16 . 1 1 5 5 SER N N 5 115.839 115.839 112.401 3.438 19013 8744 1 16 . 1 1 5 5 SER HA H 5 4.472 4.472 4.187 0.285 19013 8745 1 16 . 1 1 5 5 SER C C 5 175.085 175.085 174.403 0.682 19013 8746 1 16 . 1 1 5 5 SER CA C 5 58.419 58.419 58.727 -0.308 19013 8747 1 16 . 1 1 5 5 SER CB C 5 63.648 63.648 63.626 0.022 19013 8748 1 16 . 1 1 6 6 GLU N N 6 122.855 122.855 121.806 1.049 19013 8749 1 16 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.437 -0.097 19013 8750 1 16 . 1 1 6 6 GLU C C 6 176.767 176.767 176.058 0.709 19013 8751 1 16 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.103 0.917 19013 8752 1 16 . 1 1 6 6 GLU CB C 6 29.785 29.785 27.906 1.879 19013 8753 1 16 . 1 1 7 7 SER N N 7 116.046 116.046 114.699 1.347 19013 8754 1 16 . 1 1 7 7 SER HA H 7 4.444 4.444 4.683 -0.239 19013 8755 1 16 . 1 1 7 7 SER C C 7 174.946 174.946 174.769 0.177 19013 8756 1 16 . 1 1 7 7 SER CA C 7 58.587 58.587 57.623 0.964 19013 8757 1 16 . 1 1 7 7 SER CB C 7 63.645 63.645 65.075 -1.430 19013 8758 1 16 . 1 1 8 8 GLU N N 8 122.758 122.758 119.831 2.927 19013 8759 1 16 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.096 0.276 19013 8760 1 16 . 1 1 8 8 GLU C C 8 176.929 176.929 175.158 1.771 19013 8761 1 16 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.263 -0.361 19013 8762 1 16 . 1 1 8 8 GLU CB C 8 29.837 29.837 28.416 1.421 19013 8763 1 16 . 1 1 9 9 THR N N 9 113.221 113.221 106.836 6.385 19013 8764 1 16 . 1 1 9 9 THR HA H 9 4.295 4.295 4.057 0.238 19013 8765 1 16 . 1 1 9 9 THR C C 9 175.371 175.371 175.241 0.130 19013 8766 1 16 . 1 1 9 9 THR CA C 9 62.279 62.279 62.688 -0.409 19013 8767 1 16 . 1 1 9 9 THR CB C 9 69.828 69.828 68.032 1.796 19013 8768 1 16 . 1 1 10 10 GLY N N 10 110.774 110.774 109.181 1.593 19013 8769 1 16 . 1 1 10 10 GLY C C 10 173.283 173.283 175.055 -1.772 19013 8770 1 16 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.921 -0.190 19013 8771 1 16 . 1 1 11 11 ASN N N 11 116.215 116.215 119.683 -3.468 19013 8772 1 16 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.377 -0.110 19013 8773 1 16 . 1 1 11 11 ASN C C 11 174.352 174.352 175.276 -0.924 19013 8774 1 16 . 1 1 11 11 ASN CA C 11 52.467 52.467 54.980 -2.513 19013 8775 1 16 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.534 0.949 19013 8776 1 16 . 1 1 12 12 ALA N N 12 121.979 121.979 121.171 0.808 19013 8777 1 16 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.053 0.932 19013 8778 1 16 . 1 1 12 12 ALA C C 12 177.325 177.325 176.446 0.879 19013 8779 1 16 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.020 -0.484 19013 8780 1 16 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.115 1.715 19013 8781 1 16 . 1 1 13 13 VAL N N 13 116.191 116.191 119.589 -3.398 19013 8782 1 16 . 1 1 13 13 VAL HA H 13 5.326 5.326 4.980 0.346 19013 8783 1 16 . 1 1 13 13 VAL C C 13 175.275 175.275 174.580 0.695 19013 8784 1 16 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.962 -1.200 19013 8785 1 16 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.090 0.071 19013 8786 1 16 . 1 1 14 14 VAL N N 14 119.334 119.334 122.882 -3.548 19013 8787 1 16 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.683 0.555 19013 8788 1 16 . 1 1 14 14 VAL C C 14 174.716 174.716 175.385 -0.669 19013 8789 1 16 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.321 -0.025 19013 8790 1 16 . 1 1 14 14 VAL CB C 14 34.380 34.380 31.823 2.557 19013 8791 1 16 . 1 1 15 15 VAL N N 15 127.812 127.812 128.824 -1.012 19013 8792 1 16 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.854 0.454 19013 8793 1 16 . 1 1 15 15 VAL C C 15 176.256 176.256 175.583 0.673 19013 8794 1 16 . 1 1 15 15 VAL CA C 15 60.155 60.155 61.058 -0.903 19013 8795 1 16 . 1 1 15 15 VAL CB C 15 33.301 33.301 31.617 1.684 19013 8796 1 16 . 1 1 16 16 PHE N N 16 122.243 122.243 121.574 0.669 19013 8797 1 16 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.873 0.046 19013 8798 1 16 . 1 1 16 16 PHE C C 16 174.623 174.623 175.139 -0.516 19013 8799 1 16 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.101 1.034 19013 8800 1 16 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.288 -0.196 19013 8801 1 16 . 1 1 17 17 GLY N N 17 106.894 106.894 107.208 -0.314 19013 8802 1 16 . 1 1 17 17 GLY C C 17 174.023 174.023 173.716 0.307 19013 8803 1 16 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.295 -0.334 19013 8804 1 16 . 1 1 18 18 TYR N N 18 115.205 115.205 118.734 -3.529 19013 8805 1 16 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.934 -0.068 19013 8806 1 16 . 1 1 18 18 TYR C C 18 173.847 173.847 173.429 0.418 19013 8807 1 16 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.818 -2.653 19013 8808 1 16 . 1 1 18 18 TYR CB C 18 39.831 39.831 40.141 -0.310 19013 8809 1 16 . 1 1 19 19 ARG N N 19 116.814 116.814 117.843 -1.029 19013 8810 1 16 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.532 -0.077 19013 8811 1 16 . 1 1 19 19 ARG C C 19 177.198 177.198 175.988 1.210 19013 8812 1 16 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.476 0.452 19013 8813 1 16 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.106 -2.385 19013 8814 1 16 . 1 1 20 20 GLU N N 20 125.261 125.261 123.026 2.235 19013 8815 1 16 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.316 -0.259 19013 8816 1 16 . 1 1 20 20 GLU C C 20 180.643 180.643 175.466 5.177 19013 8817 1 16 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.181 2.348 19013 8818 1 16 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.018 1.845 19013 8819 1 16 . 1 1 21 21 ALA N N 21 119.760 119.760 123.540 -3.780 19013 8820 1 16 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.514 -0.160 19013 8821 1 16 . 1 1 21 21 ALA C C 21 179.291 179.291 177.187 2.104 19013 8822 1 16 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.585 2.095 19013 8823 1 16 . 1 1 21 21 ALA CB C 21 19.410 19.410 20.733 -1.323 19013 8824 1 16 . 1 1 22 22 ILE N N 22 109.751 109.751 113.268 -3.517 19013 8825 1 16 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.649 0.526 19013 8826 1 16 . 1 1 22 22 ILE C C 22 175.636 175.636 175.712 -0.076 19013 8827 1 16 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.630 -0.400 19013 8828 1 16 . 1 1 22 22 ILE CB C 22 38.445 38.445 38.885 -0.440 19013 8829 1 16 . 1 1 23 23 THR N N 23 118.763 118.763 118.168 0.595 19013 8830 1 16 . 1 1 23 23 THR HA H 23 3.375 3.375 3.968 -0.593 19013 8831 1 16 . 1 1 23 23 THR C C 23 175.159 175.159 176.373 -1.214 19013 8832 1 16 . 1 1 23 23 THR CA C 23 68.267 68.267 67.066 1.201 19013 8833 1 16 . 1 1 23 23 THR CB C 23 69.564 69.564 68.482 1.082 19013 8834 1 16 . 1 1 24 24 LYS N N 24 118.723 118.723 116.940 1.783 19013 8835 1 16 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.096 -0.433 19013 8836 1 16 . 1 1 24 24 LYS C C 24 178.421 178.421 177.368 1.053 19013 8837 1 16 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.263 2.791 19013 8838 1 16 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.006 0.775 19013 8839 1 16 . 1 1 25 25 GLN N N 25 118.276 118.276 117.230 1.046 19013 8840 1 16 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.395 -0.352 19013 8841 1 16 . 1 1 25 25 GLN C C 25 179.248 179.248 178.133 1.115 19013 8842 1 16 . 1 1 25 25 GLN CA C 25 59.680 59.680 56.805 2.875 19013 8843 1 16 . 1 1 25 25 GLN CB C 25 28.245 28.245 29.731 -1.486 19013 8844 1 16 . 1 1 26 26 ILE N N 26 122.000 122.000 121.433 0.567 19013 8845 1 16 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.430 0.339 19013 8846 1 16 . 1 1 26 26 ILE C C 26 177.797 177.797 177.526 0.271 19013 8847 1 16 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.999 -1.821 19013 8848 1 16 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.050 -2.459 19013 8849 1 16 . 1 1 27 27 LEU N N 27 119.685 119.685 121.442 -1.757 19013 8850 1 16 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.094 -0.176 19013 8851 1 16 . 1 1 27 27 LEU C C 27 178.173 178.173 178.113 0.060 19013 8852 1 16 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.858 0.449 19013 8853 1 16 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.648 -0.561 19013 8854 1 16 . 1 1 28 28 ALA N N 28 118.927 118.927 120.230 -1.303 19013 8855 1 16 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.040 -0.178 19013 8856 1 16 . 1 1 28 28 ALA C C 28 179.693 179.693 178.567 1.126 19013 8857 1 16 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.766 0.136 19013 8858 1 16 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.082 0.034 19013 8859 1 16 . 1 1 29 29 TYR N N 29 119.687 119.687 117.173 2.514 19013 8860 1 16 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.312 -0.390 19013 8861 1 16 . 1 1 29 29 TYR C C 29 178.234 178.234 177.418 0.816 19013 8862 1 16 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.678 0.458 19013 8863 1 16 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.981 -1.605 19013 8864 1 16 . 1 1 30 30 PHE N N 30 115.353 115.353 118.536 -3.183 19013 8865 1 16 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.586 -0.657 19013 8866 1 16 . 1 1 30 30 PHE C C 30 180.031 180.031 176.790 3.241 19013 8867 1 16 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.852 1.963 19013 8868 1 16 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.758 -0.807 19013 8869 1 16 . 1 1 31 31 ALA N N 31 125.929 125.929 122.623 3.306 19013 8870 1 16 . 1 1 31 31 ALA HA H 31 4.462 4.462 3.998 0.464 19013 8871 1 16 . 1 1 31 31 ALA C C 31 178.235 178.235 178.716 -0.481 19013 8872 1 16 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.987 -1.193 19013 8873 1 16 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.054 -0.572 19013 8874 1 16 . 1 1 32 32 GLN N N 32 113.541 113.541 118.609 -5.068 19013 8875 1 16 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.079 -0.123 19013 8876 1 16 . 1 1 32 32 GLN C C 32 177.465 177.465 177.941 -0.476 19013 8877 1 16 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.358 -1.399 19013 8878 1 16 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.241 0.845 19013 8879 1 16 . 1 1 33 33 PHE N N 33 114.638 114.638 117.057 -2.419 19013 8880 1 16 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.570 0.080 19013 8881 1 16 . 1 1 33 33 PHE C C 33 175.848 175.848 176.395 -0.547 19013 8882 1 16 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.617 -2.551 19013 8883 1 16 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.950 -3.020 19013 8884 1 16 . 1 1 34 34 GLY N N 34 106.452 106.452 106.048 0.404 19013 8885 1 16 . 1 1 34 34 GLY C C 34 170.428 170.428 172.382 -1.954 19013 8886 1 16 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.209 -0.645 19013 8887 1 16 . 1 1 35 35 GLU N N 35 118.228 118.228 120.161 -1.933 19013 8888 1 16 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.334 -0.168 19013 8889 1 16 . 1 1 35 35 GLU C C 35 175.939 175.939 176.424 -0.485 19013 8890 1 16 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.603 0.782 19013 8891 1 16 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.175 -0.060 19013 8892 1 16 . 1 1 36 36 ILE HA H 36 4.564 4.564 3.872 0.692 19013 8893 1 16 . 1 1 36 36 ILE C C 36 176.530 176.530 175.503 1.027 19013 8894 1 16 . 1 1 36 36 ILE CA C 36 59.847 59.847 62.200 -2.353 19013 8895 1 16 . 1 1 36 36 ILE CB C 36 41.594 41.594 38.385 3.209 19013 8896 1 16 . 1 1 37 37 LEU N N 37 125.464 125.464 116.260 9.204 19013 8897 1 16 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.318 -0.229 19013 8898 1 16 . 1 1 37 37 LEU C C 37 178.470 178.470 176.894 1.576 19013 8899 1 16 . 1 1 37 37 LEU CA C 37 57.114 57.114 53.453 3.661 19013 8900 1 16 . 1 1 37 37 LEU CB C 37 42.176 42.176 44.247 -2.071 19013 8901 1 16 . 1 1 38 38 GLU N N 38 120.405 120.405 119.051 1.354 19013 8902 1 16 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.092 0.087 19013 8903 1 16 . 1 1 38 38 GLU C C 38 175.620 175.620 176.569 -0.949 19013 8904 1 16 . 1 1 38 38 GLU CA C 38 58.630 58.630 57.845 0.785 19013 8905 1 16 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.269 -0.718 19013 8906 1 16 . 1 1 39 39 ASP N N 39 117.746 117.746 118.687 -0.941 19013 8907 1 16 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.519 -0.017 19013 8908 1 16 . 1 1 39 39 ASP C C 39 176.811 176.811 175.149 1.662 19013 8909 1 16 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.096 -1.226 19013 8910 1 16 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.649 -1.268 19013 8911 1 16 . 1 1 40 40 LEU N N 40 127.180 127.180 124.872 2.308 19013 8912 1 16 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.554 -0.244 19013 8913 1 16 . 1 1 40 40 LEU C C 40 177.950 177.950 175.249 2.701 19013 8914 1 16 . 1 1 40 40 LEU CA C 40 55.104 55.104 54.959 0.145 19013 8915 1 16 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.872 -2.166 19013 8916 1 16 . 1 1 41 41 GLU N N 41 120.599 120.599 126.769 -6.170 19013 8917 1 16 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.202 -0.272 19013 8918 1 16 . 1 1 41 41 GLU C C 41 178.353 178.353 176.299 2.054 19013 8919 1 16 . 1 1 41 41 GLU CA C 41 59.238 59.238 57.573 1.665 19013 8920 1 16 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.364 -0.973 19013 8921 1 16 . 1 1 42 42 SER N N 42 114.356 114.356 115.114 -0.758 19013 8922 1 16 . 1 1 42 42 SER HA H 42 4.209 4.209 4.408 -0.199 19013 8923 1 16 . 1 1 42 42 SER C C 42 175.221 175.221 173.664 1.557 19013 8924 1 16 . 1 1 42 42 SER CA C 42 60.331 60.331 58.539 1.792 19013 8925 1 16 . 1 1 42 42 SER CB C 42 62.849 62.849 63.895 -1.046 19013 8926 1 16 . 1 1 43 43 GLU N N 43 119.711 119.711 119.437 0.274 19013 8927 1 16 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.046 0.240 19013 8928 1 16 . 1 1 43 43 GLU C C 43 176.893 176.893 175.609 1.284 19013 8929 1 16 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.543 1.050 19013 8930 1 16 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.076 1.365 19013 8931 1 16 . 1 1 44 44 LEU N N 44 117.788 117.788 119.041 -1.253 19013 8932 1 16 . 1 1 44 44 LEU HA H 44 4.354 4.354 3.836 0.518 19013 8933 1 16 . 1 1 44 44 LEU C C 44 177.944 177.944 177.247 0.697 19013 8934 1 16 . 1 1 44 44 LEU CA C 44 54.941 54.941 56.231 -1.290 19013 8935 1 16 . 1 1 44 44 LEU CB C 44 42.375 42.375 40.403 1.972 19013 8936 1 16 . 1 1 45 45 GLY N N 45 108.349 108.349 106.183 2.166 19013 8937 1 16 . 1 1 45 45 GLY C C 45 173.791 173.791 174.962 -1.171 19013 8938 1 16 . 1 1 45 45 GLY CA C 45 45.637 45.637 46.243 -0.606 19013 8939 1 16 . 1 1 46 46 ASP N N 46 119.869 119.869 120.589 -0.720 19013 8940 1 16 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.448 0.241 19013 8941 1 16 . 1 1 46 46 ASP C C 46 176.628 176.628 176.812 -0.184 19013 8942 1 16 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.730 -0.709 19013 8943 1 16 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.369 0.727 19013 8944 1 16 . 1 1 47 47 THR N N 47 113.962 113.962 115.022 -1.060 19013 8945 1 16 . 1 1 47 47 THR HA H 47 4.258 4.258 3.964 0.294 19013 8946 1 16 . 1 1 47 47 THR C C 47 175.277 175.277 173.920 1.357 19013 8947 1 16 . 1 1 47 47 THR CA C 47 62.715 62.715 62.950 -0.235 19013 8948 1 16 . 1 1 47 47 THR CB C 47 69.504 69.504 68.274 1.230 19013 8949 1 16 . 1 1 48 48 GLU N N 48 121.748 121.748 118.231 3.517 19013 8950 1 16 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.420 -0.185 19013 8951 1 16 . 1 1 48 48 GLU C C 48 177.221 177.221 176.260 0.961 19013 8952 1 16 . 1 1 48 48 GLU CA C 48 57.505 57.505 57.196 0.309 19013 8953 1 16 . 1 1 48 48 GLU CB C 48 29.718 29.718 31.208 -1.490 19013 8954 1 16 . 1 1 49 49 THR N N 49 113.781 113.781 111.639 2.142 19013 8955 1 16 . 1 1 49 49 THR HA H 49 4.160 4.160 4.435 -0.275 19013 8956 1 16 . 1 1 49 49 THR C C 49 174.979 174.979 174.171 0.808 19013 8957 1 16 . 1 1 49 49 THR CA C 49 62.989 62.989 61.980 1.009 19013 8958 1 16 . 1 1 49 49 THR CB C 49 69.198 69.198 70.422 -1.224 19013 8959 1 16 . 1 1 50 50 MET N N 50 121.133 121.133 122.255 -1.122 19013 8960 1 16 . 1 1 50 50 MET HA H 50 4.295 4.295 4.379 -0.084 19013 8961 1 16 . 1 1 50 50 MET C C 50 175.846 175.846 174.106 1.740 19013 8962 1 16 . 1 1 50 50 MET CA C 50 55.981 55.981 54.946 1.035 19013 8963 1 16 . 1 1 50 50 MET CB C 50 32.549 32.549 32.990 -0.441 19013 8964 1 16 . 1 1 51 51 ARG N N 51 120.641 120.641 115.167 5.474 19013 8965 1 16 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.575 -0.237 19013 8966 1 16 . 1 1 51 51 ARG C C 51 176.213 176.213 174.906 1.307 19013 8967 1 16 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.453 1.426 19013 8968 1 16 . 1 1 51 51 ARG CB C 51 30.606 30.606 32.440 -1.834 19013 8969 1 16 . 1 1 52 52 THR N N 52 116.663 116.663 112.893 3.770 19013 8970 1 16 . 1 1 52 52 THR HA H 52 4.564 4.564 4.310 0.254 19013 8971 1 16 . 1 1 52 52 THR C C 52 172.814 172.814 173.658 -0.844 19013 8972 1 16 . 1 1 52 52 THR CA C 52 59.828 59.828 62.825 -2.997 19013 8973 1 16 . 1 1 52 52 THR CB C 52 69.498 69.498 67.689 1.809 19013 8974 1 16 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.418 -0.078 19013 8975 1 16 . 1 1 53 53 PRO C C 53 177.518 177.518 176.396 1.122 19013 8976 1 16 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.571 0.419 19013 8977 1 16 . 1 1 53 53 PRO CB C 53 31.917 31.917 32.207 -0.290 19013 8978 1 16 . 1 1 54 54 GLY N N 54 108.804 108.804 105.799 3.005 19013 8979 1 16 . 1 1 54 54 GLY C C 54 174.121 174.121 173.087 1.034 19013 8980 1 16 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.766 0.603 19013 8981 1 16 . 1 1 55 55 TYR N N 55 119.872 119.872 119.494 0.378 19013 8982 1 16 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.807 -0.447 19013 8983 1 16 . 1 1 55 55 TYR C C 55 175.550 175.550 174.877 0.673 19013 8984 1 16 . 1 1 55 55 TYR CA C 55 58.508 58.508 56.344 2.164 19013 8985 1 16 . 1 1 55 55 TYR CB C 55 38.907 38.907 41.269 -2.362 19013 8986 1 16 . 1 1 56 56 PHE N N 56 121.248 121.248 121.879 -0.631 19013 8987 1 16 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.618 -0.189 19013 8988 1 16 . 1 1 56 56 PHE C C 56 175.354 175.354 177.202 -1.848 19013 8989 1 16 . 1 1 56 56 PHE CA C 56 58.138 58.138 58.337 -0.199 19013 8990 1 16 . 1 1 56 56 PHE CB C 56 39.513 39.513 39.495 0.018 19013 8991 1 16 . 1 1 57 57 PHE N N 57 121.226 121.226 120.645 0.581 19013 8992 1 16 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.648 -0.175 19013 8993 1 16 . 1 1 57 57 PHE C C 57 175.182 175.182 176.233 -1.051 19013 8994 1 16 . 1 1 57 57 PHE CA C 57 57.826 57.826 58.548 -0.722 19013 8995 1 16 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.248 0.281 19013 8996 1 16 . 1 1 58 58 GLN N N 58 121.160 121.160 117.773 3.387 19013 8997 1 16 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.651 0.581 19013 8998 1 16 . 1 1 58 58 GLN C C 58 175.287 175.287 174.170 1.117 19013 8999 1 16 . 1 1 58 58 GLN CA C 58 55.406 55.406 56.155 -0.749 19013 9000 1 16 . 1 1 58 58 GLN CB C 58 29.477 29.477 29.343 0.133 19013 9001 1 16 . 1 1 59 59 GLN N N 59 120.923 120.923 119.701 1.222 19013 9002 1 16 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.455 -0.169 19013 9003 1 16 . 1 1 59 59 GLN C C 59 175.318 175.318 174.656 0.662 19013 9004 1 16 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.122 -0.825 19013 9005 1 16 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.961 -0.542 19013 9006 1 16 . 1 1 60 60 ALA N N 60 126.737 126.737 122.933 3.804 19013 9007 1 16 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.183 0.353 19013 9008 1 16 . 1 1 60 60 ALA C C 60 175.924 175.924 176.302 -0.378 19013 9009 1 16 . 1 1 60 60 ALA CA C 60 50.682 50.682 52.141 -1.459 19013 9010 1 16 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.876 0.297 19013 9011 1 16 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.179 0.225 19013 9012 1 16 . 1 1 61 61 PRO C C 61 176.902 176.902 177.435 -0.533 19013 9013 1 16 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.669 -1.120 19013 9014 1 16 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.811 0.170 19013 9015 1 16 . 1 1 62 62 ASN N N 62 116.490 116.490 113.566 2.924 19013 9016 1 16 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.629 -0.029 19013 9017 1 16 . 1 1 62 62 ASN C C 62 174.942 174.942 175.404 -0.462 19013 9018 1 16 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.598 -0.299 19013 9019 1 16 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.196 -0.175 19013 9020 1 16 . 1 1 63 63 ARG N N 63 120.117 120.117 119.598 0.519 19013 9021 1 16 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.629 -0.268 19013 9022 1 16 . 1 1 63 63 ARG C C 63 175.853 175.853 175.019 0.834 19013 9023 1 16 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.196 1.359 19013 9024 1 16 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.628 -1.543 19013 9025 1 16 . 1 1 64 64 ARG N N 64 123.061 123.061 121.441 1.620 19013 9026 1 16 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.702 -0.402 19013 9027 1 16 . 1 1 64 64 ARG C C 64 175.995 175.995 177.119 -1.124 19013 9028 1 16 . 1 1 64 64 ARG CA C 64 56.003 56.003 55.096 0.906 19013 9029 1 16 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.080 0.400 19013 9030 1 16 . 1 1 65 65 ARG N N 65 123.698 123.698 124.210 -0.512 19013 9031 1 16 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.125 0.451 19013 9032 1 16 . 1 1 65 65 ARG C C 65 176.085 176.085 177.294 -1.209 19013 9033 1 16 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.788 -2.340 19013 9034 1 16 . 1 1 65 65 ARG CB C 65 31.155 31.155 29.502 1.653 19013 9035 1 16 . 1 1 66 66 ILE N N 66 120.928 120.928 118.787 2.141 19013 9036 1 16 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.950 0.485 19013 9037 1 16 . 1 1 66 66 ILE C C 66 175.488 175.488 175.581 -0.093 19013 9038 1 16 . 1 1 66 66 ILE CA C 66 60.214 60.214 62.756 -2.542 19013 9039 1 16 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.425 1.729 19013 9040 1 16 . 1 1 67 67 SER N N 67 119.534 119.534 112.093 7.441 19013 9041 1 16 . 1 1 67 67 SER HA H 67 4.431 4.431 4.182 0.249 19013 9042 1 16 . 1 1 67 67 SER C C 67 174.034 174.034 173.375 0.659 19013 9043 1 16 . 1 1 67 67 SER CA C 67 58.599 58.599 59.525 -0.926 19013 9044 1 16 . 1 1 67 67 SER CB C 67 63.499 63.499 62.466 1.033 19013 9045 1 16 . 1 1 68 68 ARG N N 68 124.936 124.936 119.590 5.346 19013 9046 1 16 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.525 0.050 19013 9047 1 16 . 1 1 68 68 ARG C C 68 175.967 175.967 174.796 1.171 19013 9048 1 16 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.800 0.654 19013 9049 1 16 . 1 1 68 68 ARG CB C 68 32.473 32.473 33.029 -0.555 19013 9050 1 16 . 1 1 69 69 GLU N N 69 136.462 136.462 124.017 12.445 19013 9051 1 16 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.216 0.289 19013 9052 1 16 . 1 1 69 69 GLU C C 69 174.852 174.852 175.531 -0.679 19013 9053 1 16 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.413 -0.218 19013 9054 1 16 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.552 -0.751 19013 9055 1 16 . 1 1 70 70 HIS N N 70 120.728 120.728 118.346 2.382 19013 9056 1 16 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.882 -1.146 19013 9057 1 16 . 1 1 70 70 HIS C C 70 171.455 171.455 173.394 -1.939 19013 9058 1 16 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.639 0.935 19013 9059 1 16 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.485 -1.369 19013 9060 1 16 . 1 1 71 71 GLY N N 71 108.698 108.698 107.364 1.334 19013 9061 1 16 . 1 1 71 71 GLY C C 71 174.611 174.611 172.830 1.781 19013 9062 1 16 . 1 1 71 71 GLY CA C 71 43.064 43.064 42.429 0.635 19013 9063 1 16 . 1 1 72 72 ARG N N 72 123.350 123.350 118.911 4.439 19013 9064 1 16 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.239 -0.044 19013 9065 1 16 . 1 1 72 72 ARG C C 72 178.495 178.495 176.674 1.821 19013 9066 1 16 . 1 1 72 72 ARG CA C 72 60.196 60.196 58.617 1.579 19013 9067 1 16 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.613 0.209 19013 9068 1 16 . 1 1 73 73 THR N N 73 103.467 103.467 106.135 -2.668 19013 9069 1 16 . 1 1 73 73 THR HA H 73 4.196 4.196 4.166 0.030 19013 9070 1 16 . 1 1 73 73 THR C C 73 171.300 171.300 172.532 -1.232 19013 9071 1 16 . 1 1 73 73 THR CA C 73 59.336 59.336 60.810 -1.474 19013 9072 1 16 . 1 1 73 73 THR CB C 73 69.837 69.837 69.622 0.215 19013 9073 1 16 . 1 1 74 74 TRP N N 74 112.582 112.582 119.337 -6.755 19013 9074 1 16 . 1 1 74 74 TRP HA H 74 5.707 5.707 6.093 -0.386 19013 9075 1 16 . 1 1 74 74 TRP C C 74 176.667 176.667 173.857 2.810 19013 9076 1 16 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.640 0.242 19013 9077 1 16 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.633 1.227 19013 9078 1 16 . 1 1 75 75 THR N N 75 114.629 114.629 116.683 -2.054 19013 9079 1 16 . 1 1 75 75 THR HA H 75 4.594 4.594 4.820 -0.226 19013 9080 1 16 . 1 1 75 75 THR C C 75 170.237 170.237 172.839 -2.602 19013 9081 1 16 . 1 1 75 75 THR CA C 75 61.354 61.354 60.755 0.599 19013 9082 1 16 . 1 1 75 75 THR CB C 75 69.887 69.887 71.593 -1.706 19013 9083 1 16 . 1 1 76 76 LYS N N 76 130.596 130.596 129.256 1.340 19013 9084 1 16 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.313 0.409 19013 9085 1 16 . 1 1 76 76 LYS C C 76 177.934 177.934 175.616 2.318 19013 9086 1 16 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.432 0.608 19013 9087 1 16 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.873 1.297 19013 9088 1 16 . 1 1 77 77 LEU N N 77 128.006 128.006 128.776 -0.770 19013 9089 1 16 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.494 -0.207 19013 9090 1 16 . 1 1 77 77 LEU C C 77 174.557 174.557 175.233 -0.676 19013 9091 1 16 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.860 1.438 19013 9092 1 16 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.662 2.438 19013 9093 1 16 . 1 1 78 78 THR N N 78 123.666 123.666 119.799 3.867 19013 9094 1 16 . 1 1 78 78 THR HA H 78 4.435 4.435 4.476 -0.041 19013 9095 1 16 . 1 1 78 78 THR C C 78 174.067 174.067 174.209 -0.142 19013 9096 1 16 . 1 1 78 78 THR CA C 78 62.500 62.500 61.773 0.727 19013 9097 1 16 . 1 1 78 78 THR CB C 78 67.902 67.902 69.169 -1.267 19013 9098 1 16 . 1 1 79 79 TYR N N 79 125.290 125.290 125.372 -0.082 19013 9099 1 16 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.667 0.285 19013 9100 1 16 . 1 1 79 79 TYR C C 79 176.523 176.523 177.559 -1.036 19013 9101 1 16 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.636 -0.257 19013 9102 1 16 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.966 0.853 19013 9103 1 16 . 1 1 80 80 ALA N N 80 121.971 121.971 122.219 -0.248 19013 9104 1 16 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.870 0.190 19013 9105 1 16 . 1 1 80 80 ALA C C 80 177.255 177.255 177.507 -0.252 19013 9106 1 16 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.856 0.074 19013 9107 1 16 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.091 2.095 19013 9108 1 16 . 1 1 81 81 ASN N N 81 112.786 112.786 118.949 -6.163 19013 9109 1 16 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.896 0.201 19013 9110 1 16 . 1 1 81 81 ASN C C 81 175.438 175.438 175.652 -0.214 19013 9111 1 16 . 1 1 81 81 ASN CA C 81 51.488 51.488 53.146 -1.658 19013 9112 1 16 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.226 2.204 19013 9113 1 16 . 1 1 82 82 HIS N N 82 123.560 123.560 122.665 0.895 19013 9114 1 16 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.463 -0.176 19013 9115 1 16 . 1 1 82 82 HIS C C 82 176.494 176.494 177.107 -0.613 19013 9116 1 16 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.164 -0.073 19013 9117 1 16 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.285 -1.722 19013 9118 1 16 . 1 1 83 83 SER N N 83 114.623 114.623 114.424 0.199 19013 9119 1 16 . 1 1 83 83 SER HA H 83 4.095 4.095 4.289 -0.194 19013 9120 1 16 . 1 1 83 83 SER C C 83 177.619 177.619 176.160 1.459 19013 9121 1 16 . 1 1 83 83 SER CA C 83 61.637 61.637 61.197 0.440 19013 9122 1 16 . 1 1 83 83 SER CB C 83 61.644 61.644 62.862 -1.218 19013 9123 1 16 . 1 1 84 84 SER N N 84 120.863 120.863 115.977 4.886 19013 9124 1 16 . 1 1 84 84 SER HA H 84 3.935 3.935 4.435 -0.500 19013 9125 1 16 . 1 1 84 84 SER C C 84 173.466 173.466 176.163 -2.697 19013 9126 1 16 . 1 1 84 84 SER CA C 84 62.250 62.250 60.380 1.870 19013 9127 1 16 . 1 1 84 84 SER CB C 84 62.700 62.700 63.403 -0.703 19013 9128 1 16 . 1 1 85 85 TYR N N 85 122.263 122.263 124.116 -1.853 19013 9129 1 16 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.804 -0.035 19013 9130 1 16 . 1 1 85 85 TYR C C 85 175.010 175.010 176.708 -1.698 19013 9131 1 16 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.492 -0.819 19013 9132 1 16 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.280 -0.655 19013 9133 1 16 . 1 1 86 86 LEU N N 86 117.366 117.366 117.137 0.229 19013 9134 1 16 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.814 -0.277 19013 9135 1 16 . 1 1 86 86 LEU C C 86 179.942 179.942 179.230 0.712 19013 9136 1 16 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.581 -0.312 19013 9137 1 16 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.582 1.112 19013 9138 1 16 . 1 1 87 87 ARG N N 87 118.578 118.578 118.224 0.354 19013 9139 1 16 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.058 -0.210 19013 9140 1 16 . 1 1 87 87 ARG C C 87 178.784 178.784 178.251 0.533 19013 9141 1 16 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.950 -1.509 19013 9142 1 16 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.252 -1.311 19013 9143 1 16 . 1 1 88 88 ALA N N 88 123.868 123.868 121.218 2.650 19013 9144 1 16 . 1 1 88 88 ALA HA H 88 3.543 3.543 3.860 -0.317 19013 9145 1 16 . 1 1 88 88 ALA C C 88 179.517 179.517 177.992 1.525 19013 9146 1 16 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.257 2.157 19013 9147 1 16 . 1 1 88 88 ALA CB C 88 18.142 18.142 17.826 0.316 19013 9148 1 16 . 1 1 89 89 LEU N N 89 114.573 114.573 119.160 -4.587 19013 9149 1 16 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.063 -0.139 19013 9150 1 16 . 1 1 89 89 LEU C C 89 180.088 180.088 175.501 4.587 19013 9151 1 16 . 1 1 89 89 LEU CA C 89 57.417 57.417 53.506 3.911 19013 9152 1 16 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.986 -0.100 19013 9153 1 16 . 1 1 90 90 ARG N N 90 116.735 116.735 119.047 -2.312 19013 9154 1 16 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.168 -0.036 19013 9155 1 16 . 1 1 90 90 ARG C C 90 177.429 177.429 176.159 1.270 19013 9156 1 16 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.837 0.962 19013 9157 1 16 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.310 0.524 19013 9158 1 16 . 1 1 91 91 GLU N N 91 115.787 115.787 123.608 -7.821 19013 9159 1 16 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.432 -0.285 19013 9160 1 16 . 1 1 91 91 GLU C C 91 176.303 176.303 176.655 -0.352 19013 9161 1 16 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.889 -0.553 19013 9162 1 16 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.080 -0.375 19013 9163 1 16 . 1 1 92 92 HIS N N 92 118.997 118.997 119.787 -0.790 19013 9164 1 16 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.417 -0.146 19013 9165 1 16 . 1 1 92 92 HIS C C 92 176.823 176.823 175.501 1.322 19013 9166 1 16 . 1 1 92 92 HIS CA C 92 59.453 59.453 58.051 1.402 19013 9167 1 16 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.876 0.936 19013 9168 1 16 . 1 1 93 93 GLY N N 93 116.944 116.944 107.339 9.605 19013 9169 1 16 . 1 1 93 93 GLY C C 93 174.512 174.512 173.737 0.775 19013 9170 1 16 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.089 -0.113 19013 9171 1 16 . 1 1 94 94 THR N N 94 117.838 117.838 120.166 -2.328 19013 9172 1 16 . 1 1 94 94 THR HA H 94 4.059 4.059 4.590 -0.531 19013 9173 1 16 . 1 1 94 94 THR C C 94 172.656 172.656 173.317 -0.661 19013 9174 1 16 . 1 1 94 94 THR CA C 94 63.330 63.330 61.909 1.421 19013 9175 1 16 . 1 1 94 94 THR CB C 94 69.936 69.936 69.058 0.877 19013 9176 1 16 . 1 1 95 95 ILE N N 95 124.155 124.155 126.611 -2.456 19013 9177 1 16 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.499 -0.111 19013 9178 1 16 . 1 1 95 95 ILE C C 95 175.534 175.534 174.892 0.642 19013 9179 1 16 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.759 -0.982 19013 9180 1 16 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.181 -3.191 19013 9181 1 16 . 1 1 96 96 TYR N N 96 130.370 130.370 128.288 2.082 19013 9182 1 16 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.818 -0.255 19013 9183 1 16 . 1 1 96 96 TYR C C 96 174.539 174.539 175.962 -1.423 19013 9184 1 16 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.914 -0.458 19013 9185 1 16 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.013 -0.286 19013 9186 1 16 . 1 1 97 97 CYS N N 97 123.936 123.936 126.692 -2.756 19013 9187 1 16 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.991 -0.333 19013 9188 1 16 . 1 1 97 97 CYS C C 97 175.798 175.798 175.043 0.755 19013 9189 1 16 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.123 0.698 19013 9190 1 16 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.778 -1.299 19013 9191 1 16 . 1 1 98 98 GLY N N 98 103.268 103.268 105.789 -2.521 19013 9192 1 16 . 1 1 98 98 GLY C C 98 173.270 173.270 172.831 0.439 19013 9193 1 16 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.959 0.353 19013 9194 1 16 . 1 1 99 99 ALA N N 99 123.511 123.511 122.507 1.004 19013 9195 1 16 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.674 0.021 19013 9196 1 16 . 1 1 99 99 ALA C C 99 175.215 175.215 175.441 -0.226 19013 9197 1 16 . 1 1 99 99 ALA CA C 99 50.778 50.778 51.297 -0.519 19013 9198 1 16 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.699 0.056 19013 9199 1 16 . 1 1 100 100 ALA N N 100 124.957 124.957 125.802 -0.845 19013 9200 1 16 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.338 -0.705 19013 9201 1 16 . 1 1 100 100 ALA C C 100 177.477 177.477 177.782 -0.305 19013 9202 1 16 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.068 0.455 19013 9203 1 16 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.360 -1.190 19013 9204 1 16 . 1 1 101 101 ILE N N 101 121.598 121.598 118.974 2.624 19013 9205 1 16 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.586 -0.131 19013 9206 1 16 . 1 1 101 101 ILE C C 101 175.956 175.956 175.559 0.397 19013 9207 1 16 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.496 0.468 19013 9208 1 16 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.741 1.094 19013 9209 1 16 . 1 1 102 102 GLY N N 102 113.717 113.717 112.969 0.748 19013 9210 1 16 . 1 1 102 102 GLY C C 102 172.857 172.857 172.418 0.439 19013 9211 1 16 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.566 -1.122 19013 9212 1 16 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.522 0.012 19013 9213 1 16 . 1 1 103 103 CYS C C 103 172.624 172.624 174.226 -1.602 19013 9214 1 16 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.214 2.489 19013 9215 1 16 . 1 1 103 103 CYS CB C 103 27.343 27.343 28.812 -1.469 19013 9216 1 16 . 1 1 104 104 VAL N N 104 118.519 118.519 119.594 -1.075 19013 9217 1 16 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.759 0.146 19013 9218 1 16 . 1 1 104 104 VAL C C 104 172.705 172.705 174.169 -1.464 19013 9219 1 16 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.004 -0.591 19013 9220 1 16 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.352 -0.249 19013 9221 1 16 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.521 0.094 19013 9222 1 16 . 1 1 105 105 PRO C C 105 176.557 176.557 175.992 0.565 19013 9223 1 16 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.050 0.505 19013 9224 1 16 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.296 0.370 19013 9225 1 16 . 1 1 106 106 TYR N N 106 121.923 121.923 123.914 -1.991 19013 9226 1 16 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.284 -0.454 19013 9227 1 16 . 1 1 106 106 TYR C C 106 174.643 174.643 174.841 -0.198 19013 9228 1 16 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.066 0.952 19013 9229 1 16 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.751 0.636 19013 9230 1 16 . 1 1 107 107 LYS N N 107 124.087 124.087 126.896 -2.809 19013 9231 1 16 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.454 -0.273 19013 9232 1 16 . 1 1 107 107 LYS C C 107 176.443 176.443 176.019 0.424 19013 9233 1 16 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.108 0.669 19013 9234 1 16 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.343 0.582 19013 9235 1 16 . 1 1 108 108 HIS N N 108 124.171 124.171 123.668 0.503 19013 9236 1 16 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.968 -0.008 19013 9237 1 16 . 1 1 108 108 HIS C C 108 176.998 176.998 177.004 -0.006 19013 9238 1 16 . 1 1 108 108 HIS CA C 108 59.599 59.599 58.926 0.673 19013 9239 1 16 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.213 -0.665 19013 9240 1 16 . 1 1 109 109 GLU N N 109 118.941 118.941 120.352 -1.411 19013 9241 1 16 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.113 -0.200 19013 9242 1 16 . 1 1 109 109 GLU C C 109 177.738 177.738 178.777 -1.039 19013 9243 1 16 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.557 0.780 19013 9244 1 16 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.076 -0.357 19013 9245 1 16 . 1 1 110 110 LEU N N 110 118.555 118.555 121.116 -2.561 19013 9246 1 16 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.874 0.127 19013 9247 1 16 . 1 1 110 110 LEU C C 110 177.872 177.872 178.081 -0.209 19013 9248 1 16 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.605 -1.232 19013 9249 1 16 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.493 0.462 19013 9250 1 16 . 1 1 111 111 ILE N N 111 117.129 117.129 118.147 -1.018 19013 9251 1 16 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.217 -0.247 19013 9252 1 16 . 1 1 111 111 ILE C C 111 178.773 178.773 178.211 0.562 19013 9253 1 16 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.777 -1.039 19013 9254 1 16 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.996 -0.578 19013 9255 1 16 . 1 1 112 112 SER N N 112 116.165 116.165 115.462 0.703 19013 9256 1 16 . 1 1 112 112 SER HA H 112 4.000 4.000 4.032 -0.032 19013 9257 1 16 . 1 1 112 112 SER C C 112 176.313 176.313 176.579 -0.266 19013 9258 1 16 . 1 1 112 112 SER CA C 112 61.433 61.433 62.283 -0.850 19013 9259 1 16 . 1 1 112 112 SER CB C 112 62.188 62.188 63.011 -0.823 19013 9260 1 16 . 1 1 113 113 GLU N N 113 120.732 120.732 121.895 -1.163 19013 9261 1 16 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.967 0.019 19013 9262 1 16 . 1 1 113 113 GLU C C 113 178.799 178.799 178.544 0.255 19013 9263 1 16 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.820 -0.299 19013 9264 1 16 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.125 0.257 19013 9265 1 16 . 1 1 114 114 LEU N N 114 119.452 119.452 118.652 0.800 19013 9266 1 16 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.824 -0.101 19013 9267 1 16 . 1 1 114 114 LEU C C 114 179.184 179.184 179.462 -0.278 19013 9268 1 16 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.563 -0.879 19013 9269 1 16 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.106 -1.119 19013 9270 1 16 . 1 1 115 115 SER N N 115 112.708 112.708 113.414 -0.706 19013 9271 1 16 . 1 1 115 115 SER HA H 115 4.615 4.615 4.403 0.212 19013 9272 1 16 . 1 1 115 115 SER C C 115 174.994 174.994 175.493 -0.499 19013 9273 1 16 . 1 1 115 115 SER CA C 115 59.706 59.706 60.668 -0.962 19013 9274 1 16 . 1 1 115 115 SER CB C 115 63.512 63.512 63.096 0.416 19013 9275 1 16 . 1 1 116 116 ARG N N 116 121.600 121.600 120.414 1.186 19013 9276 1 16 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.322 -0.081 19013 9277 1 16 . 1 1 116 116 ARG C C 116 176.893 176.893 175.982 0.911 19013 9278 1 16 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.744 0.278 19013 9279 1 16 . 1 1 116 116 ARG CB C 116 30.163 30.163 31.157 -0.994 19013 9280 1 16 . 1 1 117 117 GLU N N 117 120.450 120.450 116.116 4.334 19013 9281 1 16 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.028 0.212 19013 9282 1 16 . 1 1 117 117 GLU C C 117 177.260 177.260 176.683 0.577 19013 9283 1 16 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.938 0.104 19013 9284 1 16 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.548 2.215 19013 9285 1 16 . 1 1 118 118 GLY N N 118 108.905 108.905 107.037 1.868 19013 9286 1 16 . 1 1 118 118 GLY C C 118 174.225 174.225 175.131 -0.906 19013 9287 1 16 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.453 -0.070 19013 9288 1 16 . 1 1 119 119 HIS N N 119 117.625 117.625 120.847 -3.222 19013 9289 1 16 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.598 0.061 19013 9290 1 16 . 1 1 119 119 HIS C C 119 174.439 174.439 174.525 -0.086 19013 9291 1 16 . 1 1 119 119 HIS CA C 119 55.413 55.413 54.738 0.675 19013 9292 1 16 . 1 1 119 119 HIS CB C 119 28.904 28.904 28.119 0.785 19013 9293 1 16 . 1 1 120 120 HIS N N 120 119.015 119.015 124.152 -5.137 19013 9294 1 16 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.755 -0.083 19013 9295 1 16 . 1 1 120 120 HIS C C 120 174.259 174.259 174.707 -0.448 19013 9296 1 16 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.895 -0.574 19013 9297 1 16 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.844 -0.746 19013 9298 1 16 . 1 1 121 121 HIS N N 121 119.872 119.872 122.452 -2.580 19013 9299 1 16 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.703 -0.023 19013 9300 1 16 . 1 1 121 121 HIS C C 121 174.245 174.245 173.162 1.083 19013 9301 1 16 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.911 -0.522 19013 9302 1 16 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.352 -2.094 19013 9303 1 16 . 1 1 122 122 HIS N N 122 120.597 120.597 119.232 1.365 19013 9304 1 16 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.469 0.218 19013 9305 1 16 . 1 1 122 122 HIS C C 122 174.101 174.101 174.465 -0.364 19013 9306 1 16 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.539 -1.153 19013 9307 1 16 . 1 1 122 122 HIS CB C 122 29.349 29.349 31.845 -2.496 19013 9308 1 16 . 1 1 123 123 HIS N N 123 120.680 120.680 119.820 0.860 19013 9309 1 16 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.851 -0.195 19013 9310 1 16 . 1 1 123 123 HIS C C 123 173.591 173.591 175.264 -1.673 19013 9311 1 16 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.351 -0.788 19013 9312 1 16 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.625 -1.169 19013 9313 1 17 . 1 1 2 2 SER HA H 2 4.167 4.167 4.432 -0.265 19013 9314 1 17 . 1 1 2 2 SER C C 2 170.960 170.960 175.446 -4.486 19013 9315 1 17 . 1 1 2 2 SER CA C 2 57.139 57.139 58.703 -1.564 19013 9316 1 17 . 1 1 2 2 SER CB C 2 63.027 63.027 63.990 -0.963 19013 9317 1 17 . 1 1 3 3 LEU N N 3 123.102 123.102 121.980 1.122 19013 9318 1 17 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.067 0.348 19013 9319 1 17 . 1 1 3 3 LEU C C 3 177.886 177.886 175.317 2.569 19013 9320 1 17 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.825 0.800 19013 9321 1 17 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.684 0.650 19013 9322 1 17 . 1 1 4 4 GLY N N 4 110.546 110.546 106.113 4.433 19013 9323 1 17 . 1 1 4 4 GLY C C 4 174.473 174.473 172.367 2.106 19013 9324 1 17 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.050 0.220 19013 9325 1 17 . 1 1 5 5 SER N N 5 115.839 115.839 113.574 2.265 19013 9326 1 17 . 1 1 5 5 SER HA H 5 4.472 4.472 4.633 -0.161 19013 9327 1 17 . 1 1 5 5 SER C C 5 175.085 175.085 174.637 0.448 19013 9328 1 17 . 1 1 5 5 SER CA C 5 58.419 58.419 57.229 1.190 19013 9329 1 17 . 1 1 5 5 SER CB C 5 63.648 63.648 65.776 -2.128 19013 9330 1 17 . 1 1 6 6 GLU N N 6 122.855 122.855 121.402 1.453 19013 9331 1 17 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.542 -0.202 19013 9332 1 17 . 1 1 6 6 GLU C C 6 176.767 176.767 177.009 -0.242 19013 9333 1 17 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.316 0.704 19013 9334 1 17 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.603 0.182 19013 9335 1 17 . 1 1 7 7 SER N N 7 116.046 116.046 116.436 -0.390 19013 9336 1 17 . 1 1 7 7 SER HA H 7 4.444 4.444 4.240 0.204 19013 9337 1 17 . 1 1 7 7 SER C C 7 174.946 174.946 176.148 -1.202 19013 9338 1 17 . 1 1 7 7 SER CA C 7 58.587 58.587 60.859 -2.272 19013 9339 1 17 . 1 1 7 7 SER CB C 7 63.645 63.645 62.551 1.094 19013 9340 1 17 . 1 1 8 8 GLU N N 8 122.758 122.758 121.637 1.121 19013 9341 1 17 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.111 0.261 19013 9342 1 17 . 1 1 8 8 GLU C C 8 176.929 176.929 177.315 -0.386 19013 9343 1 17 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.881 -0.979 19013 9344 1 17 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.012 0.825 19013 9345 1 17 . 1 1 9 9 THR N N 9 113.221 113.221 114.956 -1.735 19013 9346 1 17 . 1 1 9 9 THR HA H 9 4.295 4.295 4.122 0.173 19013 9347 1 17 . 1 1 9 9 THR C C 9 175.371 175.371 176.211 -0.840 19013 9348 1 17 . 1 1 9 9 THR CA C 9 62.279 62.279 65.222 -2.943 19013 9349 1 17 . 1 1 9 9 THR CB C 9 69.828 69.828 68.997 0.831 19013 9350 1 17 . 1 1 10 10 GLY N N 10 110.774 110.774 109.718 1.056 19013 9351 1 17 . 1 1 10 10 GLY C C 10 173.283 173.283 172.628 0.655 19013 9352 1 17 . 1 1 10 10 GLY CA C 10 45.731 45.731 44.940 0.791 19013 9353 1 17 . 1 1 11 11 ASN N N 11 116.215 116.215 117.851 -1.636 19013 9354 1 17 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.773 -0.506 19013 9355 1 17 . 1 1 11 11 ASN C C 11 174.352 174.352 173.203 1.149 19013 9356 1 17 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.114 0.353 19013 9357 1 17 . 1 1 11 11 ASN CB C 11 39.483 39.483 40.442 -0.959 19013 9358 1 17 . 1 1 12 12 ALA N N 12 121.979 121.979 121.225 0.754 19013 9359 1 17 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.374 0.611 19013 9360 1 17 . 1 1 12 12 ALA C C 12 177.325 177.325 175.226 2.099 19013 9361 1 17 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.997 -0.460 19013 9362 1 17 . 1 1 12 12 ALA CB C 12 21.830 21.830 22.262 -0.432 19013 9363 1 17 . 1 1 13 13 VAL N N 13 116.191 116.191 116.528 -0.337 19013 9364 1 17 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.244 0.082 19013 9365 1 17 . 1 1 13 13 VAL C C 13 175.275 175.275 174.189 1.086 19013 9366 1 17 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.059 -0.297 19013 9367 1 17 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.044 0.117 19013 9368 1 17 . 1 1 14 14 VAL N N 14 119.334 119.334 121.698 -2.364 19013 9369 1 17 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.626 0.612 19013 9370 1 17 . 1 1 14 14 VAL C C 14 174.716 174.716 175.088 -0.372 19013 9371 1 17 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.653 -0.357 19013 9372 1 17 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.626 1.754 19013 9373 1 17 . 1 1 15 15 VAL N N 15 127.812 127.812 127.646 0.166 19013 9374 1 17 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.245 0.063 19013 9375 1 17 . 1 1 15 15 VAL C C 15 176.256 176.256 175.263 0.993 19013 9376 1 17 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.547 -0.392 19013 9377 1 17 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.324 -0.023 19013 9378 1 17 . 1 1 16 16 PHE N N 16 122.243 122.243 121.012 1.231 19013 9379 1 17 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.317 0.602 19013 9380 1 17 . 1 1 16 16 PHE C C 16 174.623 174.623 174.435 0.188 19013 9381 1 17 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.196 0.939 19013 9382 1 17 . 1 1 16 16 PHE CB C 16 42.093 42.093 41.994 0.099 19013 9383 1 17 . 1 1 17 17 GLY N N 17 106.894 106.894 106.087 0.807 19013 9384 1 17 . 1 1 17 17 GLY C C 17 174.023 174.023 173.768 0.255 19013 9385 1 17 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.263 -0.302 19013 9386 1 17 . 1 1 18 18 TYR N N 18 115.205 115.205 118.093 -2.888 19013 9387 1 17 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.885 -0.019 19013 9388 1 17 . 1 1 18 18 TYR C C 18 173.847 173.847 174.325 -0.478 19013 9389 1 17 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.865 -2.700 19013 9390 1 17 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.683 0.148 19013 9391 1 17 . 1 1 19 19 ARG N N 19 116.814 116.814 120.952 -4.138 19013 9392 1 17 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.669 -0.214 19013 9393 1 17 . 1 1 19 19 ARG C C 19 177.198 177.198 177.929 -0.731 19013 9394 1 17 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.605 0.323 19013 9395 1 17 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.747 -2.026 19013 9396 1 17 . 1 1 20 20 GLU N N 20 125.261 125.261 126.061 -0.800 19013 9397 1 17 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.120 -0.063 19013 9398 1 17 . 1 1 20 20 GLU C C 20 180.643 180.643 177.529 3.114 19013 9399 1 17 . 1 1 20 20 GLU CA C 20 59.529 59.529 59.385 0.144 19013 9400 1 17 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.834 1.028 19013 9401 1 17 . 1 1 21 21 ALA N N 21 119.760 119.760 121.486 -1.726 19013 9402 1 17 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.177 0.177 19013 9403 1 17 . 1 1 21 21 ALA C C 21 179.291 179.291 179.056 0.235 19013 9404 1 17 . 1 1 21 21 ALA CA C 21 54.680 54.680 54.478 0.202 19013 9405 1 17 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.052 1.357 19013 9406 1 17 . 1 1 22 22 ILE N N 22 109.751 109.751 112.801 -3.050 19013 9407 1 17 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.303 0.872 19013 9408 1 17 . 1 1 22 22 ILE C C 22 175.636 175.636 176.295 -0.659 19013 9409 1 17 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.249 -0.018 19013 9410 1 17 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.298 2.147 19013 9411 1 17 . 1 1 23 23 THR N N 23 118.763 118.763 119.336 -0.573 19013 9412 1 17 . 1 1 23 23 THR HA H 23 3.375 3.375 3.819 -0.444 19013 9413 1 17 . 1 1 23 23 THR C C 23 175.159 175.159 176.317 -1.158 19013 9414 1 17 . 1 1 23 23 THR CA C 23 68.267 68.267 67.290 0.977 19013 9415 1 17 . 1 1 23 23 THR CB C 23 69.564 69.564 68.252 1.312 19013 9416 1 17 . 1 1 24 24 LYS N N 24 118.723 118.723 119.440 -0.717 19013 9417 1 17 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.084 -0.421 19013 9418 1 17 . 1 1 24 24 LYS C C 24 178.421 178.421 179.470 -1.049 19013 9419 1 17 . 1 1 24 24 LYS CA C 24 61.054 61.054 58.926 2.128 19013 9420 1 17 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.592 0.189 19013 9421 1 17 . 1 1 25 25 GLN N N 25 118.276 118.276 118.875 -0.599 19013 9422 1 17 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.233 -0.190 19013 9423 1 17 . 1 1 25 25 GLN C C 25 179.248 179.248 179.034 0.214 19013 9424 1 17 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.496 1.184 19013 9425 1 17 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.919 -0.674 19013 9426 1 17 . 1 1 26 26 ILE N N 26 122.000 122.000 121.258 0.742 19013 9427 1 17 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.525 0.244 19013 9428 1 17 . 1 1 26 26 ILE C C 26 177.797 177.797 177.279 0.518 19013 9429 1 17 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.738 -1.560 19013 9430 1 17 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.701 -2.110 19013 9431 1 17 . 1 1 27 27 LEU N N 27 119.685 119.685 121.674 -1.989 19013 9432 1 17 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.033 -0.115 19013 9433 1 17 . 1 1 27 27 LEU C C 27 178.173 178.173 177.753 0.420 19013 9434 1 17 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.725 0.582 19013 9435 1 17 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.383 -0.296 19013 9436 1 17 . 1 1 28 28 ALA N N 28 118.927 118.927 119.943 -1.016 19013 9437 1 17 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.067 -0.205 19013 9438 1 17 . 1 1 28 28 ALA C C 28 179.693 179.693 178.373 1.320 19013 9439 1 17 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.813 0.089 19013 9440 1 17 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.442 -0.326 19013 9441 1 17 . 1 1 29 29 TYR N N 29 119.687 119.687 117.427 2.260 19013 9442 1 17 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.438 -0.516 19013 9443 1 17 . 1 1 29 29 TYR C C 29 178.234 178.234 177.360 0.874 19013 9444 1 17 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.332 0.804 19013 9445 1 17 . 1 1 29 29 TYR CB C 29 38.376 38.376 40.002 -1.626 19013 9446 1 17 . 1 1 30 30 PHE N N 30 115.353 115.353 118.708 -3.355 19013 9447 1 17 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.448 -0.519 19013 9448 1 17 . 1 1 30 30 PHE C C 30 180.031 180.031 176.843 3.188 19013 9449 1 17 . 1 1 30 30 PHE CA C 30 61.815 61.815 60.190 1.625 19013 9450 1 17 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.562 -0.611 19013 9451 1 17 . 1 1 31 31 ALA N N 31 125.929 125.929 122.853 3.076 19013 9452 1 17 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.169 0.293 19013 9453 1 17 . 1 1 31 31 ALA C C 31 178.235 178.235 178.948 -0.713 19013 9454 1 17 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.505 -0.711 19013 9455 1 17 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.352 -0.870 19013 9456 1 17 . 1 1 32 32 GLN N N 32 113.541 113.541 116.588 -3.047 19013 9457 1 17 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.995 -0.039 19013 9458 1 17 . 1 1 32 32 GLN C C 32 177.465 177.465 177.372 0.093 19013 9459 1 17 . 1 1 32 32 GLN CA C 32 56.959 56.959 57.475 -0.516 19013 9460 1 17 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.336 0.749 19013 9461 1 17 . 1 1 33 33 PHE N N 33 114.638 114.638 116.713 -2.075 19013 9462 1 17 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.343 0.307 19013 9463 1 17 . 1 1 33 33 PHE C C 33 175.848 175.848 175.996 -0.148 19013 9464 1 17 . 1 1 33 33 PHE CA C 33 57.066 57.066 59.835 -2.769 19013 9465 1 17 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.636 -2.706 19013 9466 1 17 . 1 1 34 34 GLY N N 34 106.452 106.452 104.976 1.476 19013 9467 1 17 . 1 1 34 34 GLY C C 34 170.428 170.428 172.507 -2.079 19013 9468 1 17 . 1 1 34 34 GLY CA C 34 44.564 44.564 44.937 -0.373 19013 9469 1 17 . 1 1 35 35 GLU N N 35 118.228 118.228 122.676 -4.448 19013 9470 1 17 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.324 -0.158 19013 9471 1 17 . 1 1 35 35 GLU C C 35 175.939 175.939 174.855 1.084 19013 9472 1 17 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.917 0.468 19013 9473 1 17 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.133 -0.018 19013 9474 1 17 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.283 0.281 19013 9475 1 17 . 1 1 36 36 ILE C C 36 176.530 176.530 175.501 1.029 19013 9476 1 17 . 1 1 36 36 ILE CA C 36 59.847 59.847 59.056 0.791 19013 9477 1 17 . 1 1 36 36 ILE CB C 36 41.594 41.594 40.065 1.529 19013 9478 1 17 . 1 1 37 37 LEU N N 37 125.464 125.464 122.856 2.608 19013 9479 1 17 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.714 0.375 19013 9480 1 17 . 1 1 37 37 LEU C C 37 178.470 178.470 176.579 1.891 19013 9481 1 17 . 1 1 37 37 LEU CA C 37 57.114 57.114 57.355 -0.241 19013 9482 1 17 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.128 1.048 19013 9483 1 17 . 1 1 38 38 GLU N N 38 120.405 120.405 117.149 3.256 19013 9484 1 17 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.133 0.046 19013 9485 1 17 . 1 1 38 38 GLU C C 38 175.620 175.620 175.977 -0.357 19013 9486 1 17 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.381 2.249 19013 9487 1 17 . 1 1 38 38 GLU CB C 38 29.551 29.551 31.753 -2.202 19013 9488 1 17 . 1 1 39 39 ASP N N 39 117.746 117.746 123.667 -5.921 19013 9489 1 17 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.742 -0.240 19013 9490 1 17 . 1 1 39 39 ASP C C 39 176.811 176.811 177.213 -0.402 19013 9491 1 17 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.653 -0.783 19013 9492 1 17 . 1 1 39 39 ASP CB C 39 40.381 40.381 39.881 0.500 19013 9493 1 17 . 1 1 40 40 LEU N N 40 127.180 127.180 122.869 4.311 19013 9494 1 17 . 1 1 40 40 LEU HA H 40 4.310 4.310 3.961 0.349 19013 9495 1 17 . 1 1 40 40 LEU C C 40 177.950 177.950 178.223 -0.273 19013 9496 1 17 . 1 1 40 40 LEU CA C 40 55.104 55.104 57.858 -2.754 19013 9497 1 17 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.197 -0.491 19013 9498 1 17 . 1 1 41 41 GLU N N 41 120.599 120.599 115.043 5.556 19013 9499 1 17 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.932 -0.002 19013 9500 1 17 . 1 1 41 41 GLU C C 41 178.353 178.353 176.677 1.676 19013 9501 1 17 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.394 0.844 19013 9502 1 17 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.826 0.565 19013 9503 1 17 . 1 1 42 42 SER N N 42 114.356 114.356 116.417 -2.061 19013 9504 1 17 . 1 1 42 42 SER HA H 42 4.209 4.209 4.751 -0.542 19013 9505 1 17 . 1 1 42 42 SER C C 42 175.221 175.221 173.751 1.470 19013 9506 1 17 . 1 1 42 42 SER CA C 42 60.331 60.331 56.955 3.377 19013 9507 1 17 . 1 1 42 42 SER CB C 42 62.849 62.849 63.437 -0.588 19013 9508 1 17 . 1 1 43 43 GLU N N 43 119.711 119.711 129.493 -9.782 19013 9509 1 17 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.501 -0.215 19013 9510 1 17 . 1 1 43 43 GLU C C 43 176.893 176.893 177.214 -0.321 19013 9511 1 17 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.776 0.817 19013 9512 1 17 . 1 1 43 43 GLU CB C 43 30.441 30.441 28.970 1.471 19013 9513 1 17 . 1 1 44 44 LEU N N 44 117.788 117.788 119.370 -1.582 19013 9514 1 17 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.615 -0.261 19013 9515 1 17 . 1 1 44 44 LEU C C 44 177.944 177.944 177.477 0.467 19013 9516 1 17 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.755 0.186 19013 9517 1 17 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.618 -1.243 19013 9518 1 17 . 1 1 45 45 GLY N N 45 108.349 108.349 109.810 -1.461 19013 9519 1 17 . 1 1 45 45 GLY C C 45 173.791 173.791 173.770 0.021 19013 9520 1 17 . 1 1 45 45 GLY CA C 45 45.637 45.637 44.596 1.042 19013 9521 1 17 . 1 1 46 46 ASP N N 46 119.869 119.869 123.248 -3.379 19013 9522 1 17 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.312 0.377 19013 9523 1 17 . 1 1 46 46 ASP C C 46 176.628 176.628 176.185 0.443 19013 9524 1 17 . 1 1 46 46 ASP CA C 46 54.021 54.021 55.058 -1.037 19013 9525 1 17 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.761 0.335 19013 9526 1 17 . 1 1 47 47 THR N N 47 113.962 113.962 111.561 2.401 19013 9527 1 17 . 1 1 47 47 THR HA H 47 4.258 4.258 3.930 0.328 19013 9528 1 17 . 1 1 47 47 THR C C 47 175.277 175.277 175.227 0.050 19013 9529 1 17 . 1 1 47 47 THR CA C 47 62.715 62.715 63.377 -0.662 19013 9530 1 17 . 1 1 47 47 THR CB C 47 69.504 69.504 68.238 1.266 19013 9531 1 17 . 1 1 48 48 GLU N N 48 121.748 121.748 120.848 0.900 19013 9532 1 17 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.033 0.202 19013 9533 1 17 . 1 1 48 48 GLU C C 48 177.221 177.221 177.791 -0.570 19013 9534 1 17 . 1 1 48 48 GLU CA C 48 57.505 57.505 59.113 -1.608 19013 9535 1 17 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.747 -0.029 19013 9536 1 17 . 1 1 49 49 THR N N 49 113.781 113.781 109.297 4.484 19013 9537 1 17 . 1 1 49 49 THR HA H 49 4.160 4.160 4.126 0.034 19013 9538 1 17 . 1 1 49 49 THR C C 49 174.979 174.979 174.588 0.391 19013 9539 1 17 . 1 1 49 49 THR CA C 49 62.989 62.989 63.120 -0.131 19013 9540 1 17 . 1 1 49 49 THR CB C 49 69.198 69.198 68.202 0.996 19013 9541 1 17 . 1 1 50 50 MET N N 50 121.133 121.133 118.590 2.543 19013 9542 1 17 . 1 1 50 50 MET HA H 50 4.295 4.295 4.694 -0.399 19013 9543 1 17 . 1 1 50 50 MET C C 50 175.846 175.846 175.865 -0.019 19013 9544 1 17 . 1 1 50 50 MET CA C 50 55.981 55.981 53.761 2.220 19013 9545 1 17 . 1 1 50 50 MET CB C 50 32.549 32.549 31.761 0.788 19013 9546 1 17 . 1 1 51 51 ARG N N 51 120.641 120.641 117.627 3.014 19013 9547 1 17 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.515 -0.177 19013 9548 1 17 . 1 1 51 51 ARG C C 51 176.213 176.213 174.758 1.455 19013 9549 1 17 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.844 1.035 19013 9550 1 17 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.636 -1.030 19013 9551 1 17 . 1 1 52 52 THR N N 52 116.663 116.663 108.989 7.674 19013 9552 1 17 . 1 1 52 52 THR HA H 52 4.564 4.564 4.677 -0.113 19013 9553 1 17 . 1 1 52 52 THR C C 52 172.814 172.814 172.721 0.093 19013 9554 1 17 . 1 1 52 52 THR CA C 52 59.828 59.828 58.296 1.532 19013 9555 1 17 . 1 1 52 52 THR CB C 52 69.498 69.498 70.326 -0.828 19013 9556 1 17 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.370 -0.030 19013 9557 1 17 . 1 1 53 53 PRO C C 53 177.518 177.518 176.685 0.833 19013 9558 1 17 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.520 0.470 19013 9559 1 17 . 1 1 53 53 PRO CB C 53 31.917 31.917 32.059 -0.142 19013 9560 1 17 . 1 1 54 54 GLY N N 54 108.804 108.804 105.347 3.457 19013 9561 1 17 . 1 1 54 54 GLY C C 54 174.121 174.121 172.761 1.360 19013 9562 1 17 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.792 0.577 19013 9563 1 17 . 1 1 55 55 TYR N N 55 119.872 119.872 118.215 1.657 19013 9564 1 17 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.780 -0.420 19013 9565 1 17 . 1 1 55 55 TYR C C 55 175.550 175.550 172.748 2.802 19013 9566 1 17 . 1 1 55 55 TYR CA C 55 58.508 58.508 55.432 3.076 19013 9567 1 17 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.272 -0.365 19013 9568 1 17 . 1 1 56 56 PHE N N 56 121.248 121.248 119.160 2.088 19013 9569 1 17 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.954 -0.525 19013 9570 1 17 . 1 1 56 56 PHE C C 56 175.354 175.354 175.719 -0.365 19013 9571 1 17 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.840 1.298 19013 9572 1 17 . 1 1 56 56 PHE CB C 56 39.513 39.513 41.357 -1.844 19013 9573 1 17 . 1 1 57 57 PHE N N 57 121.226 121.226 118.607 2.619 19013 9574 1 17 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.786 -0.313 19013 9575 1 17 . 1 1 57 57 PHE C C 57 175.182 175.182 175.672 -0.490 19013 9576 1 17 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.991 0.835 19013 9577 1 17 . 1 1 57 57 PHE CB C 57 39.529 39.529 40.479 -0.950 19013 9578 1 17 . 1 1 58 58 GLN N N 58 121.160 121.160 116.166 4.994 19013 9579 1 17 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.818 0.414 19013 9580 1 17 . 1 1 58 58 GLN C C 58 175.287 175.287 174.802 0.485 19013 9581 1 17 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.464 -0.058 19013 9582 1 17 . 1 1 58 58 GLN CB C 58 29.477 29.477 27.479 1.998 19013 9583 1 17 . 1 1 59 59 GLN N N 59 120.923 120.923 123.312 -2.389 19013 9584 1 17 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.308 -0.022 19013 9585 1 17 . 1 1 59 59 GLN C C 59 175.318 175.318 174.610 0.708 19013 9586 1 17 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.223 -0.926 19013 9587 1 17 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.460 0.959 19013 9588 1 17 . 1 1 60 60 ALA N N 60 126.737 126.737 128.921 -2.184 19013 9589 1 17 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.717 -0.181 19013 9590 1 17 . 1 1 60 60 ALA C C 60 175.924 175.924 175.226 0.698 19013 9591 1 17 . 1 1 60 60 ALA CA C 60 50.682 50.682 50.285 0.397 19013 9592 1 17 . 1 1 60 60 ALA CB C 60 18.173 18.173 20.076 -1.903 19013 9593 1 17 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.313 0.091 19013 9594 1 17 . 1 1 61 61 PRO C C 61 176.902 176.902 176.546 0.356 19013 9595 1 17 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.414 -0.865 19013 9596 1 17 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.069 -0.088 19013 9597 1 17 . 1 1 62 62 ASN N N 62 116.490 116.490 111.313 5.177 19013 9598 1 17 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.638 -0.038 19013 9599 1 17 . 1 1 62 62 ASN C C 62 174.942 174.942 175.557 -0.615 19013 9600 1 17 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.390 -0.091 19013 9601 1 17 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.341 -0.320 19013 9602 1 17 . 1 1 63 63 ARG N N 63 120.117 120.117 119.395 0.722 19013 9603 1 17 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.591 -0.230 19013 9604 1 17 . 1 1 63 63 ARG C C 63 175.853 175.853 175.073 0.780 19013 9605 1 17 . 1 1 63 63 ARG CA C 63 55.555 55.555 53.483 2.072 19013 9606 1 17 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.801 -1.716 19013 9607 1 17 . 1 1 64 64 ARG N N 64 123.061 123.061 121.734 1.327 19013 9608 1 17 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.224 0.076 19013 9609 1 17 . 1 1 64 64 ARG C C 64 175.995 175.995 177.009 -1.014 19013 9610 1 17 . 1 1 64 64 ARG CA C 64 56.003 56.003 57.279 -1.276 19013 9611 1 17 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.833 0.647 19013 9612 1 17 . 1 1 65 65 ARG N N 65 123.698 123.698 122.404 1.294 19013 9613 1 17 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.379 0.197 19013 9614 1 17 . 1 1 65 65 ARG C C 65 176.085 176.085 176.404 -0.319 19013 9615 1 17 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.517 -2.069 19013 9616 1 17 . 1 1 65 65 ARG CB C 65 31.155 31.155 31.074 0.081 19013 9617 1 17 . 1 1 66 66 ILE N N 66 120.928 120.928 115.893 5.035 19013 9618 1 17 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.439 -0.004 19013 9619 1 17 . 1 1 66 66 ILE C C 66 175.488 175.488 174.859 0.629 19013 9620 1 17 . 1 1 66 66 ILE CA C 66 60.214 60.214 58.843 1.371 19013 9621 1 17 . 1 1 66 66 ILE CB C 66 40.154 40.154 41.047 -0.893 19013 9622 1 17 . 1 1 67 67 SER N N 67 119.534 119.534 121.823 -2.289 19013 9623 1 17 . 1 1 67 67 SER HA H 67 4.431 4.431 4.247 0.184 19013 9624 1 17 . 1 1 67 67 SER C C 67 174.034 174.034 174.763 -0.729 19013 9625 1 17 . 1 1 67 67 SER CA C 67 58.599 58.599 61.762 -3.163 19013 9626 1 17 . 1 1 67 67 SER CB C 67 63.499 63.499 63.389 0.110 19013 9627 1 17 . 1 1 68 68 ARG N N 68 124.936 124.936 119.680 5.256 19013 9628 1 17 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.370 0.205 19013 9629 1 17 . 1 1 68 68 ARG C C 68 175.967 175.967 175.109 0.858 19013 9630 1 17 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.592 0.862 19013 9631 1 17 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.572 0.901 19013 9632 1 17 . 1 1 69 69 GLU N N 69 136.462 136.462 121.020 15.442 19013 9633 1 17 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.179 0.326 19013 9634 1 17 . 1 1 69 69 GLU C C 69 174.852 174.852 175.414 -0.562 19013 9635 1 17 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.642 -0.448 19013 9636 1 17 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.183 -0.382 19013 9637 1 17 . 1 1 70 70 HIS N N 70 120.728 120.728 124.348 -3.620 19013 9638 1 17 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.345 -0.609 19013 9639 1 17 . 1 1 70 70 HIS C C 70 171.455 171.455 174.327 -2.872 19013 9640 1 17 . 1 1 70 70 HIS CA C 70 54.574 54.574 55.254 -0.680 19013 9641 1 17 . 1 1 70 70 HIS CB C 70 31.116 31.116 31.143 -0.027 19013 9642 1 17 . 1 1 71 71 GLY N N 71 108.698 108.698 113.697 -4.999 19013 9643 1 17 . 1 1 71 71 GLY C C 71 174.611 174.611 173.533 1.078 19013 9644 1 17 . 1 1 71 71 GLY CA C 71 43.064 43.064 44.348 -1.284 19013 9645 1 17 . 1 1 72 72 ARG N N 72 123.350 123.350 119.123 4.227 19013 9646 1 17 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.218 -0.023 19013 9647 1 17 . 1 1 72 72 ARG C C 72 178.495 178.495 177.299 1.196 19013 9648 1 17 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.693 2.503 19013 9649 1 17 . 1 1 72 72 ARG CB C 72 30.822 30.822 29.920 0.902 19013 9650 1 17 . 1 1 73 73 THR N N 73 103.467 103.467 107.739 -4.272 19013 9651 1 17 . 1 1 73 73 THR HA H 73 4.196 4.196 4.523 -0.327 19013 9652 1 17 . 1 1 73 73 THR C C 73 171.300 171.300 172.994 -1.694 19013 9653 1 17 . 1 1 73 73 THR CA C 73 59.336 59.336 62.375 -3.039 19013 9654 1 17 . 1 1 73 73 THR CB C 73 69.837 69.837 69.519 0.318 19013 9655 1 17 . 1 1 74 74 TRP N N 74 112.582 112.582 120.439 -7.857 19013 9656 1 17 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.523 0.184 19013 9657 1 17 . 1 1 74 74 TRP C C 74 176.667 176.667 174.401 2.266 19013 9658 1 17 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.664 0.218 19013 9659 1 17 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.308 1.552 19013 9660 1 17 . 1 1 75 75 THR N N 75 114.629 114.629 119.599 -4.970 19013 9661 1 17 . 1 1 75 75 THR HA H 75 4.594 4.594 4.688 -0.094 19013 9662 1 17 . 1 1 75 75 THR C C 75 170.237 170.237 173.000 -2.763 19013 9663 1 17 . 1 1 75 75 THR CA C 75 61.354 61.354 61.769 -0.415 19013 9664 1 17 . 1 1 75 75 THR CB C 75 69.887 69.887 72.087 -2.200 19013 9665 1 17 . 1 1 76 76 LYS N N 76 130.596 130.596 129.402 1.194 19013 9666 1 17 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.091 0.631 19013 9667 1 17 . 1 1 76 76 LYS C C 76 177.934 177.934 175.616 2.318 19013 9668 1 17 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.621 0.419 19013 9669 1 17 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.659 1.511 19013 9670 1 17 . 1 1 77 77 LEU N N 77 128.006 128.006 129.447 -1.441 19013 9671 1 17 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.562 -0.275 19013 9672 1 17 . 1 1 77 77 LEU C C 77 174.557 174.557 175.515 -0.958 19013 9673 1 17 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.068 1.230 19013 9674 1 17 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.193 2.907 19013 9675 1 17 . 1 1 78 78 THR N N 78 123.666 123.666 120.302 3.364 19013 9676 1 17 . 1 1 78 78 THR HA H 78 4.435 4.435 4.628 -0.193 19013 9677 1 17 . 1 1 78 78 THR C C 78 174.067 174.067 173.862 0.205 19013 9678 1 17 . 1 1 78 78 THR CA C 78 62.500 62.500 62.047 0.453 19013 9679 1 17 . 1 1 78 78 THR CB C 78 67.902 67.902 69.468 -1.565 19013 9680 1 17 . 1 1 79 79 TYR N N 79 125.290 125.290 126.671 -1.381 19013 9681 1 17 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.605 0.347 19013 9682 1 17 . 1 1 79 79 TYR C C 79 176.523 176.523 175.643 0.880 19013 9683 1 17 . 1 1 79 79 TYR CA C 79 59.379 59.379 57.740 1.639 19013 9684 1 17 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.401 0.418 19013 9685 1 17 . 1 1 80 80 ALA N N 80 121.971 121.971 119.373 2.598 19013 9686 1 17 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.955 0.105 19013 9687 1 17 . 1 1 80 80 ALA C C 80 177.255 177.255 175.820 1.435 19013 9688 1 17 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.529 0.401 19013 9689 1 17 . 1 1 80 80 ALA CB C 80 19.186 19.186 18.363 0.823 19013 9690 1 17 . 1 1 81 81 ASN N N 81 112.786 112.786 116.422 -3.636 19013 9691 1 17 . 1 1 81 81 ASN HA H 81 5.097 5.097 5.032 0.065 19013 9692 1 17 . 1 1 81 81 ASN C C 81 175.438 175.438 175.377 0.061 19013 9693 1 17 . 1 1 81 81 ASN CA C 81 51.488 51.488 51.521 -0.033 19013 9694 1 17 . 1 1 81 81 ASN CB C 81 41.430 41.430 40.665 0.765 19013 9695 1 17 . 1 1 82 82 HIS N N 82 123.560 123.560 124.630 -1.070 19013 9696 1 17 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.308 -0.021 19013 9697 1 17 . 1 1 82 82 HIS C C 82 176.494 176.494 176.910 -0.416 19013 9698 1 17 . 1 1 82 82 HIS CA C 82 59.091 59.091 60.631 -1.540 19013 9699 1 17 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.406 -1.843 19013 9700 1 17 . 1 1 83 83 SER N N 83 114.623 114.623 114.263 0.360 19013 9701 1 17 . 1 1 83 83 SER HA H 83 4.095 4.095 4.212 -0.117 19013 9702 1 17 . 1 1 83 83 SER C C 83 177.619 177.619 176.980 0.639 19013 9703 1 17 . 1 1 83 83 SER CA C 83 61.637 61.637 61.102 0.535 19013 9704 1 17 . 1 1 83 83 SER CB C 83 61.644 61.644 62.886 -1.242 19013 9705 1 17 . 1 1 84 84 SER N N 84 120.863 120.863 116.750 4.113 19013 9706 1 17 . 1 1 84 84 SER HA H 84 3.935 3.935 4.184 -0.249 19013 9707 1 17 . 1 1 84 84 SER C C 84 173.466 173.466 176.442 -2.976 19013 9708 1 17 . 1 1 84 84 SER CA C 84 62.250 62.250 61.208 1.042 19013 9709 1 17 . 1 1 84 84 SER CB C 84 62.700 62.700 62.819 -0.119 19013 9710 1 17 . 1 1 85 85 TYR N N 85 122.263 122.263 123.798 -1.535 19013 9711 1 17 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.275 -0.506 19013 9712 1 17 . 1 1 85 85 TYR C C 85 175.010 175.010 177.370 -2.360 19013 9713 1 17 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.449 -0.776 19013 9714 1 17 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.535 -0.909 19013 9715 1 17 . 1 1 86 86 LEU N N 86 117.366 117.366 118.596 -1.230 19013 9716 1 17 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.858 -0.321 19013 9717 1 17 . 1 1 86 86 LEU C C 86 179.942 179.942 178.972 0.970 19013 9718 1 17 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.186 0.083 19013 9719 1 17 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.788 -0.094 19013 9720 1 17 . 1 1 87 87 ARG N N 87 118.578 118.578 118.752 -0.174 19013 9721 1 17 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.082 -0.234 19013 9722 1 17 . 1 1 87 87 ARG C C 87 178.784 178.784 178.671 0.113 19013 9723 1 17 . 1 1 87 87 ARG CA C 87 57.441 57.441 59.056 -1.615 19013 9724 1 17 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.788 -0.847 19013 9725 1 17 . 1 1 88 88 ALA N N 88 123.868 123.868 123.001 0.867 19013 9726 1 17 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.056 -0.513 19013 9727 1 17 . 1 1 88 88 ALA C C 88 179.517 179.517 178.412 1.105 19013 9728 1 17 . 1 1 88 88 ALA CA C 88 55.414 55.414 54.632 0.782 19013 9729 1 17 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.404 -0.261 19013 9730 1 17 . 1 1 89 89 LEU N N 89 114.573 114.573 117.108 -2.535 19013 9731 1 17 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.194 -0.270 19013 9732 1 17 . 1 1 89 89 LEU C C 89 180.088 180.088 176.630 3.458 19013 9733 1 17 . 1 1 89 89 LEU CA C 89 57.417 57.417 55.113 2.304 19013 9734 1 17 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.323 0.563 19013 9735 1 17 . 1 1 90 90 ARG N N 90 116.735 116.735 120.495 -3.760 19013 9736 1 17 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.216 -0.084 19013 9737 1 17 . 1 1 90 90 ARG C C 90 177.429 177.429 177.085 0.344 19013 9738 1 17 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.773 1.026 19013 9739 1 17 . 1 1 90 90 ARG CB C 90 29.834 29.834 31.062 -1.228 19013 9740 1 17 . 1 1 91 91 GLU N N 91 115.787 115.787 122.962 -7.175 19013 9741 1 17 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.245 -0.098 19013 9742 1 17 . 1 1 91 91 GLU C C 91 176.303 176.303 176.576 -0.273 19013 9743 1 17 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.728 -2.392 19013 9744 1 17 . 1 1 91 91 GLU CB C 91 29.705 29.705 29.416 0.288 19013 9745 1 17 . 1 1 92 92 HIS N N 92 118.997 118.997 115.809 3.188 19013 9746 1 17 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.430 -0.159 19013 9747 1 17 . 1 1 92 92 HIS C C 92 176.823 176.823 176.553 0.270 19013 9748 1 17 . 1 1 92 92 HIS CA C 92 59.453 59.453 57.447 2.006 19013 9749 1 17 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.336 1.476 19013 9750 1 17 . 1 1 93 93 GLY N N 93 116.944 116.944 106.219 10.725 19013 9751 1 17 . 1 1 93 93 GLY C C 93 174.512 174.512 174.697 -0.185 19013 9752 1 17 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.641 -0.665 19013 9753 1 17 . 1 1 94 94 THR N N 94 117.838 117.838 113.377 4.461 19013 9754 1 17 . 1 1 94 94 THR HA H 94 4.059 4.059 3.892 0.167 19013 9755 1 17 . 1 1 94 94 THR C C 94 172.656 172.656 173.920 -1.264 19013 9756 1 17 . 1 1 94 94 THR CA C 94 63.330 63.330 64.080 -0.750 19013 9757 1 17 . 1 1 94 94 THR CB C 94 69.936 69.936 68.647 1.290 19013 9758 1 17 . 1 1 95 95 ILE N N 95 124.155 124.155 122.762 1.393 19013 9759 1 17 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.153 0.235 19013 9760 1 17 . 1 1 95 95 ILE C C 95 175.534 175.534 175.196 0.338 19013 9761 1 17 . 1 1 95 95 ILE CA C 95 59.777 59.777 61.946 -2.169 19013 9762 1 17 . 1 1 95 95 ILE CB C 95 35.990 35.990 36.966 -0.976 19013 9763 1 17 . 1 1 96 96 TYR N N 96 130.370 130.370 129.091 1.279 19013 9764 1 17 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.679 -0.116 19013 9765 1 17 . 1 1 96 96 TYR C C 96 174.539 174.539 175.823 -1.284 19013 9766 1 17 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.491 -1.035 19013 9767 1 17 . 1 1 96 96 TYR CB C 96 41.727 41.727 40.596 1.131 19013 9768 1 17 . 1 1 97 97 CYS N N 97 123.936 123.936 124.886 -0.950 19013 9769 1 17 . 1 1 97 97 CYS HA H 97 3.658 3.658 4.098 -0.440 19013 9770 1 17 . 1 1 97 97 CYS C C 97 175.798 175.798 174.677 1.121 19013 9771 1 17 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.486 0.334 19013 9772 1 17 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.101 -1.622 19013 9773 1 17 . 1 1 98 98 GLY N N 98 103.268 103.268 107.104 -3.836 19013 9774 1 17 . 1 1 98 98 GLY C C 98 173.270 173.270 172.842 0.428 19013 9775 1 17 . 1 1 98 98 GLY CA C 98 45.312 45.312 45.330 -0.018 19013 9776 1 17 . 1 1 99 99 ALA N N 99 123.511 123.511 123.565 -0.054 19013 9777 1 17 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.796 -0.101 19013 9778 1 17 . 1 1 99 99 ALA C C 99 175.215 175.215 175.689 -0.474 19013 9779 1 17 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.747 0.031 19013 9780 1 17 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.665 0.090 19013 9781 1 17 . 1 1 100 100 ALA N N 100 124.957 124.957 123.299 1.658 19013 9782 1 17 . 1 1 100 100 ALA HA H 100 4.633 4.633 4.695 -0.062 19013 9783 1 17 . 1 1 100 100 ALA C C 100 177.477 177.477 177.326 0.151 19013 9784 1 17 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.325 0.198 19013 9785 1 17 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.604 -1.435 19013 9786 1 17 . 1 1 101 101 ILE N N 101 121.598 121.598 120.381 1.217 19013 9787 1 17 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.081 0.374 19013 9788 1 17 . 1 1 101 101 ILE C C 101 175.956 175.956 176.425 -0.469 19013 9789 1 17 . 1 1 101 101 ILE CA C 101 59.964 59.964 61.406 -1.442 19013 9790 1 17 . 1 1 101 101 ILE CB C 101 39.835 39.835 37.660 2.175 19013 9791 1 17 . 1 1 102 102 GLY N N 102 113.717 113.717 115.934 -2.217 19013 9792 1 17 . 1 1 102 102 GLY C C 102 172.857 172.857 172.388 0.469 19013 9793 1 17 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.876 -1.432 19013 9794 1 17 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.255 0.279 19013 9795 1 17 . 1 1 103 103 CYS C C 103 172.624 172.624 174.631 -2.007 19013 9796 1 17 . 1 1 103 103 CYS CA C 103 58.703 58.703 57.638 1.065 19013 9797 1 17 . 1 1 103 103 CYS CB C 103 27.343 27.343 28.452 -1.109 19013 9798 1 17 . 1 1 104 104 VAL N N 104 118.519 118.519 121.101 -2.582 19013 9799 1 17 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.858 0.047 19013 9800 1 17 . 1 1 104 104 VAL C C 104 172.705 172.705 173.600 -0.895 19013 9801 1 17 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.120 -0.707 19013 9802 1 17 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.010 0.093 19013 9803 1 17 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.561 0.054 19013 9804 1 17 . 1 1 105 105 PRO C C 105 176.557 176.557 176.036 0.521 19013 9805 1 17 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.072 0.482 19013 9806 1 17 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.319 0.346 19013 9807 1 17 . 1 1 106 106 TYR N N 106 121.923 121.923 124.406 -2.483 19013 9808 1 17 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.327 -0.497 19013 9809 1 17 . 1 1 106 106 TYR C C 106 174.643 174.643 175.182 -0.539 19013 9810 1 17 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.099 0.919 19013 9811 1 17 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.608 0.779 19013 9812 1 17 . 1 1 107 107 LYS N N 107 124.087 124.087 128.830 -4.743 19013 9813 1 17 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.508 -0.327 19013 9814 1 17 . 1 1 107 107 LYS C C 107 176.443 176.443 175.862 0.581 19013 9815 1 17 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.553 0.224 19013 9816 1 17 . 1 1 107 107 LYS CB C 107 35.925 35.925 33.779 2.146 19013 9817 1 17 . 1 1 108 108 HIS N N 108 124.171 124.171 125.853 -1.682 19013 9818 1 17 . 1 1 108 108 HIS HA H 108 3.960 3.960 3.916 0.044 19013 9819 1 17 . 1 1 108 108 HIS C C 108 176.998 176.998 177.042 -0.044 19013 9820 1 17 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.428 -0.829 19013 9821 1 17 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.008 -1.460 19013 9822 1 17 . 1 1 109 109 GLU N N 109 118.941 118.941 119.938 -0.997 19013 9823 1 17 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.998 -0.085 19013 9824 1 17 . 1 1 109 109 GLU C C 109 177.738 177.738 178.798 -1.060 19013 9825 1 17 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.226 0.111 19013 9826 1 17 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.731 -0.012 19013 9827 1 17 . 1 1 110 110 LEU N N 110 118.555 118.555 119.983 -1.428 19013 9828 1 17 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.887 0.114 19013 9829 1 17 . 1 1 110 110 LEU C C 110 177.872 177.872 178.151 -0.279 19013 9830 1 17 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.484 -1.111 19013 9831 1 17 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.476 0.479 19013 9832 1 17 . 1 1 111 111 ILE N N 111 117.129 117.129 118.472 -1.343 19013 9833 1 17 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.196 -0.226 19013 9834 1 17 . 1 1 111 111 ILE C C 111 178.773 178.773 178.320 0.453 19013 9835 1 17 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.768 -1.030 19013 9836 1 17 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.913 -0.495 19013 9837 1 17 . 1 1 112 112 SER N N 112 116.165 116.165 115.811 0.354 19013 9838 1 17 . 1 1 112 112 SER HA H 112 4.000 4.000 3.902 0.098 19013 9839 1 17 . 1 1 112 112 SER C C 112 176.313 176.313 176.431 -0.118 19013 9840 1 17 . 1 1 112 112 SER CA C 112 61.433 61.433 62.235 -0.802 19013 9841 1 17 . 1 1 112 112 SER CB C 112 62.188 62.188 62.875 -0.687 19013 9842 1 17 . 1 1 113 113 GLU N N 113 120.732 120.732 121.559 -0.827 19013 9843 1 17 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.848 0.138 19013 9844 1 17 . 1 1 113 113 GLU C C 113 178.799 178.799 178.852 -0.053 19013 9845 1 17 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.395 -0.874 19013 9846 1 17 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.575 -0.192 19013 9847 1 17 . 1 1 114 114 LEU N N 114 119.452 119.452 119.529 -0.077 19013 9848 1 17 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.736 -0.013 19013 9849 1 17 . 1 1 114 114 LEU C C 114 179.184 179.184 179.394 -0.210 19013 9850 1 17 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.213 -0.529 19013 9851 1 17 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.156 -1.169 19013 9852 1 17 . 1 1 115 115 SER N N 115 112.708 112.708 114.086 -1.378 19013 9853 1 17 . 1 1 115 115 SER HA H 115 4.615 4.615 4.373 0.242 19013 9854 1 17 . 1 1 115 115 SER C C 115 174.994 174.994 176.021 -1.027 19013 9855 1 17 . 1 1 115 115 SER CA C 115 59.706 59.706 61.245 -1.538 19013 9856 1 17 . 1 1 115 115 SER CB C 115 63.512 63.512 63.229 0.283 19013 9857 1 17 . 1 1 116 116 ARG N N 116 121.600 121.600 120.186 1.414 19013 9858 1 17 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.108 0.133 19013 9859 1 17 . 1 1 116 116 ARG C C 116 176.893 176.893 176.810 0.083 19013 9860 1 17 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.656 -0.634 19013 9861 1 17 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.726 -0.563 19013 9862 1 17 . 1 1 117 117 GLU N N 117 120.450 120.450 118.268 2.182 19013 9863 1 17 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.955 0.285 19013 9864 1 17 . 1 1 117 117 GLU C C 117 177.260 177.260 176.097 1.163 19013 9865 1 17 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.240 -0.198 19013 9866 1 17 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.237 1.526 19013 9867 1 17 . 1 1 118 118 GLY N N 118 108.905 108.905 104.255 4.650 19013 9868 1 17 . 1 1 118 118 GLY C C 118 174.225 174.225 173.621 0.604 19013 9869 1 17 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.720 0.663 19013 9870 1 17 . 1 1 119 119 HIS N N 119 117.625 117.625 121.783 -4.158 19013 9871 1 17 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.351 0.308 19013 9872 1 17 . 1 1 119 119 HIS C C 119 174.439 174.439 173.909 0.530 19013 9873 1 17 . 1 1 119 119 HIS CA C 119 55.413 55.413 56.436 -1.023 19013 9874 1 17 . 1 1 119 119 HIS CB C 119 28.904 28.904 29.528 -0.624 19013 9875 1 17 . 1 1 120 120 HIS N N 120 119.015 119.015 122.715 -3.700 19013 9876 1 17 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.575 0.097 19013 9877 1 17 . 1 1 120 120 HIS C C 120 174.259 174.259 174.792 -0.533 19013 9878 1 17 . 1 1 120 120 HIS CA C 120 55.321 55.321 54.246 1.075 19013 9879 1 17 . 1 1 120 120 HIS CB C 120 29.098 29.098 31.475 -2.377 19013 9880 1 17 . 1 1 121 121 HIS N N 121 119.872 119.872 117.156 2.716 19013 9881 1 17 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.544 0.136 19013 9882 1 17 . 1 1 121 121 HIS C C 121 174.245 174.245 174.677 -0.432 19013 9883 1 17 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.397 -0.008 19013 9884 1 17 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.118 -1.859 19013 9885 1 17 . 1 1 122 122 HIS N N 122 120.597 120.597 121.496 -0.899 19013 9886 1 17 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.590 0.097 19013 9887 1 17 . 1 1 122 122 HIS C C 122 174.101 174.101 175.649 -1.548 19013 9888 1 17 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.627 -1.241 19013 9889 1 17 . 1 1 122 122 HIS CB C 122 29.349 29.349 29.721 -0.371 19013 9890 1 17 . 1 1 123 123 HIS N N 123 120.680 120.680 122.498 -1.818 19013 9891 1 17 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.545 0.111 19013 9892 1 17 . 1 1 123 123 HIS C C 123 173.591 173.591 174.841 -1.250 19013 9893 1 17 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.435 -0.872 19013 9894 1 17 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.438 -0.982 19013 9895 1 18 . 1 1 2 2 SER HA H 2 4.167 4.167 4.528 -0.361 19013 9896 1 18 . 1 1 2 2 SER C C 2 170.960 170.960 174.454 -3.494 19013 9897 1 18 . 1 1 2 2 SER CA C 2 57.139 57.139 57.861 -0.722 19013 9898 1 18 . 1 1 2 2 SER CB C 2 63.027 63.027 63.076 -0.049 19013 9899 1 18 . 1 1 3 3 LEU N N 3 123.102 123.102 124.972 -1.870 19013 9900 1 18 . 1 1 3 3 LEU HA H 3 4.415 4.415 3.873 0.542 19013 9901 1 18 . 1 1 3 3 LEU C C 3 177.886 177.886 178.114 -0.228 19013 9902 1 18 . 1 1 3 3 LEU CA C 3 55.625 55.625 56.864 -1.239 19013 9903 1 18 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.090 1.244 19013 9904 1 18 . 1 1 4 4 GLY N N 4 110.546 110.546 104.371 6.175 19013 9905 1 18 . 1 1 4 4 GLY C C 4 174.473 174.473 175.080 -0.607 19013 9906 1 18 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.686 0.584 19013 9907 1 18 . 1 1 5 5 SER N N 5 115.839 115.839 116.403 -0.564 19013 9908 1 18 . 1 1 5 5 SER HA H 5 4.472 4.472 4.129 0.343 19013 9909 1 18 . 1 1 5 5 SER C C 5 175.085 175.085 174.453 0.632 19013 9910 1 18 . 1 1 5 5 SER CA C 5 58.419 58.419 60.078 -1.659 19013 9911 1 18 . 1 1 5 5 SER CB C 5 63.648 63.648 61.796 1.852 19013 9912 1 18 . 1 1 6 6 GLU N N 6 122.855 122.855 122.079 0.776 19013 9913 1 18 . 1 1 6 6 GLU HA H 6 4.340 4.340 3.952 0.388 19013 9914 1 18 . 1 1 6 6 GLU C C 6 176.767 176.767 175.357 1.410 19013 9915 1 18 . 1 1 6 6 GLU CA C 6 57.020 57.020 57.338 -0.318 19013 9916 1 18 . 1 1 6 6 GLU CB C 6 29.785 29.785 28.949 0.836 19013 9917 1 18 . 1 1 7 7 SER N N 7 116.046 116.046 114.687 1.359 19013 9918 1 18 . 1 1 7 7 SER HA H 7 4.444 4.444 4.529 -0.085 19013 9919 1 18 . 1 1 7 7 SER C C 7 174.946 174.946 174.205 0.741 19013 9920 1 18 . 1 1 7 7 SER CA C 7 58.587 58.587 57.953 0.634 19013 9921 1 18 . 1 1 7 7 SER CB C 7 63.645 63.645 65.231 -1.586 19013 9922 1 18 . 1 1 8 8 GLU N N 8 122.758 122.758 119.354 3.404 19013 9923 1 18 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.141 0.231 19013 9924 1 18 . 1 1 8 8 GLU C C 8 176.929 176.929 176.401 0.528 19013 9925 1 18 . 1 1 8 8 GLU CA C 8 56.902 56.902 57.458 -0.556 19013 9926 1 18 . 1 1 8 8 GLU CB C 8 29.837 29.837 28.457 1.380 19013 9927 1 18 . 1 1 9 9 THR N N 9 113.221 113.221 109.486 3.735 19013 9928 1 18 . 1 1 9 9 THR HA H 9 4.295 4.295 4.017 0.278 19013 9929 1 18 . 1 1 9 9 THR C C 9 175.371 175.371 175.370 0.001 19013 9930 1 18 . 1 1 9 9 THR CA C 9 62.279 62.279 65.117 -2.837 19013 9931 1 18 . 1 1 9 9 THR CB C 9 69.828 69.828 68.051 1.777 19013 9932 1 18 . 1 1 10 10 GLY N N 10 110.774 110.774 112.582 -1.808 19013 9933 1 18 . 1 1 10 10 GLY C C 10 173.283 173.283 173.390 -0.107 19013 9934 1 18 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.727 -0.996 19013 9935 1 18 . 1 1 11 11 ASN N N 11 116.215 116.215 119.955 -3.740 19013 9936 1 18 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.562 -0.295 19013 9937 1 18 . 1 1 11 11 ASN C C 11 174.352 174.352 174.633 -0.281 19013 9938 1 18 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.377 0.090 19013 9939 1 18 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.734 0.749 19013 9940 1 18 . 1 1 12 12 ALA N N 12 121.979 121.979 123.157 -1.178 19013 9941 1 18 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.160 0.825 19013 9942 1 18 . 1 1 12 12 ALA C C 12 177.325 177.325 176.170 1.155 19013 9943 1 18 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.418 -0.881 19013 9944 1 18 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.517 1.313 19013 9945 1 18 . 1 1 13 13 VAL N N 13 116.191 116.191 118.183 -1.992 19013 9946 1 18 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.110 0.216 19013 9947 1 18 . 1 1 13 13 VAL C C 13 175.275 175.275 174.085 1.190 19013 9948 1 18 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.092 -0.329 19013 9949 1 18 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.596 -0.435 19013 9950 1 18 . 1 1 14 14 VAL N N 14 119.334 119.334 122.128 -2.794 19013 9951 1 18 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.830 0.408 19013 9952 1 18 . 1 1 14 14 VAL C C 14 174.716 174.716 175.592 -0.876 19013 9953 1 18 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.730 -0.434 19013 9954 1 18 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.441 1.939 19013 9955 1 18 . 1 1 15 15 VAL N N 15 127.812 127.812 128.520 -0.708 19013 9956 1 18 . 1 1 15 15 VAL HA H 15 5.308 5.308 4.600 0.708 19013 9957 1 18 . 1 1 15 15 VAL C C 15 176.256 176.256 175.342 0.914 19013 9958 1 18 . 1 1 15 15 VAL CA C 15 60.155 60.155 62.255 -2.100 19013 9959 1 18 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.373 0.927 19013 9960 1 18 . 1 1 16 16 PHE N N 16 122.243 122.243 120.476 1.767 19013 9961 1 18 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.702 0.217 19013 9962 1 18 . 1 1 16 16 PHE C C 16 174.623 174.623 175.438 -0.815 19013 9963 1 18 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.403 0.732 19013 9964 1 18 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.180 -0.087 19013 9965 1 18 . 1 1 17 17 GLY N N 17 106.894 106.894 107.338 -0.444 19013 9966 1 18 . 1 1 17 17 GLY C C 17 174.023 174.023 173.522 0.501 19013 9967 1 18 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.458 -0.497 19013 9968 1 18 . 1 1 18 18 TYR N N 18 115.205 115.205 116.612 -1.407 19013 9969 1 18 . 1 1 18 18 TYR HA H 18 4.866 4.866 4.975 -0.109 19013 9970 1 18 . 1 1 18 18 TYR C C 18 173.847 173.847 173.151 0.696 19013 9971 1 18 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.382 -2.217 19013 9972 1 18 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.944 -0.113 19013 9973 1 18 . 1 1 19 19 ARG N N 19 116.814 116.814 120.574 -3.760 19013 9974 1 18 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.694 -0.239 19013 9975 1 18 . 1 1 19 19 ARG C C 19 177.198 177.198 177.242 -0.044 19013 9976 1 18 . 1 1 19 19 ARG CA C 19 54.928 54.928 53.820 1.108 19013 9977 1 18 . 1 1 19 19 ARG CB C 19 30.721 30.721 33.996 -3.275 19013 9978 1 18 . 1 1 20 20 GLU N N 20 125.261 125.261 125.868 -0.607 19013 9979 1 18 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.034 0.023 19013 9980 1 18 . 1 1 20 20 GLU C C 20 180.643 180.643 177.856 2.787 19013 9981 1 18 . 1 1 20 20 GLU CA C 20 59.529 59.529 59.712 -0.183 19013 9982 1 18 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.557 0.306 19013 9983 1 18 . 1 1 21 21 ALA N N 21 119.760 119.760 119.946 -0.186 19013 9984 1 18 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.184 0.170 19013 9985 1 18 . 1 1 21 21 ALA C C 21 179.291 179.291 178.878 0.413 19013 9986 1 18 . 1 1 21 21 ALA CA C 21 54.680 54.680 54.306 0.374 19013 9987 1 18 . 1 1 21 21 ALA CB C 21 19.410 19.410 18.525 0.885 19013 9988 1 18 . 1 1 22 22 ILE N N 22 109.751 109.751 113.318 -3.567 19013 9989 1 18 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.289 0.886 19013 9990 1 18 . 1 1 22 22 ILE C C 22 175.636 175.636 176.286 -0.650 19013 9991 1 18 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.634 -0.403 19013 9992 1 18 . 1 1 22 22 ILE CB C 22 38.445 38.445 36.741 1.704 19013 9993 1 18 . 1 1 23 23 THR N N 23 118.763 118.763 119.514 -0.751 19013 9994 1 18 . 1 1 23 23 THR HA H 23 3.375 3.375 3.848 -0.473 19013 9995 1 18 . 1 1 23 23 THR C C 23 175.159 175.159 176.417 -1.258 19013 9996 1 18 . 1 1 23 23 THR CA C 23 68.267 68.267 67.070 1.197 19013 9997 1 18 . 1 1 23 23 THR CB C 23 69.564 69.564 68.115 1.449 19013 9998 1 18 . 1 1 24 24 LYS N N 24 118.723 118.723 119.981 -1.258 19013 9999 1 18 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.032 -0.369 19013 10000 1 18 . 1 1 24 24 LYS C C 24 178.421 178.421 179.228 -0.807 19013 10001 1 18 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.299 1.755 19013 10002 1 18 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.574 0.207 19013 10003 1 18 . 1 1 25 25 GLN N N 25 118.276 118.276 119.304 -1.028 19013 10004 1 18 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.103 -0.060 19013 10005 1 18 . 1 1 25 25 GLN C C 25 179.248 179.248 179.001 0.247 19013 10006 1 18 . 1 1 25 25 GLN CA C 25 59.680 59.680 59.031 0.649 19013 10007 1 18 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.664 -0.419 19013 10008 1 18 . 1 1 26 26 ILE N N 26 122.000 122.000 119.607 2.393 19013 10009 1 18 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.788 -0.019 19013 10010 1 18 . 1 1 26 26 ILE C C 26 177.797 177.797 177.542 0.255 19013 10011 1 18 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.534 -1.356 19013 10012 1 18 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.156 -2.565 19013 10013 1 18 . 1 1 27 27 LEU N N 27 119.685 119.685 122.778 -3.093 19013 10014 1 18 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.974 -0.056 19013 10015 1 18 . 1 1 27 27 LEU C C 27 178.173 178.173 177.885 0.288 19013 10016 1 18 . 1 1 27 27 LEU CA C 27 58.307 58.307 58.251 0.056 19013 10017 1 18 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.570 -0.483 19013 10018 1 18 . 1 1 28 28 ALA N N 28 118.927 118.927 120.930 -2.003 19013 10019 1 18 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.083 -0.221 19013 10020 1 18 . 1 1 28 28 ALA C C 28 179.693 179.693 178.585 1.108 19013 10021 1 18 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.848 0.054 19013 10022 1 18 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.136 -0.020 19013 10023 1 18 . 1 1 29 29 TYR N N 29 119.687 119.687 117.759 1.928 19013 10024 1 18 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.326 -0.404 19013 10025 1 18 . 1 1 29 29 TYR C C 29 178.234 178.234 177.120 1.114 19013 10026 1 18 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.840 0.296 19013 10027 1 18 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.892 -1.516 19013 10028 1 18 . 1 1 30 30 PHE N N 30 115.353 115.353 117.048 -1.695 19013 10029 1 18 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.542 -0.613 19013 10030 1 18 . 1 1 30 30 PHE C C 30 180.031 180.031 176.813 3.218 19013 10031 1 18 . 1 1 30 30 PHE CA C 30 61.815 61.815 60.165 1.650 19013 10032 1 18 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.600 -1.649 19013 10033 1 18 . 1 1 31 31 ALA N N 31 125.929 125.929 121.873 4.056 19013 10034 1 18 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.254 0.208 19013 10035 1 18 . 1 1 31 31 ALA C C 31 178.235 178.235 178.716 -0.481 19013 10036 1 18 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.462 -0.668 19013 10037 1 18 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.033 -0.551 19013 10038 1 18 . 1 1 32 32 GLN N N 32 113.541 113.541 116.291 -2.750 19013 10039 1 18 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.071 -0.115 19013 10040 1 18 . 1 1 32 32 GLN C C 32 177.465 177.465 176.639 0.826 19013 10041 1 18 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.024 -1.065 19013 10042 1 18 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.815 0.270 19013 10043 1 18 . 1 1 33 33 PHE N N 33 114.638 114.638 113.059 1.579 19013 10044 1 18 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.705 -0.055 19013 10045 1 18 . 1 1 33 33 PHE C C 33 175.848 175.848 174.453 1.395 19013 10046 1 18 . 1 1 33 33 PHE CA C 33 57.066 57.066 58.413 -1.347 19013 10047 1 18 . 1 1 33 33 PHE CB C 33 37.930 37.930 42.514 -4.584 19013 10048 1 18 . 1 1 34 34 GLY N N 34 106.452 106.452 106.550 -0.098 19013 10049 1 18 . 1 1 34 34 GLY C C 34 170.428 170.428 172.768 -2.340 19013 10050 1 18 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.534 -0.970 19013 10051 1 18 . 1 1 35 35 GLU N N 35 118.228 118.228 126.726 -8.498 19013 10052 1 18 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.237 -0.071 19013 10053 1 18 . 1 1 35 35 GLU C C 35 175.939 175.939 175.603 0.336 19013 10054 1 18 . 1 1 35 35 GLU CA C 35 57.385 57.385 56.852 0.533 19013 10055 1 18 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.020 0.094 19013 10056 1 18 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.088 0.476 19013 10057 1 18 . 1 1 36 36 ILE C C 36 176.530 176.530 176.033 0.497 19013 10058 1 18 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.041 -0.194 19013 10059 1 18 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.626 1.968 19013 10060 1 18 . 1 1 37 37 LEU N N 37 125.464 125.464 118.690 6.774 19013 10061 1 18 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.588 0.501 19013 10062 1 18 . 1 1 37 37 LEU C C 37 178.470 178.470 176.272 2.198 19013 10063 1 18 . 1 1 37 37 LEU CA C 37 57.114 57.114 56.868 0.246 19013 10064 1 18 . 1 1 37 37 LEU CB C 37 42.176 42.176 40.938 1.238 19013 10065 1 18 . 1 1 38 38 GLU N N 38 120.405 120.405 117.268 3.137 19013 10066 1 18 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.194 -0.015 19013 10067 1 18 . 1 1 38 38 GLU C C 38 175.620 175.620 175.034 0.586 19013 10068 1 18 . 1 1 38 38 GLU CA C 38 58.630 58.630 55.800 2.830 19013 10069 1 18 . 1 1 38 38 GLU CB C 38 29.551 29.551 31.644 -2.093 19013 10070 1 18 . 1 1 39 39 ASP N N 39 117.746 117.746 117.590 0.156 19013 10071 1 18 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.389 0.113 19013 10072 1 18 . 1 1 39 39 ASP C C 39 176.811 176.811 175.491 1.320 19013 10073 1 18 . 1 1 39 39 ASP CA C 39 53.870 53.870 55.381 -1.511 19013 10074 1 18 . 1 1 39 39 ASP CB C 39 40.381 40.381 41.067 -0.686 19013 10075 1 18 . 1 1 40 40 LEU N N 40 127.180 127.180 113.119 14.061 19013 10076 1 18 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.614 -0.304 19013 10077 1 18 . 1 1 40 40 LEU C C 40 177.950 177.950 175.102 2.848 19013 10078 1 18 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.089 0.015 19013 10079 1 18 . 1 1 40 40 LEU CB C 40 41.706 41.706 43.682 -1.976 19013 10080 1 18 . 1 1 41 41 GLU N N 41 120.599 120.599 121.210 -0.611 19013 10081 1 18 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.636 -0.706 19013 10082 1 18 . 1 1 41 41 GLU C C 41 178.353 178.353 175.790 2.563 19013 10083 1 18 . 1 1 41 41 GLU CA C 41 59.238 59.238 54.659 4.579 19013 10084 1 18 . 1 1 41 41 GLU CB C 41 29.391 29.391 32.970 -3.579 19013 10085 1 18 . 1 1 42 42 SER N N 42 114.356 114.356 119.692 -5.336 19013 10086 1 18 . 1 1 42 42 SER HA H 42 4.209 4.209 4.600 -0.391 19013 10087 1 18 . 1 1 42 42 SER C C 42 175.221 175.221 173.987 1.234 19013 10088 1 18 . 1 1 42 42 SER CA C 42 60.331 60.331 58.373 1.958 19013 10089 1 18 . 1 1 42 42 SER CB C 42 62.849 62.849 63.191 -0.342 19013 10090 1 18 . 1 1 43 43 GLU N N 43 119.711 119.711 125.016 -5.305 19013 10091 1 18 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.149 0.137 19013 10092 1 18 . 1 1 43 43 GLU C C 43 176.893 176.893 176.260 0.633 19013 10093 1 18 . 1 1 43 43 GLU CA C 43 57.593 57.593 58.054 -0.461 19013 10094 1 18 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.013 0.428 19013 10095 1 18 . 1 1 44 44 LEU N N 44 117.788 117.788 119.933 -2.145 19013 10096 1 18 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.473 -0.119 19013 10097 1 18 . 1 1 44 44 LEU C C 44 177.944 177.944 177.325 0.619 19013 10098 1 18 . 1 1 44 44 LEU CA C 44 54.941 54.941 53.910 1.031 19013 10099 1 18 . 1 1 44 44 LEU CB C 44 42.375 42.375 41.636 0.739 19013 10100 1 18 . 1 1 45 45 GLY N N 45 108.349 108.349 112.059 -3.710 19013 10101 1 18 . 1 1 45 45 GLY C C 45 173.791 173.791 174.613 -0.822 19013 10102 1 18 . 1 1 45 45 GLY CA C 45 45.637 45.637 46.034 -0.397 19013 10103 1 18 . 1 1 46 46 ASP N N 46 119.869 119.869 120.476 -0.607 19013 10104 1 18 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.590 0.099 19013 10105 1 18 . 1 1 46 46 ASP C C 46 176.628 176.628 177.465 -0.837 19013 10106 1 18 . 1 1 46 46 ASP CA C 46 54.021 54.021 56.378 -2.357 19013 10107 1 18 . 1 1 46 46 ASP CB C 46 41.096 41.096 40.416 0.680 19013 10108 1 18 . 1 1 47 47 THR N N 47 113.962 113.962 110.096 3.866 19013 10109 1 18 . 1 1 47 47 THR HA H 47 4.258 4.258 4.268 -0.010 19013 10110 1 18 . 1 1 47 47 THR C C 47 175.277 175.277 176.050 -0.773 19013 10111 1 18 . 1 1 47 47 THR CA C 47 62.715 62.715 63.077 -0.362 19013 10112 1 18 . 1 1 47 47 THR CB C 47 69.504 69.504 69.503 0.001 19013 10113 1 18 . 1 1 48 48 GLU N N 48 121.748 121.748 120.205 1.543 19013 10114 1 18 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.031 0.204 19013 10115 1 18 . 1 1 48 48 GLU C C 48 177.221 177.221 176.967 0.254 19013 10116 1 18 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.769 -1.264 19013 10117 1 18 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.417 1.301 19013 10118 1 18 . 1 1 49 49 THR N N 49 113.781 113.781 112.099 1.682 19013 10119 1 18 . 1 1 49 49 THR HA H 49 4.160 4.160 4.357 -0.197 19013 10120 1 18 . 1 1 49 49 THR C C 49 174.979 174.979 175.751 -0.772 19013 10121 1 18 . 1 1 49 49 THR CA C 49 62.989 62.989 63.878 -0.889 19013 10122 1 18 . 1 1 49 49 THR CB C 49 69.198 69.198 69.191 0.007 19013 10123 1 18 . 1 1 50 50 MET N N 50 121.133 121.133 122.623 -1.490 19013 10124 1 18 . 1 1 50 50 MET HA H 50 4.295 4.295 4.447 -0.152 19013 10125 1 18 . 1 1 50 50 MET C C 50 175.846 175.846 174.233 1.613 19013 10126 1 18 . 1 1 50 50 MET CA C 50 55.981 55.981 55.429 0.551 19013 10127 1 18 . 1 1 50 50 MET CB C 50 32.549 32.549 31.299 1.250 19013 10128 1 18 . 1 1 51 51 ARG N N 51 120.641 120.641 122.506 -1.865 19013 10129 1 18 . 1 1 51 51 ARG HA H 51 4.338 4.338 5.346 -1.008 19013 10130 1 18 . 1 1 51 51 ARG C C 51 176.213 176.213 176.134 0.079 19013 10131 1 18 . 1 1 51 51 ARG CA C 51 55.879 55.879 53.960 1.919 19013 10132 1 18 . 1 1 51 51 ARG CB C 51 30.606 30.606 33.378 -2.772 19013 10133 1 18 . 1 1 52 52 THR N N 52 116.663 116.663 119.026 -2.363 19013 10134 1 18 . 1 1 52 52 THR HA H 52 4.564 4.564 4.144 0.420 19013 10135 1 18 . 1 1 52 52 THR C C 52 172.814 172.814 174.452 -1.638 19013 10136 1 18 . 1 1 52 52 THR CA C 52 59.828 59.828 62.776 -2.948 19013 10137 1 18 . 1 1 52 52 THR CB C 52 69.498 69.498 68.357 1.141 19013 10138 1 18 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.365 -0.025 19013 10139 1 18 . 1 1 53 53 PRO C C 53 177.518 177.518 176.019 1.499 19013 10140 1 18 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.111 0.879 19013 10141 1 18 . 1 1 53 53 PRO CB C 53 31.917 31.917 30.334 1.583 19013 10142 1 18 . 1 1 54 54 GLY N N 54 108.804 108.804 108.314 0.490 19013 10143 1 18 . 1 1 54 54 GLY C C 54 174.121 174.121 172.717 1.404 19013 10144 1 18 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.509 -0.140 19013 10145 1 18 . 1 1 55 55 TYR N N 55 119.872 119.872 116.408 3.464 19013 10146 1 18 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.765 -0.405 19013 10147 1 18 . 1 1 55 55 TYR C C 55 175.550 175.550 173.404 2.146 19013 10148 1 18 . 1 1 55 55 TYR CA C 55 58.508 58.508 55.054 3.454 19013 10149 1 18 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.488 -0.581 19013 10150 1 18 . 1 1 56 56 PHE N N 56 121.248 121.248 120.062 1.186 19013 10151 1 18 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.747 -0.318 19013 10152 1 18 . 1 1 56 56 PHE C C 56 175.354 175.354 176.216 -0.862 19013 10153 1 18 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.174 0.964 19013 10154 1 18 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.367 -0.854 19013 10155 1 18 . 1 1 57 57 PHE N N 57 121.226 121.226 121.992 -0.766 19013 10156 1 18 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.971 -0.498 19013 10157 1 18 . 1 1 57 57 PHE C C 57 175.182 175.182 175.489 -0.307 19013 10158 1 18 . 1 1 57 57 PHE CA C 57 57.826 57.826 57.273 0.553 19013 10159 1 18 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.662 -0.133 19013 10160 1 18 . 1 1 58 58 GLN N N 58 121.160 121.160 124.306 -3.146 19013 10161 1 18 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.466 -0.234 19013 10162 1 18 . 1 1 58 58 GLN C C 58 175.287 175.287 175.127 0.160 19013 10163 1 18 . 1 1 58 58 GLN CA C 58 55.406 55.406 54.340 1.066 19013 10164 1 18 . 1 1 58 58 GLN CB C 58 29.477 29.477 30.558 -1.081 19013 10165 1 18 . 1 1 59 59 GLN N N 59 120.923 120.923 126.617 -5.694 19013 10166 1 18 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.470 -0.184 19013 10167 1 18 . 1 1 59 59 GLN C C 59 175.318 175.318 176.108 -0.790 19013 10168 1 18 . 1 1 59 59 GLN CA C 59 55.297 55.297 58.115 -2.818 19013 10169 1 18 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.433 -0.014 19013 10170 1 18 . 1 1 60 60 ALA N N 60 126.737 126.737 120.369 6.368 19013 10171 1 18 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.157 0.379 19013 10172 1 18 . 1 1 60 60 ALA C C 60 175.924 175.924 175.217 0.707 19013 10173 1 18 . 1 1 60 60 ALA CA C 60 50.682 50.682 52.019 -1.337 19013 10174 1 18 . 1 1 60 60 ALA CB C 60 18.173 18.173 17.554 0.619 19013 10175 1 18 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.381 0.023 19013 10176 1 18 . 1 1 61 61 PRO C C 61 176.902 176.902 176.501 0.401 19013 10177 1 18 . 1 1 61 61 PRO CA C 61 63.549 63.549 63.065 0.484 19013 10178 1 18 . 1 1 61 61 PRO CB C 61 31.981 31.981 30.877 1.104 19013 10179 1 18 . 1 1 62 62 ASN N N 62 116.490 116.490 118.232 -1.742 19013 10180 1 18 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.384 0.216 19013 10181 1 18 . 1 1 62 62 ASN C C 62 174.942 174.942 174.579 0.363 19013 10182 1 18 . 1 1 62 62 ASN CA C 62 53.299 53.299 54.444 -1.145 19013 10183 1 18 . 1 1 62 62 ASN CB C 62 38.021 38.021 37.281 0.740 19013 10184 1 18 . 1 1 63 63 ARG N N 63 120.117 120.117 118.806 1.311 19013 10185 1 18 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.517 -0.156 19013 10186 1 18 . 1 1 63 63 ARG C C 63 175.853 175.853 175.206 0.647 19013 10187 1 18 . 1 1 63 63 ARG CA C 63 55.555 55.555 53.951 1.604 19013 10188 1 18 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.270 -1.185 19013 10189 1 18 . 1 1 64 64 ARG N N 64 123.061 123.061 122.521 0.540 19013 10190 1 18 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.208 0.092 19013 10191 1 18 . 1 1 64 64 ARG C C 64 175.995 175.995 177.038 -1.043 19013 10192 1 18 . 1 1 64 64 ARG CA C 64 56.003 56.003 57.354 -1.351 19013 10193 1 18 . 1 1 64 64 ARG CB C 64 30.480 30.480 29.260 1.220 19013 10194 1 18 . 1 1 65 65 ARG N N 65 123.698 123.698 123.177 0.521 19013 10195 1 18 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.395 0.181 19013 10196 1 18 . 1 1 65 65 ARG C C 65 176.085 176.085 177.905 -1.820 19013 10197 1 18 . 1 1 65 65 ARG CA C 65 55.448 55.448 59.310 -3.862 19013 10198 1 18 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.853 0.302 19013 10199 1 18 . 1 1 66 66 ILE N N 66 120.928 120.928 112.907 8.021 19013 10200 1 18 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.497 -0.062 19013 10201 1 18 . 1 1 66 66 ILE C C 66 175.488 175.488 176.082 -0.594 19013 10202 1 18 . 1 1 66 66 ILE CA C 66 60.214 60.214 63.511 -3.297 19013 10203 1 18 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.447 0.707 19013 10204 1 18 . 1 1 67 67 SER N N 67 119.534 119.534 115.390 4.144 19013 10205 1 18 . 1 1 67 67 SER HA H 67 4.431 4.431 4.476 -0.045 19013 10206 1 18 . 1 1 67 67 SER C C 67 174.034 174.034 172.994 1.040 19013 10207 1 18 . 1 1 67 67 SER CA C 67 58.599 58.599 59.733 -1.134 19013 10208 1 18 . 1 1 67 67 SER CB C 67 63.499 63.499 63.371 0.128 19013 10209 1 18 . 1 1 68 68 ARG N N 68 124.936 124.936 121.321 3.615 19013 10210 1 18 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.775 -0.200 19013 10211 1 18 . 1 1 68 68 ARG C C 68 175.967 175.967 175.007 0.960 19013 10212 1 18 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.202 1.252 19013 10213 1 18 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.582 -0.109 19013 10214 1 18 . 1 1 69 69 GLU N N 69 136.462 136.462 121.850 14.612 19013 10215 1 18 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.361 0.144 19013 10216 1 18 . 1 1 69 69 GLU C C 69 174.852 174.852 175.182 -0.330 19013 10217 1 18 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.433 -0.239 19013 10218 1 18 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.967 -1.166 19013 10219 1 18 . 1 1 70 70 HIS N N 70 120.728 120.728 119.644 1.084 19013 10220 1 18 . 1 1 70 70 HIS HA H 70 3.736 3.736 5.024 -1.288 19013 10221 1 18 . 1 1 70 70 HIS C C 70 171.455 171.455 173.633 -2.178 19013 10222 1 18 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.592 0.982 19013 10223 1 18 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.465 -1.349 19013 10224 1 18 . 1 1 71 71 GLY N N 71 108.698 108.698 108.326 0.372 19013 10225 1 18 . 1 1 71 71 GLY C C 71 174.611 174.611 172.731 1.880 19013 10226 1 18 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.248 -0.185 19013 10227 1 18 . 1 1 72 72 ARG N N 72 123.350 123.350 121.554 1.796 19013 10228 1 18 . 1 1 72 72 ARG HA H 72 4.195 4.195 3.704 0.491 19013 10229 1 18 . 1 1 72 72 ARG C C 72 178.495 178.495 175.969 2.526 19013 10230 1 18 . 1 1 72 72 ARG CA C 72 60.196 60.196 59.193 1.003 19013 10231 1 18 . 1 1 72 72 ARG CB C 72 30.822 30.822 28.833 1.989 19013 10232 1 18 . 1 1 73 73 THR N N 73 103.467 103.467 109.500 -6.033 19013 10233 1 18 . 1 1 73 73 THR HA H 73 4.196 4.196 4.429 -0.233 19013 10234 1 18 . 1 1 73 73 THR C C 73 171.300 171.300 172.603 -1.303 19013 10235 1 18 . 1 1 73 73 THR CA C 73 59.336 59.336 61.259 -1.923 19013 10236 1 18 . 1 1 73 73 THR CB C 73 69.837 69.837 69.505 0.332 19013 10237 1 18 . 1 1 74 74 TRP N N 74 112.582 112.582 119.825 -7.243 19013 10238 1 18 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.924 -0.217 19013 10239 1 18 . 1 1 74 74 TRP C C 74 176.667 176.667 174.037 2.630 19013 10240 1 18 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.857 0.025 19013 10241 1 18 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.685 0.175 19013 10242 1 18 . 1 1 75 75 THR N N 75 114.629 114.629 116.636 -2.007 19013 10243 1 18 . 1 1 75 75 THR HA H 75 4.594 4.594 4.943 -0.349 19013 10244 1 18 . 1 1 75 75 THR C C 75 170.237 170.237 172.913 -2.676 19013 10245 1 18 . 1 1 75 75 THR CA C 75 61.354 61.354 61.319 0.035 19013 10246 1 18 . 1 1 75 75 THR CB C 75 69.887 69.887 72.091 -2.204 19013 10247 1 18 . 1 1 76 76 LYS N N 76 130.596 130.596 129.683 0.913 19013 10248 1 18 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.314 0.408 19013 10249 1 18 . 1 1 76 76 LYS C C 76 177.934 177.934 175.878 2.056 19013 10250 1 18 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.216 0.824 19013 10251 1 18 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.406 1.764 19013 10252 1 18 . 1 1 77 77 LEU N N 77 128.006 128.006 124.047 3.959 19013 10253 1 18 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.976 -0.689 19013 10254 1 18 . 1 1 77 77 LEU C C 77 174.557 174.557 175.102 -0.545 19013 10255 1 18 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.449 1.849 19013 10256 1 18 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.887 1.213 19013 10257 1 18 . 1 1 78 78 THR N N 78 123.666 123.666 115.083 8.583 19013 10258 1 18 . 1 1 78 78 THR HA H 78 4.435 4.435 4.667 -0.232 19013 10259 1 18 . 1 1 78 78 THR C C 78 174.067 174.067 174.191 -0.124 19013 10260 1 18 . 1 1 78 78 THR CA C 78 62.500 62.500 62.379 0.121 19013 10261 1 18 . 1 1 78 78 THR CB C 78 67.902 67.902 69.666 -1.764 19013 10262 1 18 . 1 1 79 79 TYR N N 79 125.290 125.290 125.694 -0.404 19013 10263 1 18 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.536 0.416 19013 10264 1 18 . 1 1 79 79 TYR C C 79 176.523 176.523 177.415 -0.892 19013 10265 1 18 . 1 1 79 79 TYR CA C 79 59.379 59.379 59.197 0.182 19013 10266 1 18 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.971 0.848 19013 10267 1 18 . 1 1 80 80 ALA N N 80 121.971 121.971 121.858 0.113 19013 10268 1 18 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.876 0.184 19013 10269 1 18 . 1 1 80 80 ALA C C 80 177.255 177.255 176.545 0.710 19013 10270 1 18 . 1 1 80 80 ALA CA C 80 53.930 53.930 54.238 -0.308 19013 10271 1 18 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.105 2.081 19013 10272 1 18 . 1 1 81 81 ASN N N 81 112.786 112.786 118.280 -5.494 19013 10273 1 18 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.952 0.145 19013 10274 1 18 . 1 1 81 81 ASN C C 81 175.438 175.438 175.535 -0.097 19013 10275 1 18 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.732 -1.244 19013 10276 1 18 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.826 1.604 19013 10277 1 18 . 1 1 82 82 HIS N N 82 123.560 123.560 122.753 0.807 19013 10278 1 18 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.424 -0.137 19013 10279 1 18 . 1 1 82 82 HIS C C 82 176.494 176.494 176.893 -0.399 19013 10280 1 18 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.479 -0.388 19013 10281 1 18 . 1 1 82 82 HIS CB C 82 28.563 28.563 30.097 -1.534 19013 10282 1 18 . 1 1 83 83 SER N N 83 114.623 114.623 114.732 -0.109 19013 10283 1 18 . 1 1 83 83 SER HA H 83 4.095 4.095 4.244 -0.149 19013 10284 1 18 . 1 1 83 83 SER C C 83 177.619 177.619 176.752 0.867 19013 10285 1 18 . 1 1 83 83 SER CA C 83 61.637 61.637 61.760 -0.123 19013 10286 1 18 . 1 1 83 83 SER CB C 83 61.644 61.644 62.567 -0.923 19013 10287 1 18 . 1 1 84 84 SER N N 84 120.863 120.863 115.980 4.883 19013 10288 1 18 . 1 1 84 84 SER HA H 84 3.935 3.935 3.878 0.057 19013 10289 1 18 . 1 1 84 84 SER C C 84 173.466 173.466 175.669 -2.203 19013 10290 1 18 . 1 1 84 84 SER CA C 84 62.250 62.250 60.866 1.384 19013 10291 1 18 . 1 1 84 84 SER CB C 84 62.700 62.700 62.922 -0.222 19013 10292 1 18 . 1 1 85 85 TYR N N 85 122.263 122.263 122.854 -0.591 19013 10293 1 18 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.950 -0.181 19013 10294 1 18 . 1 1 85 85 TYR C C 85 175.010 175.010 176.896 -1.886 19013 10295 1 18 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.123 -0.450 19013 10296 1 18 . 1 1 85 85 TYR CB C 85 37.625 37.625 37.968 -0.343 19013 10297 1 18 . 1 1 86 86 LEU N N 86 117.366 117.366 116.915 0.451 19013 10298 1 18 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.868 -0.331 19013 10299 1 18 . 1 1 86 86 LEU C C 86 179.942 179.942 179.002 0.940 19013 10300 1 18 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.140 0.129 19013 10301 1 18 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.574 1.120 19013 10302 1 18 . 1 1 87 87 ARG N N 87 118.578 118.578 118.280 0.298 19013 10303 1 18 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.012 -0.164 19013 10304 1 18 . 1 1 87 87 ARG C C 87 178.784 178.784 178.463 0.321 19013 10305 1 18 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.922 -1.481 19013 10306 1 18 . 1 1 87 87 ARG CB C 87 28.941 28.941 30.196 -1.255 19013 10307 1 18 . 1 1 88 88 ALA N N 88 123.868 123.868 121.394 2.474 19013 10308 1 18 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.288 -0.745 19013 10309 1 18 . 1 1 88 88 ALA C C 88 179.517 179.517 178.627 0.890 19013 10310 1 18 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.463 1.951 19013 10311 1 18 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.123 0.019 19013 10312 1 18 . 1 1 89 89 LEU N N 89 114.573 114.573 117.866 -3.293 19013 10313 1 18 . 1 1 89 89 LEU HA H 89 3.924 3.924 3.940 -0.016 19013 10314 1 18 . 1 1 89 89 LEU C C 89 180.088 180.088 176.419 3.669 19013 10315 1 18 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.898 2.519 19013 10316 1 18 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.413 0.473 19013 10317 1 18 . 1 1 90 90 ARG N N 90 116.735 116.735 119.879 -3.144 19013 10318 1 18 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.005 0.127 19013 10319 1 18 . 1 1 90 90 ARG C C 90 177.429 177.429 175.848 1.581 19013 10320 1 18 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.346 0.453 19013 10321 1 18 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.192 0.642 19013 10322 1 18 . 1 1 91 91 GLU N N 91 115.787 115.787 123.035 -7.248 19013 10323 1 18 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.687 -0.540 19013 10324 1 18 . 1 1 91 91 GLU C C 91 176.303 176.303 175.597 0.706 19013 10325 1 18 . 1 1 91 91 GLU CA C 91 55.336 55.336 54.467 0.869 19013 10326 1 18 . 1 1 91 91 GLU CB C 91 29.705 29.705 31.630 -1.925 19013 10327 1 18 . 1 1 92 92 HIS N N 92 118.997 118.997 118.861 0.136 19013 10328 1 18 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.176 0.095 19013 10329 1 18 . 1 1 92 92 HIS C C 92 176.823 176.823 175.792 1.031 19013 10330 1 18 . 1 1 92 92 HIS CA C 92 59.453 59.453 58.812 0.641 19013 10331 1 18 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.695 1.117 19013 10332 1 18 . 1 1 93 93 GLY N N 93 116.944 116.944 116.276 0.668 19013 10333 1 18 . 1 1 93 93 GLY C C 93 174.512 174.512 174.541 -0.029 19013 10334 1 18 . 1 1 93 93 GLY CA C 93 44.976 44.976 44.683 0.293 19013 10335 1 18 . 1 1 94 94 THR N N 94 117.838 117.838 121.089 -3.251 19013 10336 1 18 . 1 1 94 94 THR HA H 94 4.059 4.059 4.498 -0.439 19013 10337 1 18 . 1 1 94 94 THR C C 94 172.656 172.656 173.004 -0.348 19013 10338 1 18 . 1 1 94 94 THR CA C 94 63.330 63.330 62.734 0.596 19013 10339 1 18 . 1 1 94 94 THR CB C 94 69.936 69.936 67.863 2.073 19013 10340 1 18 . 1 1 95 95 ILE N N 95 124.155 124.155 127.181 -3.026 19013 10341 1 18 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.339 0.049 19013 10342 1 18 . 1 1 95 95 ILE C C 95 175.534 175.534 175.118 0.416 19013 10343 1 18 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.917 -1.140 19013 10344 1 18 . 1 1 95 95 ILE CB C 95 35.990 35.990 38.660 -2.670 19013 10345 1 18 . 1 1 96 96 TYR N N 96 130.370 130.370 128.497 1.873 19013 10346 1 18 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.759 -0.196 19013 10347 1 18 . 1 1 96 96 TYR C C 96 174.539 174.539 175.554 -1.015 19013 10348 1 18 . 1 1 96 96 TYR CA C 96 57.456 57.456 57.718 -0.262 19013 10349 1 18 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.328 0.399 19013 10350 1 18 . 1 1 97 97 CYS N N 97 123.936 123.936 125.496 -1.560 19013 10351 1 18 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.848 -0.190 19013 10352 1 18 . 1 1 97 97 CYS C C 97 175.798 175.798 175.241 0.557 19013 10353 1 18 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.943 0.878 19013 10354 1 18 . 1 1 97 97 CYS CB C 97 25.479 25.479 27.369 -1.890 19013 10355 1 18 . 1 1 98 98 GLY N N 98 103.268 103.268 105.000 -1.732 19013 10356 1 18 . 1 1 98 98 GLY C C 98 173.270 173.270 173.212 0.058 19013 10357 1 18 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.530 0.782 19013 10358 1 18 . 1 1 99 99 ALA N N 99 123.511 123.511 122.421 1.090 19013 10359 1 18 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.724 -0.029 19013 10360 1 18 . 1 1 99 99 ALA C C 99 175.215 175.215 175.082 0.133 19013 10361 1 18 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.479 0.299 19013 10362 1 18 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.656 0.099 19013 10363 1 18 . 1 1 100 100 ALA N N 100 124.957 124.957 124.456 0.501 19013 10364 1 18 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.314 -0.681 19013 10365 1 18 . 1 1 100 100 ALA C C 100 177.477 177.477 177.661 -0.184 19013 10366 1 18 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.825 0.698 19013 10367 1 18 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.493 -1.324 19013 10368 1 18 . 1 1 101 101 ILE N N 101 121.598 121.598 119.443 2.155 19013 10369 1 18 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.463 -0.008 19013 10370 1 18 . 1 1 101 101 ILE C C 101 175.956 175.956 175.003 0.953 19013 10371 1 18 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.901 0.063 19013 10372 1 18 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.741 1.094 19013 10373 1 18 . 1 1 102 102 GLY N N 102 113.717 113.717 111.313 2.404 19013 10374 1 18 . 1 1 102 102 GLY C C 102 172.857 172.857 171.594 1.263 19013 10375 1 18 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.599 -1.155 19013 10376 1 18 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.622 -0.088 19013 10377 1 18 . 1 1 103 103 CYS C C 103 172.624 172.624 173.259 -0.635 19013 10378 1 18 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.416 2.287 19013 10379 1 18 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.780 -2.437 19013 10380 1 18 . 1 1 104 104 VAL N N 104 118.519 118.519 122.788 -4.269 19013 10381 1 18 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.717 0.188 19013 10382 1 18 . 1 1 104 104 VAL C C 104 172.705 172.705 173.484 -0.779 19013 10383 1 18 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.956 -0.543 19013 10384 1 18 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.519 -0.416 19013 10385 1 18 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.540 0.075 19013 10386 1 18 . 1 1 105 105 PRO C C 105 176.557 176.557 176.519 0.038 19013 10387 1 18 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.687 0.867 19013 10388 1 18 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.352 0.314 19013 10389 1 18 . 1 1 106 106 TYR N N 106 121.923 121.923 123.704 -1.781 19013 10390 1 18 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.295 -0.465 19013 10391 1 18 . 1 1 106 106 TYR C C 106 174.643 174.643 174.651 -0.008 19013 10392 1 18 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.166 0.852 19013 10393 1 18 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.892 0.495 19013 10394 1 18 . 1 1 107 107 LYS N N 107 124.087 124.087 128.255 -4.168 19013 10395 1 18 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.386 -0.205 19013 10396 1 18 . 1 1 107 107 LYS C C 107 176.443 176.443 175.512 0.931 19013 10397 1 18 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.284 0.493 19013 10398 1 18 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.689 0.236 19013 10399 1 18 . 1 1 108 108 HIS N N 108 124.171 124.171 124.449 -0.278 19013 10400 1 18 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.021 -0.061 19013 10401 1 18 . 1 1 108 108 HIS C C 108 176.998 176.998 176.726 0.272 19013 10402 1 18 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.064 -0.465 19013 10403 1 18 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.340 -1.792 19013 10404 1 18 . 1 1 109 109 GLU N N 109 118.941 118.941 119.971 -1.030 19013 10405 1 18 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.011 -0.098 19013 10406 1 18 . 1 1 109 109 GLU C C 109 177.738 177.738 178.579 -0.841 19013 10407 1 18 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.782 0.555 19013 10408 1 18 . 1 1 109 109 GLU CB C 109 28.719 28.719 29.138 -0.419 19013 10409 1 18 . 1 1 110 110 LEU N N 110 118.555 118.555 120.317 -1.762 19013 10410 1 18 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.865 0.136 19013 10411 1 18 . 1 1 110 110 LEU C C 110 177.872 177.872 178.151 -0.279 19013 10412 1 18 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.575 -1.202 19013 10413 1 18 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.553 0.402 19013 10414 1 18 . 1 1 111 111 ILE N N 111 117.129 117.129 118.302 -1.173 19013 10415 1 18 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.178 -0.208 19013 10416 1 18 . 1 1 111 111 ILE C C 111 178.773 178.773 178.227 0.546 19013 10417 1 18 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.316 -0.578 19013 10418 1 18 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.028 -0.610 19013 10419 1 18 . 1 1 112 112 SER N N 112 116.165 116.165 116.140 0.025 19013 10420 1 18 . 1 1 112 112 SER HA H 112 4.000 4.000 3.913 0.087 19013 10421 1 18 . 1 1 112 112 SER C C 112 176.313 176.313 176.341 -0.028 19013 10422 1 18 . 1 1 112 112 SER CA C 112 61.433 61.433 62.570 -1.137 19013 10423 1 18 . 1 1 112 112 SER CB C 112 62.188 62.188 62.667 -0.479 19013 10424 1 18 . 1 1 113 113 GLU N N 113 120.732 120.732 121.699 -0.967 19013 10425 1 18 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.936 0.050 19013 10426 1 18 . 1 1 113 113 GLU C C 113 178.799 178.799 178.869 -0.070 19013 10427 1 18 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.906 -0.385 19013 10428 1 18 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.085 0.297 19013 10429 1 18 . 1 1 114 114 LEU N N 114 119.452 119.452 120.483 -1.031 19013 10430 1 18 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.803 -0.080 19013 10431 1 18 . 1 1 114 114 LEU C C 114 179.184 179.184 179.502 -0.318 19013 10432 1 18 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.122 -0.438 19013 10433 1 18 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.161 -1.174 19013 10434 1 18 . 1 1 115 115 SER N N 115 112.708 112.708 115.052 -2.344 19013 10435 1 18 . 1 1 115 115 SER HA H 115 4.615 4.615 4.427 0.188 19013 10436 1 18 . 1 1 115 115 SER C C 115 174.994 174.994 176.102 -1.108 19013 10437 1 18 . 1 1 115 115 SER CA C 115 59.706 59.706 60.959 -1.253 19013 10438 1 18 . 1 1 115 115 SER CB C 115 63.512 63.512 63.212 0.300 19013 10439 1 18 . 1 1 116 116 ARG N N 116 121.600 121.600 119.505 2.095 19013 10440 1 18 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.261 -0.020 19013 10441 1 18 . 1 1 116 116 ARG C C 116 176.893 176.893 176.343 0.550 19013 10442 1 18 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.047 0.975 19013 10443 1 18 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.691 -0.528 19013 10444 1 18 . 1 1 117 117 GLU N N 117 120.450 120.450 115.899 4.551 19013 10445 1 18 . 1 1 117 117 GLU HA H 117 4.240 4.240 3.964 0.276 19013 10446 1 18 . 1 1 117 117 GLU C C 117 177.260 177.260 175.770 1.490 19013 10447 1 18 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.994 0.048 19013 10448 1 18 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.372 2.391 19013 10449 1 18 . 1 1 118 118 GLY N N 118 108.905 108.905 108.983 -0.078 19013 10450 1 18 . 1 1 118 118 GLY C C 118 174.225 174.225 172.751 1.474 19013 10451 1 18 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.295 0.088 19013 10452 1 18 . 1 1 119 119 HIS N N 119 117.625 117.625 116.793 0.832 19013 10453 1 18 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.708 -0.049 19013 10454 1 18 . 1 1 119 119 HIS C C 119 174.439 174.439 174.360 0.079 19013 10455 1 18 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.733 -0.321 19013 10456 1 18 . 1 1 119 119 HIS CB C 119 28.904 28.904 31.895 -2.991 19013 10457 1 18 . 1 1 120 120 HIS N N 120 119.015 119.015 119.822 -0.807 19013 10458 1 18 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.342 0.330 19013 10459 1 18 . 1 1 120 120 HIS C C 120 174.259 174.259 174.749 -0.490 19013 10460 1 18 . 1 1 120 120 HIS CA C 120 55.321 55.321 57.399 -2.078 19013 10461 1 18 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.130 -1.032 19013 10462 1 18 . 1 1 121 121 HIS N N 121 119.872 119.872 117.485 2.387 19013 10463 1 18 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.799 -0.119 19013 10464 1 18 . 1 1 121 121 HIS C C 121 174.245 174.245 174.664 -0.419 19013 10465 1 18 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.804 -0.415 19013 10466 1 18 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.429 -2.170 19013 10467 1 18 . 1 1 122 122 HIS N N 122 120.597 120.597 122.374 -1.777 19013 10468 1 18 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.793 -0.106 19013 10469 1 18 . 1 1 122 122 HIS C C 122 174.101 174.101 174.414 -0.313 19013 10470 1 18 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.716 -0.330 19013 10471 1 18 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.645 -1.296 19013 10472 1 18 . 1 1 123 123 HIS N N 123 120.680 120.680 121.405 -0.725 19013 10473 1 18 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.461 0.195 19013 10474 1 18 . 1 1 123 123 HIS C C 123 173.591 173.591 174.491 -0.900 19013 10475 1 18 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.213 -0.650 19013 10476 1 18 . 1 1 123 123 HIS CB C 123 29.456 29.456 28.699 0.757 19013 10477 1 19 . 1 1 2 2 SER HA H 2 4.167 4.167 4.475 -0.308 19013 10478 1 19 . 1 1 2 2 SER C C 2 170.960 170.960 174.929 -3.969 19013 10479 1 19 . 1 1 2 2 SER CA C 2 57.139 57.139 58.157 -1.018 19013 10480 1 19 . 1 1 2 2 SER CB C 2 63.027 63.027 63.476 -0.449 19013 10481 1 19 . 1 1 3 3 LEU N N 3 123.102 123.102 123.728 -0.626 19013 10482 1 19 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.131 0.284 19013 10483 1 19 . 1 1 3 3 LEU C C 3 177.886 177.886 175.691 2.195 19013 10484 1 19 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.459 0.167 19013 10485 1 19 . 1 1 3 3 LEU CB C 3 42.334 42.334 41.945 0.389 19013 10486 1 19 . 1 1 4 4 GLY N N 4 110.546 110.546 109.949 0.597 19013 10487 1 19 . 1 1 4 4 GLY C C 4 174.473 174.473 173.979 0.494 19013 10488 1 19 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.441 0.829 19013 10489 1 19 . 1 1 5 5 SER N N 5 115.839 115.839 118.544 -2.705 19013 10490 1 19 . 1 1 5 5 SER HA H 5 4.472 4.472 4.470 0.002 19013 10491 1 19 . 1 1 5 5 SER C C 5 175.085 175.085 175.317 -0.232 19013 10492 1 19 . 1 1 5 5 SER CA C 5 58.419 58.419 58.108 0.311 19013 10493 1 19 . 1 1 5 5 SER CB C 5 63.648 63.648 64.146 -0.498 19013 10494 1 19 . 1 1 6 6 GLU N N 6 122.855 122.855 121.415 1.440 19013 10495 1 19 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.482 -0.142 19013 10496 1 19 . 1 1 6 6 GLU C C 6 176.767 176.767 176.966 -0.199 19013 10497 1 19 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.702 0.318 19013 10498 1 19 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.489 0.296 19013 10499 1 19 . 1 1 7 7 SER N N 7 116.046 116.046 115.393 0.653 19013 10500 1 19 . 1 1 7 7 SER HA H 7 4.444 4.444 4.493 -0.049 19013 10501 1 19 . 1 1 7 7 SER C C 7 174.946 174.946 174.846 0.100 19013 10502 1 19 . 1 1 7 7 SER CA C 7 58.587 58.587 58.248 0.340 19013 10503 1 19 . 1 1 7 7 SER CB C 7 63.645 63.645 62.375 1.270 19013 10504 1 19 . 1 1 8 8 GLU N N 8 122.758 122.758 120.761 1.997 19013 10505 1 19 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.482 -0.110 19013 10506 1 19 . 1 1 8 8 GLU C C 8 176.929 176.929 177.330 -0.401 19013 10507 1 19 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.368 0.534 19013 10508 1 19 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.052 0.785 19013 10509 1 19 . 1 1 9 9 THR N N 9 113.221 113.221 115.825 -2.604 19013 10510 1 19 . 1 1 9 9 THR HA H 9 4.295 4.295 4.238 0.057 19013 10511 1 19 . 1 1 9 9 THR C C 9 175.371 175.371 175.544 -0.173 19013 10512 1 19 . 1 1 9 9 THR CA C 9 62.279 62.279 65.171 -2.892 19013 10513 1 19 . 1 1 9 9 THR CB C 9 69.828 69.828 69.446 0.382 19013 10514 1 19 . 1 1 10 10 GLY N N 10 110.774 110.774 109.777 0.997 19013 10515 1 19 . 1 1 10 10 GLY C C 10 173.283 173.283 173.373 -0.090 19013 10516 1 19 . 1 1 10 10 GLY CA C 10 45.731 45.731 46.391 -0.660 19013 10517 1 19 . 1 1 11 11 ASN N N 11 116.215 116.215 119.965 -3.750 19013 10518 1 19 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.483 -0.216 19013 10519 1 19 . 1 1 11 11 ASN C C 11 174.352 174.352 174.677 -0.325 19013 10520 1 19 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.338 0.129 19013 10521 1 19 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.837 0.647 19013 10522 1 19 . 1 1 12 12 ALA N N 12 121.979 121.979 122.532 -0.553 19013 10523 1 19 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.102 0.883 19013 10524 1 19 . 1 1 12 12 ALA C C 12 177.325 177.325 176.506 0.819 19013 10525 1 19 . 1 1 12 12 ALA CA C 12 50.537 50.537 51.455 -0.918 19013 10526 1 19 . 1 1 12 12 ALA CB C 12 21.830 21.830 20.110 1.720 19013 10527 1 19 . 1 1 13 13 VAL N N 13 116.191 116.191 119.201 -3.010 19013 10528 1 19 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.018 0.308 19013 10529 1 19 . 1 1 13 13 VAL C C 13 175.275 175.275 174.686 0.589 19013 10530 1 19 . 1 1 13 13 VAL CA C 13 58.762 58.762 60.059 -1.297 19013 10531 1 19 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.073 0.088 19013 10532 1 19 . 1 1 14 14 VAL N N 14 119.334 119.334 123.066 -3.732 19013 10533 1 19 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.714 0.524 19013 10534 1 19 . 1 1 14 14 VAL C C 14 174.716 174.716 175.106 -0.390 19013 10535 1 19 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.932 0.364 19013 10536 1 19 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.451 1.929 19013 10537 1 19 . 1 1 15 15 VAL N N 15 127.812 127.812 128.655 -0.843 19013 10538 1 19 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.259 0.049 19013 10539 1 19 . 1 1 15 15 VAL C C 15 176.256 176.256 175.242 1.014 19013 10540 1 19 . 1 1 15 15 VAL CA C 15 60.155 60.155 61.202 -1.047 19013 10541 1 19 . 1 1 15 15 VAL CB C 15 33.301 33.301 33.222 0.079 19013 10542 1 19 . 1 1 16 16 PHE N N 16 122.243 122.243 120.412 1.831 19013 10543 1 19 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.279 0.640 19013 10544 1 19 . 1 1 16 16 PHE C C 16 174.623 174.623 175.062 -0.439 19013 10545 1 19 . 1 1 16 16 PHE CA C 16 56.135 56.135 54.932 1.202 19013 10546 1 19 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.190 -0.097 19013 10547 1 19 . 1 1 17 17 GLY N N 17 106.894 106.894 107.205 -0.311 19013 10548 1 19 . 1 1 17 17 GLY C C 17 174.023 174.023 173.115 0.908 19013 10549 1 19 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.251 -0.290 19013 10550 1 19 . 1 1 18 18 TYR N N 18 115.205 115.205 115.345 -0.140 19013 10551 1 19 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.009 -0.143 19013 10552 1 19 . 1 1 18 18 TYR C C 18 173.847 173.847 173.475 0.372 19013 10553 1 19 . 1 1 18 18 TYR CA C 18 53.165 53.165 54.963 -1.798 19013 10554 1 19 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.668 0.163 19013 10555 1 19 . 1 1 19 19 ARG N N 19 116.814 116.814 120.682 -3.868 19013 10556 1 19 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.571 -0.116 19013 10557 1 19 . 1 1 19 19 ARG C C 19 177.198 177.198 177.595 -0.397 19013 10558 1 19 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.460 0.468 19013 10559 1 19 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.525 -1.804 19013 10560 1 19 . 1 1 20 20 GLU N N 20 125.261 125.261 122.316 2.945 19013 10561 1 19 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.153 -0.096 19013 10562 1 19 . 1 1 20 20 GLU C C 20 180.643 180.643 176.828 3.815 19013 10563 1 19 . 1 1 20 20 GLU CA C 20 59.529 59.529 58.417 1.112 19013 10564 1 19 . 1 1 20 20 GLU CB C 20 29.863 29.863 29.658 0.205 19013 10565 1 19 . 1 1 21 21 ALA N N 21 119.760 119.760 120.045 -0.285 19013 10566 1 19 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.335 0.019 19013 10567 1 19 . 1 1 21 21 ALA C C 21 179.291 179.291 178.437 0.854 19013 10568 1 19 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.079 1.601 19013 10569 1 19 . 1 1 21 21 ALA CB C 21 19.410 19.410 19.305 0.105 19013 10570 1 19 . 1 1 22 22 ILE N N 22 109.751 109.751 113.488 -3.737 19013 10571 1 19 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.501 0.674 19013 10572 1 19 . 1 1 22 22 ILE C C 22 175.636 175.636 176.168 -0.532 19013 10573 1 19 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.629 -0.398 19013 10574 1 19 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.230 1.215 19013 10575 1 19 . 1 1 23 23 THR N N 23 118.763 118.763 118.990 -0.227 19013 10576 1 19 . 1 1 23 23 THR HA H 23 3.375 3.375 3.847 -0.472 19013 10577 1 19 . 1 1 23 23 THR C C 23 175.159 175.159 176.281 -1.122 19013 10578 1 19 . 1 1 23 23 THR CA C 23 68.267 68.267 67.220 1.047 19013 10579 1 19 . 1 1 23 23 THR CB C 23 69.564 69.564 68.702 0.862 19013 10580 1 19 . 1 1 24 24 LYS N N 24 118.723 118.723 119.653 -0.930 19013 10581 1 19 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.015 -0.352 19013 10582 1 19 . 1 1 24 24 LYS C C 24 178.421 178.421 179.159 -0.738 19013 10583 1 19 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.244 1.810 19013 10584 1 19 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.656 0.125 19013 10585 1 19 . 1 1 25 25 GLN N N 25 118.276 118.276 119.352 -1.076 19013 10586 1 19 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.121 -0.078 19013 10587 1 19 . 1 1 25 25 GLN C C 25 179.248 179.248 178.871 0.377 19013 10588 1 19 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.920 0.759 19013 10589 1 19 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.701 -0.456 19013 10590 1 19 . 1 1 26 26 ILE N N 26 122.000 122.000 120.071 1.929 19013 10591 1 19 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.527 0.242 19013 10592 1 19 . 1 1 26 26 ILE C C 26 177.797 177.797 177.458 0.339 19013 10593 1 19 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.788 -1.610 19013 10594 1 19 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.069 -2.478 19013 10595 1 19 . 1 1 27 27 LEU N N 27 119.685 119.685 122.401 -2.716 19013 10596 1 19 . 1 1 27 27 LEU HA H 27 3.918 3.918 3.919 -0.001 19013 10597 1 19 . 1 1 27 27 LEU C C 27 178.173 178.173 177.843 0.330 19013 10598 1 19 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.944 0.363 19013 10599 1 19 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.559 -0.472 19013 10600 1 19 . 1 1 28 28 ALA N N 28 118.927 118.927 119.952 -1.025 19013 10601 1 19 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.081 -0.219 19013 10602 1 19 . 1 1 28 28 ALA C C 28 179.693 179.693 178.614 1.079 19013 10603 1 19 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.697 0.205 19013 10604 1 19 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.250 -0.134 19013 10605 1 19 . 1 1 29 29 TYR N N 29 119.687 119.687 117.631 2.056 19013 10606 1 19 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.265 -0.343 19013 10607 1 19 . 1 1 29 29 TYR C C 29 178.234 178.234 176.610 1.624 19013 10608 1 19 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.796 0.340 19013 10609 1 19 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.641 -1.265 19013 10610 1 19 . 1 1 30 30 PHE N N 30 115.353 115.353 116.372 -1.019 19013 10611 1 19 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.264 -0.335 19013 10612 1 19 . 1 1 30 30 PHE C C 30 180.031 180.031 176.880 3.151 19013 10613 1 19 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.068 2.747 19013 10614 1 19 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.113 -1.162 19013 10615 1 19 . 1 1 31 31 ALA N N 31 125.929 125.929 123.589 2.340 19013 10616 1 19 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.323 0.139 19013 10617 1 19 . 1 1 31 31 ALA C C 31 178.235 178.235 178.901 -0.666 19013 10618 1 19 . 1 1 31 31 ALA CA C 31 53.794 53.794 55.233 -1.438 19013 10619 1 19 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.513 -1.031 19013 10620 1 19 . 1 1 32 32 GLN N N 32 113.541 113.541 116.240 -2.699 19013 10621 1 19 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.092 -0.136 19013 10622 1 19 . 1 1 32 32 GLN C C 32 177.465 177.465 176.878 0.587 19013 10623 1 19 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.509 -1.550 19013 10624 1 19 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.952 0.133 19013 10625 1 19 . 1 1 33 33 PHE N N 33 114.638 114.638 110.896 3.742 19013 10626 1 19 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.928 -0.278 19013 10627 1 19 . 1 1 33 33 PHE C C 33 175.848 175.848 173.746 2.102 19013 10628 1 19 . 1 1 33 33 PHE CA C 33 57.066 57.066 56.179 0.887 19013 10629 1 19 . 1 1 33 33 PHE CB C 33 37.930 37.930 38.960 -1.030 19013 10630 1 19 . 1 1 34 34 GLY N N 34 106.452 106.452 107.473 -1.021 19013 10631 1 19 . 1 1 34 34 GLY C C 34 170.428 170.428 171.705 -1.277 19013 10632 1 19 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.923 -1.359 19013 10633 1 19 . 1 1 35 35 GLU N N 35 118.228 118.228 125.427 -7.199 19013 10634 1 19 . 1 1 35 35 GLU HA H 35 4.166 4.166 3.831 0.335 19013 10635 1 19 . 1 1 35 35 GLU C C 35 175.939 175.939 174.684 1.255 19013 10636 1 19 . 1 1 35 35 GLU CA C 35 57.385 57.385 53.955 3.430 19013 10637 1 19 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.215 -0.100 19013 10638 1 19 . 1 1 36 36 ILE HA H 36 4.564 4.564 3.989 0.575 19013 10639 1 19 . 1 1 36 36 ILE C C 36 176.530 176.530 175.597 0.933 19013 10640 1 19 . 1 1 36 36 ILE CA C 36 59.847 59.847 59.584 0.263 19013 10641 1 19 . 1 1 36 36 ILE CB C 36 41.594 41.594 36.645 4.949 19013 10642 1 19 . 1 1 37 37 LEU N N 37 125.464 125.464 125.270 0.194 19013 10643 1 19 . 1 1 37 37 LEU HA H 37 4.089 4.089 3.833 0.256 19013 10644 1 19 . 1 1 37 37 LEU C C 37 178.470 178.470 176.173 2.297 19013 10645 1 19 . 1 1 37 37 LEU CA C 37 57.114 57.114 56.119 0.995 19013 10646 1 19 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.388 0.788 19013 10647 1 19 . 1 1 38 38 GLU N N 38 120.405 120.405 118.531 1.874 19013 10648 1 19 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.415 -0.236 19013 10649 1 19 . 1 1 38 38 GLU C C 38 175.620 175.620 175.173 0.447 19013 10650 1 19 . 1 1 38 38 GLU CA C 38 58.630 58.630 55.882 2.748 19013 10651 1 19 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.751 -1.200 19013 10652 1 19 . 1 1 39 39 ASP N N 39 117.746 117.746 120.354 -2.608 19013 10653 1 19 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.874 -0.372 19013 10654 1 19 . 1 1 39 39 ASP C C 39 176.811 176.811 175.994 0.817 19013 10655 1 19 . 1 1 39 39 ASP CA C 39 53.870 53.870 52.995 0.875 19013 10656 1 19 . 1 1 39 39 ASP CB C 39 40.381 40.381 39.870 0.511 19013 10657 1 19 . 1 1 40 40 LEU N N 40 127.180 127.180 124.759 2.421 19013 10658 1 19 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.200 0.110 19013 10659 1 19 . 1 1 40 40 LEU C C 40 177.950 177.950 177.508 0.442 19013 10660 1 19 . 1 1 40 40 LEU CA C 40 55.104 55.104 57.008 -1.904 19013 10661 1 19 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.415 -0.709 19013 10662 1 19 . 1 1 41 41 GLU N N 41 120.599 120.599 115.718 4.881 19013 10663 1 19 . 1 1 41 41 GLU HA H 41 3.930 3.930 3.932 -0.002 19013 10664 1 19 . 1 1 41 41 GLU C C 41 178.353 178.353 176.747 1.606 19013 10665 1 19 . 1 1 41 41 GLU CA C 41 59.238 59.238 58.330 0.908 19013 10666 1 19 . 1 1 41 41 GLU CB C 41 29.391 29.391 27.937 1.454 19013 10667 1 19 . 1 1 42 42 SER N N 42 114.356 114.356 119.673 -5.317 19013 10668 1 19 . 1 1 42 42 SER HA H 42 4.209 4.209 4.582 -0.373 19013 10669 1 19 . 1 1 42 42 SER C C 42 175.221 175.221 173.883 1.338 19013 10670 1 19 . 1 1 42 42 SER CA C 42 60.331 60.331 58.083 2.248 19013 10671 1 19 . 1 1 42 42 SER CB C 42 62.849 62.849 63.463 -0.614 19013 10672 1 19 . 1 1 43 43 GLU N N 43 119.711 119.711 126.518 -6.807 19013 10673 1 19 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.420 -0.134 19013 10674 1 19 . 1 1 43 43 GLU C C 43 176.893 176.893 176.403 0.490 19013 10675 1 19 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.741 0.852 19013 10676 1 19 . 1 1 43 43 GLU CB C 43 30.441 30.441 30.177 0.264 19013 10677 1 19 . 1 1 44 44 LEU N N 44 117.788 117.788 119.469 -1.681 19013 10678 1 19 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.726 -0.372 19013 10679 1 19 . 1 1 44 44 LEU C C 44 177.944 177.944 177.406 0.538 19013 10680 1 19 . 1 1 44 44 LEU CA C 44 54.941 54.941 55.054 -0.113 19013 10681 1 19 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.292 -0.917 19013 10682 1 19 . 1 1 45 45 GLY N N 45 108.349 108.349 106.332 2.017 19013 10683 1 19 . 1 1 45 45 GLY C C 45 173.791 173.791 172.704 1.087 19013 10684 1 19 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.260 0.377 19013 10685 1 19 . 1 1 46 46 ASP N N 46 119.869 119.869 116.908 2.961 19013 10686 1 19 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.729 -0.040 19013 10687 1 19 . 1 1 46 46 ASP C C 46 176.628 176.628 176.833 -0.205 19013 10688 1 19 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.650 -0.629 19013 10689 1 19 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.675 -0.579 19013 10690 1 19 . 1 1 47 47 THR N N 47 113.962 113.962 115.540 -1.578 19013 10691 1 19 . 1 1 47 47 THR HA H 47 4.258 4.258 4.213 0.045 19013 10692 1 19 . 1 1 47 47 THR C C 47 175.277 175.277 175.003 0.274 19013 10693 1 19 . 1 1 47 47 THR CA C 47 62.715 62.715 62.656 0.059 19013 10694 1 19 . 1 1 47 47 THR CB C 47 69.504 69.504 68.617 0.887 19013 10695 1 19 . 1 1 48 48 GLU N N 48 121.748 121.748 120.332 1.416 19013 10696 1 19 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.246 -0.011 19013 10697 1 19 . 1 1 48 48 GLU C C 48 177.221 177.221 176.313 0.908 19013 10698 1 19 . 1 1 48 48 GLU CA C 48 57.505 57.505 56.202 1.303 19013 10699 1 19 . 1 1 48 48 GLU CB C 48 29.718 29.718 28.280 1.438 19013 10700 1 19 . 1 1 49 49 THR N N 49 113.781 113.781 114.306 -0.525 19013 10701 1 19 . 1 1 49 49 THR HA H 49 4.160 4.160 4.077 0.083 19013 10702 1 19 . 1 1 49 49 THR C C 49 174.979 174.979 174.584 0.395 19013 10703 1 19 . 1 1 49 49 THR CA C 49 62.989 62.989 64.949 -1.960 19013 10704 1 19 . 1 1 49 49 THR CB C 49 69.198 69.198 69.128 0.070 19013 10705 1 19 . 1 1 50 50 MET N N 50 121.133 121.133 121.691 -0.558 19013 10706 1 19 . 1 1 50 50 MET HA H 50 4.295 4.295 4.473 -0.178 19013 10707 1 19 . 1 1 50 50 MET C C 50 175.846 175.846 174.191 1.655 19013 10708 1 19 . 1 1 50 50 MET CA C 50 55.981 55.981 54.558 1.423 19013 10709 1 19 . 1 1 50 50 MET CB C 50 32.549 32.549 32.566 -0.017 19013 10710 1 19 . 1 1 51 51 ARG N N 51 120.641 120.641 125.708 -5.067 19013 10711 1 19 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.732 -0.394 19013 10712 1 19 . 1 1 51 51 ARG C C 51 176.213 176.213 174.933 1.280 19013 10713 1 19 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.630 0.249 19013 10714 1 19 . 1 1 51 51 ARG CB C 51 30.606 30.606 32.500 -1.894 19013 10715 1 19 . 1 1 52 52 THR N N 52 116.663 116.663 115.988 0.675 19013 10716 1 19 . 1 1 52 52 THR HA H 52 4.564 4.564 4.604 -0.040 19013 10717 1 19 . 1 1 52 52 THR C C 52 172.814 172.814 172.189 0.625 19013 10718 1 19 . 1 1 52 52 THR CA C 52 59.828 59.828 61.318 -1.490 19013 10719 1 19 . 1 1 52 52 THR CB C 52 69.498 69.498 70.839 -1.341 19013 10720 1 19 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.240 0.100 19013 10721 1 19 . 1 1 53 53 PRO C C 53 177.518 177.518 177.524 -0.006 19013 10722 1 19 . 1 1 53 53 PRO CA C 53 63.990 63.990 64.696 -0.706 19013 10723 1 19 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.267 0.650 19013 10724 1 19 . 1 1 54 54 GLY N N 54 108.804 108.804 111.164 -2.360 19013 10725 1 19 . 1 1 54 54 GLY C C 54 174.121 174.121 173.778 0.343 19013 10726 1 19 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.999 0.369 19013 10727 1 19 . 1 1 55 55 TYR N N 55 119.872 119.872 119.327 0.545 19013 10728 1 19 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.535 -0.175 19013 10729 1 19 . 1 1 55 55 TYR C C 55 175.550 175.550 174.539 1.011 19013 10730 1 19 . 1 1 55 55 TYR CA C 55 58.508 58.508 59.941 -1.433 19013 10731 1 19 . 1 1 55 55 TYR CB C 55 38.907 38.907 41.089 -2.182 19013 10732 1 19 . 1 1 56 56 PHE N N 56 121.248 121.248 113.970 7.278 19013 10733 1 19 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.924 -0.495 19013 10734 1 19 . 1 1 56 56 PHE C C 56 175.354 175.354 174.031 1.323 19013 10735 1 19 . 1 1 56 56 PHE CA C 56 58.138 58.138 56.896 1.242 19013 10736 1 19 . 1 1 56 56 PHE CB C 56 39.513 39.513 42.570 -3.057 19013 10737 1 19 . 1 1 57 57 PHE N N 57 121.226 121.226 117.120 4.106 19013 10738 1 19 . 1 1 57 57 PHE HA H 57 4.473 4.473 5.019 -0.546 19013 10739 1 19 . 1 1 57 57 PHE C C 57 175.182 175.182 177.432 -2.250 19013 10740 1 19 . 1 1 57 57 PHE CA C 57 57.826 57.826 56.429 1.397 19013 10741 1 19 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.699 -0.170 19013 10742 1 19 . 1 1 58 58 GLN N N 58 121.160 121.160 117.598 3.562 19013 10743 1 19 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.208 0.024 19013 10744 1 19 . 1 1 58 58 GLN C C 58 175.287 175.287 175.759 -0.472 19013 10745 1 19 . 1 1 58 58 GLN CA C 58 55.406 55.406 56.059 -0.653 19013 10746 1 19 . 1 1 58 58 GLN CB C 58 29.477 29.477 26.819 2.658 19013 10747 1 19 . 1 1 59 59 GLN N N 59 120.923 120.923 120.321 0.602 19013 10748 1 19 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.239 0.047 19013 10749 1 19 . 1 1 59 59 GLN C C 59 175.318 175.318 175.286 0.032 19013 10750 1 19 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.164 -0.867 19013 10751 1 19 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.739 -0.320 19013 10752 1 19 . 1 1 60 60 ALA N N 60 126.737 126.737 130.765 -4.028 19013 10753 1 19 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.557 -0.021 19013 10754 1 19 . 1 1 60 60 ALA C C 60 175.924 175.924 175.998 -0.074 19013 10755 1 19 . 1 1 60 60 ALA CA C 60 50.682 50.682 49.612 1.070 19013 10756 1 19 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.662 -0.489 19013 10757 1 19 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.181 0.223 19013 10758 1 19 . 1 1 61 61 PRO C C 61 176.902 176.902 176.953 -0.051 19013 10759 1 19 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.712 -1.163 19013 10760 1 19 . 1 1 61 61 PRO CB C 61 31.981 31.981 32.062 -0.081 19013 10761 1 19 . 1 1 62 62 ASN N N 62 116.490 116.490 116.396 0.094 19013 10762 1 19 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.736 -0.136 19013 10763 1 19 . 1 1 62 62 ASN C C 62 174.942 174.942 174.825 0.117 19013 10764 1 19 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.784 -0.485 19013 10765 1 19 . 1 1 62 62 ASN CB C 62 38.021 38.021 39.134 -1.113 19013 10766 1 19 . 1 1 63 63 ARG N N 63 120.117 120.117 119.210 0.907 19013 10767 1 19 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.512 -0.151 19013 10768 1 19 . 1 1 63 63 ARG C C 63 175.853 175.853 174.472 1.381 19013 10769 1 19 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.423 1.132 19013 10770 1 19 . 1 1 63 63 ARG CB C 63 31.085 31.085 33.132 -2.047 19013 10771 1 19 . 1 1 64 64 ARG N N 64 123.061 123.061 122.770 0.291 19013 10772 1 19 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.350 -0.050 19013 10773 1 19 . 1 1 64 64 ARG C C 64 175.995 175.995 176.238 -0.243 19013 10774 1 19 . 1 1 64 64 ARG CA C 64 56.003 56.003 57.031 -1.028 19013 10775 1 19 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.112 0.368 19013 10776 1 19 . 1 1 65 65 ARG N N 65 123.698 123.698 123.488 0.210 19013 10777 1 19 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.625 -0.049 19013 10778 1 19 . 1 1 65 65 ARG C C 65 176.085 176.085 176.846 -0.761 19013 10779 1 19 . 1 1 65 65 ARG CA C 65 55.448 55.448 55.529 -0.081 19013 10780 1 19 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.254 0.901 19013 10781 1 19 . 1 1 66 66 ILE N N 66 120.928 120.928 121.637 -0.709 19013 10782 1 19 . 1 1 66 66 ILE HA H 66 4.435 4.435 3.793 0.642 19013 10783 1 19 . 1 1 66 66 ILE C C 66 175.488 175.488 177.092 -1.604 19013 10784 1 19 . 1 1 66 66 ILE CA C 66 60.214 60.214 65.041 -4.827 19013 10785 1 19 . 1 1 66 66 ILE CB C 66 40.154 40.154 38.408 1.746 19013 10786 1 19 . 1 1 67 67 SER N N 67 119.534 119.534 112.845 6.689 19013 10787 1 19 . 1 1 67 67 SER HA H 67 4.431 4.431 4.065 0.366 19013 10788 1 19 . 1 1 67 67 SER C C 67 174.034 174.034 173.706 0.328 19013 10789 1 19 . 1 1 67 67 SER CA C 67 58.599 58.599 59.343 -0.744 19013 10790 1 19 . 1 1 67 67 SER CB C 67 63.499 63.499 62.499 1.000 19013 10791 1 19 . 1 1 68 68 ARG N N 68 124.936 124.936 119.658 5.278 19013 10792 1 19 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.378 0.197 19013 10793 1 19 . 1 1 68 68 ARG C C 68 175.967 175.967 175.672 0.295 19013 10794 1 19 . 1 1 68 68 ARG CA C 68 55.454 55.454 55.268 0.186 19013 10795 1 19 . 1 1 68 68 ARG CB C 68 32.473 32.473 31.248 1.225 19013 10796 1 19 . 1 1 69 69 GLU N N 69 136.462 136.462 123.544 12.918 19013 10797 1 19 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.111 0.394 19013 10798 1 19 . 1 1 69 69 GLU C C 69 174.852 174.852 175.792 -0.940 19013 10799 1 19 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.585 -0.391 19013 10800 1 19 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.645 0.157 19013 10801 1 19 . 1 1 70 70 HIS N N 70 120.728 120.728 118.802 1.926 19013 10802 1 19 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.512 -0.776 19013 10803 1 19 . 1 1 70 70 HIS C C 70 171.455 171.455 172.707 -1.252 19013 10804 1 19 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.996 0.578 19013 10805 1 19 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.003 -0.887 19013 10806 1 19 . 1 1 71 71 GLY N N 71 108.698 108.698 106.195 2.503 19013 10807 1 19 . 1 1 71 71 GLY C C 71 174.611 174.611 172.629 1.982 19013 10808 1 19 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.428 -0.364 19013 10809 1 19 . 1 1 72 72 ARG N N 72 123.350 123.350 120.739 2.611 19013 10810 1 19 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.441 -0.246 19013 10811 1 19 . 1 1 72 72 ARG C C 72 178.495 178.495 176.139 2.356 19013 10812 1 19 . 1 1 72 72 ARG CA C 72 60.196 60.196 55.854 4.342 19013 10813 1 19 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.585 -0.763 19013 10814 1 19 . 1 1 73 73 THR N N 73 103.467 103.467 109.378 -5.911 19013 10815 1 19 . 1 1 73 73 THR HA H 73 4.196 4.196 4.105 0.091 19013 10816 1 19 . 1 1 73 73 THR C C 73 171.300 171.300 172.805 -1.505 19013 10817 1 19 . 1 1 73 73 THR CA C 73 59.336 59.336 63.593 -4.257 19013 10818 1 19 . 1 1 73 73 THR CB C 73 69.837 69.837 68.484 1.353 19013 10819 1 19 . 1 1 74 74 TRP N N 74 112.582 112.582 118.483 -5.901 19013 10820 1 19 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.577 0.130 19013 10821 1 19 . 1 1 74 74 TRP C C 74 176.667 176.667 174.386 2.281 19013 10822 1 19 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.756 0.126 19013 10823 1 19 . 1 1 74 74 TRP CB C 74 32.860 32.860 31.704 1.156 19013 10824 1 19 . 1 1 75 75 THR N N 75 114.629 114.629 119.558 -4.929 19013 10825 1 19 . 1 1 75 75 THR HA H 75 4.594 4.594 4.547 0.047 19013 10826 1 19 . 1 1 75 75 THR C C 75 170.237 170.237 173.045 -2.808 19013 10827 1 19 . 1 1 75 75 THR CA C 75 61.354 61.354 61.502 -0.148 19013 10828 1 19 . 1 1 75 75 THR CB C 75 69.887 69.887 72.303 -2.416 19013 10829 1 19 . 1 1 76 76 LYS N N 76 130.596 130.596 128.529 2.067 19013 10830 1 19 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.223 0.499 19013 10831 1 19 . 1 1 76 76 LYS C C 76 177.934 177.934 175.642 2.292 19013 10832 1 19 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.517 0.523 19013 10833 1 19 . 1 1 76 76 LYS CB C 76 35.170 35.170 34.049 1.121 19013 10834 1 19 . 1 1 77 77 LEU N N 77 128.006 128.006 129.315 -1.309 19013 10835 1 19 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.578 -0.291 19013 10836 1 19 . 1 1 77 77 LEU C C 77 174.557 174.557 175.172 -0.615 19013 10837 1 19 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.880 1.418 19013 10838 1 19 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.622 2.478 19013 10839 1 19 . 1 1 78 78 THR N N 78 123.666 123.666 120.120 3.546 19013 10840 1 19 . 1 1 78 78 THR HA H 78 4.435 4.435 4.546 -0.111 19013 10841 1 19 . 1 1 78 78 THR C C 78 174.067 174.067 173.585 0.482 19013 10842 1 19 . 1 1 78 78 THR CA C 78 62.500 62.500 61.645 0.855 19013 10843 1 19 . 1 1 78 78 THR CB C 78 67.902 67.902 70.270 -2.368 19013 10844 1 19 . 1 1 79 79 TYR N N 79 125.290 125.290 125.116 0.174 19013 10845 1 19 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.952 -0.000 19013 10846 1 19 . 1 1 79 79 TYR C C 79 176.523 176.523 175.739 0.784 19013 10847 1 19 . 1 1 79 79 TYR CA C 79 59.379 59.379 56.769 2.610 19013 10848 1 19 . 1 1 79 79 TYR CB C 79 39.819 39.819 39.504 0.315 19013 10849 1 19 . 1 1 80 80 ALA N N 80 121.971 121.971 120.962 1.009 19013 10850 1 19 . 1 1 80 80 ALA HA H 80 4.060 4.060 4.031 0.029 19013 10851 1 19 . 1 1 80 80 ALA C C 80 177.255 177.255 176.426 0.829 19013 10852 1 19 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.374 0.556 19013 10853 1 19 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.808 1.378 19013 10854 1 19 . 1 1 81 81 ASN N N 81 112.786 112.786 117.010 -4.224 19013 10855 1 19 . 1 1 81 81 ASN HA H 81 5.097 5.097 5.097 -0.000 19013 10856 1 19 . 1 1 81 81 ASN C C 81 175.438 175.438 175.398 0.040 19013 10857 1 19 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.246 -0.758 19013 10858 1 19 . 1 1 81 81 ASN CB C 81 41.430 41.430 41.327 0.103 19013 10859 1 19 . 1 1 82 82 HIS N N 82 123.560 123.560 120.730 2.830 19013 10860 1 19 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.574 -0.287 19013 10861 1 19 . 1 1 82 82 HIS C C 82 176.494 176.494 176.431 0.063 19013 10862 1 19 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.687 0.404 19013 10863 1 19 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.454 -0.891 19013 10864 1 19 . 1 1 83 83 SER N N 83 114.623 114.623 115.842 -1.219 19013 10865 1 19 . 1 1 83 83 SER HA H 83 4.095 4.095 3.924 0.171 19013 10866 1 19 . 1 1 83 83 SER C C 83 177.619 177.619 176.895 0.724 19013 10867 1 19 . 1 1 83 83 SER CA C 83 61.637 61.637 61.781 -0.144 19013 10868 1 19 . 1 1 83 83 SER CB C 83 61.644 61.644 62.410 -0.766 19013 10869 1 19 . 1 1 84 84 SER N N 84 120.863 120.863 116.448 4.415 19013 10870 1 19 . 1 1 84 84 SER HA H 84 3.935 3.935 4.109 -0.174 19013 10871 1 19 . 1 1 84 84 SER C C 84 173.466 173.466 175.743 -2.277 19013 10872 1 19 . 1 1 84 84 SER CA C 84 62.250 62.250 59.590 2.660 19013 10873 1 19 . 1 1 84 84 SER CB C 84 62.700 62.700 62.609 0.091 19013 10874 1 19 . 1 1 85 85 TYR N N 85 122.263 122.263 124.337 -2.074 19013 10875 1 19 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.307 -0.538 19013 10876 1 19 . 1 1 85 85 TYR C C 85 175.010 175.010 177.457 -2.447 19013 10877 1 19 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.770 -1.097 19013 10878 1 19 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.248 -0.623 19013 10879 1 19 . 1 1 86 86 LEU N N 86 117.366 117.366 118.717 -1.351 19013 10880 1 19 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.837 -0.300 19013 10881 1 19 . 1 1 86 86 LEU C C 86 179.942 179.942 178.742 1.200 19013 10882 1 19 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.627 -0.357 19013 10883 1 19 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.851 -0.157 19013 10884 1 19 . 1 1 87 87 ARG N N 87 118.578 118.578 117.854 0.724 19013 10885 1 19 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.778 0.070 19013 10886 1 19 . 1 1 87 87 ARG C C 87 178.784 178.784 178.761 0.023 19013 10887 1 19 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.834 -1.393 19013 10888 1 19 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.506 -0.565 19013 10889 1 19 . 1 1 88 88 ALA N N 88 123.868 123.868 120.527 3.341 19013 10890 1 19 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.351 -0.808 19013 10891 1 19 . 1 1 88 88 ALA C C 88 179.517 179.517 178.455 1.062 19013 10892 1 19 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.451 1.963 19013 10893 1 19 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.572 -0.430 19013 10894 1 19 . 1 1 89 89 LEU N N 89 114.573 114.573 118.019 -3.446 19013 10895 1 19 . 1 1 89 89 LEU HA H 89 3.924 3.924 3.938 -0.014 19013 10896 1 19 . 1 1 89 89 LEU C C 89 180.088 180.088 176.737 3.351 19013 10897 1 19 . 1 1 89 89 LEU CA C 89 57.417 57.417 56.357 1.060 19013 10898 1 19 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.755 0.131 19013 10899 1 19 . 1 1 90 90 ARG N N 90 116.735 116.735 115.655 1.080 19013 10900 1 19 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.090 0.042 19013 10901 1 19 . 1 1 90 90 ARG C C 90 177.429 177.429 176.193 1.236 19013 10902 1 19 . 1 1 90 90 ARG CA C 90 57.799 57.799 57.642 0.157 19013 10903 1 19 . 1 1 90 90 ARG CB C 90 29.834 29.834 28.654 1.180 19013 10904 1 19 . 1 1 91 91 GLU N N 91 115.787 115.787 120.167 -4.380 19013 10905 1 19 . 1 1 91 91 GLU HA H 91 4.147 4.147 3.937 0.210 19013 10906 1 19 . 1 1 91 91 GLU C C 91 176.303 176.303 175.370 0.933 19013 10907 1 19 . 1 1 91 91 GLU CA C 91 55.336 55.336 57.526 -2.190 19013 10908 1 19 . 1 1 91 91 GLU CB C 91 29.705 29.705 28.160 1.544 19013 10909 1 19 . 1 1 92 92 HIS N N 92 118.997 118.997 117.459 1.538 19013 10910 1 19 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.746 -0.475 19013 10911 1 19 . 1 1 92 92 HIS C C 92 176.823 176.823 175.960 0.863 19013 10912 1 19 . 1 1 92 92 HIS CA C 92 59.453 59.453 54.913 4.540 19013 10913 1 19 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.279 1.533 19013 10914 1 19 . 1 1 93 93 GLY N N 93 116.944 116.944 110.507 6.437 19013 10915 1 19 . 1 1 93 93 GLY C C 93 174.512 174.512 174.135 0.377 19013 10916 1 19 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.431 -0.455 19013 10917 1 19 . 1 1 94 94 THR N N 94 117.838 117.838 116.625 1.213 19013 10918 1 19 . 1 1 94 94 THR HA H 94 4.059 4.059 4.377 -0.318 19013 10919 1 19 . 1 1 94 94 THR C C 94 172.656 172.656 173.438 -0.782 19013 10920 1 19 . 1 1 94 94 THR CA C 94 63.330 63.330 63.724 -0.394 19013 10921 1 19 . 1 1 94 94 THR CB C 94 69.936 69.936 68.343 1.593 19013 10922 1 19 . 1 1 95 95 ILE N N 95 124.155 124.155 127.547 -3.392 19013 10923 1 19 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.441 -0.053 19013 10924 1 19 . 1 1 95 95 ILE C C 95 175.534 175.534 174.772 0.762 19013 10925 1 19 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.683 -0.906 19013 10926 1 19 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.619 -3.629 19013 10927 1 19 . 1 1 96 96 TYR N N 96 130.370 130.370 128.206 2.164 19013 10928 1 19 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.742 -0.179 19013 10929 1 19 . 1 1 96 96 TYR C C 96 174.539 174.539 175.549 -1.010 19013 10930 1 19 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.305 -0.849 19013 10931 1 19 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.557 0.170 19013 10932 1 19 . 1 1 97 97 CYS N N 97 123.936 123.936 125.815 -1.879 19013 10933 1 19 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.942 -0.284 19013 10934 1 19 . 1 1 97 97 CYS C C 97 175.798 175.798 175.503 0.295 19013 10935 1 19 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.594 1.227 19013 10936 1 19 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.115 -0.636 19013 10937 1 19 . 1 1 98 98 GLY N N 98 103.268 103.268 104.930 -1.662 19013 10938 1 19 . 1 1 98 98 GLY C C 98 173.270 173.270 173.313 -0.043 19013 10939 1 19 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.716 0.596 19013 10940 1 19 . 1 1 99 99 ALA N N 99 123.511 123.511 122.967 0.544 19013 10941 1 19 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.706 -0.011 19013 10942 1 19 . 1 1 99 99 ALA C C 99 175.215 175.215 175.356 -0.141 19013 10943 1 19 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.974 -0.196 19013 10944 1 19 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.678 0.077 19013 10945 1 19 . 1 1 100 100 ALA N N 100 124.957 124.957 124.560 0.397 19013 10946 1 19 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.366 -0.733 19013 10947 1 19 . 1 1 100 100 ALA C C 100 177.477 177.477 177.864 -0.387 19013 10948 1 19 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.951 0.572 19013 10949 1 19 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.513 -1.344 19013 10950 1 19 . 1 1 101 101 ILE N N 101 121.598 121.598 119.270 2.328 19013 10951 1 19 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.432 0.023 19013 10952 1 19 . 1 1 101 101 ILE C C 101 175.956 175.956 175.352 0.604 19013 10953 1 19 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.646 0.318 19013 10954 1 19 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.818 1.017 19013 10955 1 19 . 1 1 102 102 GLY N N 102 113.717 113.717 111.575 2.142 19013 10956 1 19 . 1 1 102 102 GLY C C 102 172.857 172.857 172.708 0.149 19013 10957 1 19 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.760 -1.316 19013 10958 1 19 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.409 0.125 19013 10959 1 19 . 1 1 103 103 CYS C C 103 172.624 172.624 173.860 -1.236 19013 10960 1 19 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.610 2.093 19013 10961 1 19 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.098 -1.755 19013 10962 1 19 . 1 1 104 104 VAL N N 104 118.519 118.519 121.390 -2.871 19013 10963 1 19 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.769 0.136 19013 10964 1 19 . 1 1 104 104 VAL C C 104 172.705 172.705 173.403 -0.698 19013 10965 1 19 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.194 -0.781 19013 10966 1 19 . 1 1 104 104 VAL CB C 104 33.103 33.103 34.390 -1.287 19013 10967 1 19 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.690 -0.075 19013 10968 1 19 . 1 1 105 105 PRO C C 105 176.557 176.557 176.707 -0.150 19013 10969 1 19 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.706 0.848 19013 10970 1 19 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.445 0.221 19013 10971 1 19 . 1 1 106 106 TYR N N 106 121.923 121.923 124.543 -2.620 19013 10972 1 19 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.308 -0.478 19013 10973 1 19 . 1 1 106 106 TYR C C 106 174.643 174.643 174.617 0.026 19013 10974 1 19 . 1 1 106 106 TYR CA C 106 61.018 61.018 59.891 1.127 19013 10975 1 19 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.613 0.774 19013 10976 1 19 . 1 1 107 107 LYS N N 107 124.087 124.087 128.134 -4.047 19013 10977 1 19 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.524 -0.343 19013 10978 1 19 . 1 1 107 107 LYS C C 107 176.443 176.443 175.858 0.585 19013 10979 1 19 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.717 0.060 19013 10980 1 19 . 1 1 107 107 LYS CB C 107 35.925 35.925 35.133 0.792 19013 10981 1 19 . 1 1 108 108 HIS N N 108 124.171 124.171 124.888 -0.717 19013 10982 1 19 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.012 -0.052 19013 10983 1 19 . 1 1 108 108 HIS C C 108 176.998 176.998 176.454 0.544 19013 10984 1 19 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.241 -0.642 19013 10985 1 19 . 1 1 108 108 HIS CB C 108 28.548 28.548 30.405 -1.857 19013 10986 1 19 . 1 1 109 109 GLU N N 109 118.941 118.941 119.392 -0.451 19013 10987 1 19 . 1 1 109 109 GLU HA H 109 3.913 3.913 4.010 -0.097 19013 10988 1 19 . 1 1 109 109 GLU C C 109 177.738 177.738 177.872 -0.134 19013 10989 1 19 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.024 0.313 19013 10990 1 19 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.950 -0.231 19013 10991 1 19 . 1 1 110 110 LEU N N 110 118.555 118.555 120.153 -1.598 19013 10992 1 19 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.948 0.053 19013 10993 1 19 . 1 1 110 110 LEU C C 110 177.872 177.872 178.290 -0.418 19013 10994 1 19 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.514 -1.141 19013 10995 1 19 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.616 0.339 19013 10996 1 19 . 1 1 111 111 ILE N N 111 117.129 117.129 118.089 -0.960 19013 10997 1 19 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.291 -0.321 19013 10998 1 19 . 1 1 111 111 ILE C C 111 178.773 178.773 177.996 0.777 19013 10999 1 19 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.456 -0.718 19013 11000 1 19 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.803 -0.386 19013 11001 1 19 . 1 1 112 112 SER N N 112 116.165 116.165 116.003 0.162 19013 11002 1 19 . 1 1 112 112 SER HA H 112 4.000 4.000 3.925 0.075 19013 11003 1 19 . 1 1 112 112 SER C C 112 176.313 176.313 176.896 -0.583 19013 11004 1 19 . 1 1 112 112 SER CA C 112 61.433 61.433 62.357 -0.924 19013 11005 1 19 . 1 1 112 112 SER CB C 112 62.188 62.188 62.777 -0.589 19013 11006 1 19 . 1 1 113 113 GLU N N 113 120.732 120.732 120.969 -0.237 19013 11007 1 19 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.987 -0.001 19013 11008 1 19 . 1 1 113 113 GLU C C 113 178.799 178.799 179.134 -0.335 19013 11009 1 19 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.949 -0.428 19013 11010 1 19 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.562 -0.180 19013 11011 1 19 . 1 1 114 114 LEU N N 114 119.452 119.452 119.059 0.393 19013 11012 1 19 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.605 0.118 19013 11013 1 19 . 1 1 114 114 LEU C C 114 179.184 179.184 179.082 0.102 19013 11014 1 19 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.152 -0.468 19013 11015 1 19 . 1 1 114 114 LEU CB C 114 39.987 39.987 40.812 -0.825 19013 11016 1 19 . 1 1 115 115 SER N N 115 112.708 112.708 114.166 -1.458 19013 11017 1 19 . 1 1 115 115 SER HA H 115 4.615 4.615 4.420 0.195 19013 11018 1 19 . 1 1 115 115 SER C C 115 174.994 174.994 175.846 -0.852 19013 11019 1 19 . 1 1 115 115 SER CA C 115 59.706 59.706 60.865 -1.159 19013 11020 1 19 . 1 1 115 115 SER CB C 115 63.512 63.512 63.111 0.401 19013 11021 1 19 . 1 1 116 116 ARG N N 116 121.600 121.600 119.044 2.556 19013 11022 1 19 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.237 0.004 19013 11023 1 19 . 1 1 116 116 ARG C C 116 176.893 176.893 176.290 0.603 19013 11024 1 19 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.405 0.617 19013 11025 1 19 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.298 -0.135 19013 11026 1 19 . 1 1 117 117 GLU N N 117 120.450 120.450 115.243 5.207 19013 11027 1 19 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.166 0.074 19013 11028 1 19 . 1 1 117 117 GLU C C 117 177.260 177.260 176.975 0.285 19013 11029 1 19 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.233 -0.190 19013 11030 1 19 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.330 2.433 19013 11031 1 19 . 1 1 118 118 GLY N N 118 108.905 108.905 107.930 0.975 19013 11032 1 19 . 1 1 118 118 GLY C C 118 174.225 174.225 173.367 0.858 19013 11033 1 19 . 1 1 118 118 GLY CA C 118 45.383 45.383 44.218 1.165 19013 11034 1 19 . 1 1 119 119 HIS N N 119 117.625 117.625 117.853 -0.228 19013 11035 1 19 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.254 0.405 19013 11036 1 19 . 1 1 119 119 HIS C C 119 174.439 174.439 173.261 1.178 19013 11037 1 19 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.914 -0.501 19013 11038 1 19 . 1 1 119 119 HIS CB C 119 28.904 28.904 30.242 -1.339 19013 11039 1 19 . 1 1 120 120 HIS N N 120 119.015 119.015 122.780 -3.765 19013 11040 1 19 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.287 0.385 19013 11041 1 19 . 1 1 120 120 HIS C C 120 174.259 174.259 174.642 -0.383 19013 11042 1 19 . 1 1 120 120 HIS CA C 120 55.321 55.321 56.188 -0.867 19013 11043 1 19 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.803 -0.705 19013 11044 1 19 . 1 1 121 121 HIS N N 121 119.872 119.872 123.781 -3.909 19013 11045 1 19 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.459 0.221 19013 11046 1 19 . 1 1 121 121 HIS C C 121 174.245 174.245 174.901 -0.656 19013 11047 1 19 . 1 1 121 121 HIS CA C 121 55.389 55.389 55.924 -0.535 19013 11048 1 19 . 1 1 121 121 HIS CB C 121 29.259 29.259 29.918 -0.659 19013 11049 1 19 . 1 1 122 122 HIS N N 122 120.597 120.597 122.730 -2.133 19013 11050 1 19 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.495 0.192 19013 11051 1 19 . 1 1 122 122 HIS C C 122 174.101 174.101 174.664 -0.563 19013 11052 1 19 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.048 -0.662 19013 11053 1 19 . 1 1 122 122 HIS CB C 122 29.349 29.349 29.137 0.212 19013 11054 1 19 . 1 1 123 123 HIS N N 123 120.680 120.680 125.430 -4.750 19013 11055 1 19 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.484 0.172 19013 11056 1 19 . 1 1 123 123 HIS C C 123 173.591 173.591 174.383 -0.792 19013 11057 1 19 . 1 1 123 123 HIS CA C 123 55.563 55.563 55.923 -0.360 19013 11058 1 19 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.388 0.068 19013 11059 1 20 . 1 1 2 2 SER HA H 2 4.167 4.167 4.491 -0.324 19013 11060 1 20 . 1 1 2 2 SER C C 2 170.960 170.960 174.803 -3.843 19013 11061 1 20 . 1 1 2 2 SER CA C 2 57.139 57.139 59.328 -2.189 19013 11062 1 20 . 1 1 2 2 SER CB C 2 63.027 63.027 63.626 -0.599 19013 11063 1 20 . 1 1 3 3 LEU N N 3 123.102 123.102 119.294 3.808 19013 11064 1 20 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.713 -0.298 19013 11065 1 20 . 1 1 3 3 LEU C C 3 177.886 177.886 176.289 1.597 19013 11066 1 20 . 1 1 3 3 LEU CA C 3 55.625 55.625 54.092 1.533 19013 11067 1 20 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.730 -0.397 19013 11068 1 20 . 1 1 4 4 GLY N N 4 110.546 110.546 109.726 0.820 19013 11069 1 20 . 1 1 4 4 GLY C C 4 174.473 174.473 173.895 0.578 19013 11070 1 20 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.169 0.101 19013 11071 1 20 . 1 1 5 5 SER N N 5 115.839 115.839 114.043 1.796 19013 11072 1 20 . 1 1 5 5 SER HA H 5 4.472 4.472 4.454 0.018 19013 11073 1 20 . 1 1 5 5 SER C C 5 175.085 175.085 173.241 1.844 19013 11074 1 20 . 1 1 5 5 SER CA C 5 58.419 58.419 56.849 1.570 19013 11075 1 20 . 1 1 5 5 SER CB C 5 63.648 63.648 65.363 -1.715 19013 11076 1 20 . 1 1 6 6 GLU N N 6 122.855 122.855 125.531 -2.676 19013 11077 1 20 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.578 -0.238 19013 11078 1 20 . 1 1 6 6 GLU C C 6 176.767 176.767 175.609 1.158 19013 11079 1 20 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.004 1.016 19013 11080 1 20 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.072 0.713 19013 11081 1 20 . 1 1 7 7 SER N N 7 116.046 116.046 119.390 -3.344 19013 11082 1 20 . 1 1 7 7 SER HA H 7 4.444 4.444 4.708 -0.264 19013 11083 1 20 . 1 1 7 7 SER C C 7 174.946 174.946 174.310 0.636 19013 11084 1 20 . 1 1 7 7 SER CA C 7 58.587 58.587 57.327 1.260 19013 11085 1 20 . 1 1 7 7 SER CB C 7 63.645 63.645 64.939 -1.294 19013 11086 1 20 . 1 1 8 8 GLU N N 8 122.758 122.758 117.539 5.219 19013 11087 1 20 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.573 -0.201 19013 11088 1 20 . 1 1 8 8 GLU C C 8 176.929 176.929 176.854 0.075 19013 11089 1 20 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.134 0.768 19013 11090 1 20 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.360 0.477 19013 11091 1 20 . 1 1 9 9 THR N N 9 113.221 113.221 119.129 -5.908 19013 11092 1 20 . 1 1 9 9 THR HA H 9 4.295 4.295 4.309 -0.013 19013 11093 1 20 . 1 1 9 9 THR C C 9 175.371 175.371 174.523 0.848 19013 11094 1 20 . 1 1 9 9 THR CA C 9 62.279 62.279 62.812 -0.533 19013 11095 1 20 . 1 1 9 9 THR CB C 9 69.828 69.828 68.010 1.818 19013 11096 1 20 . 1 1 10 10 GLY N N 10 110.774 110.774 108.991 1.783 19013 11097 1 20 . 1 1 10 10 GLY C C 10 173.283 173.283 174.602 -1.319 19013 11098 1 20 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.309 0.422 19013 11099 1 20 . 1 1 11 11 ASN N N 11 116.215 116.215 117.545 -1.330 19013 11100 1 20 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.519 -0.252 19013 11101 1 20 . 1 1 11 11 ASN C C 11 174.352 174.352 173.449 0.903 19013 11102 1 20 . 1 1 11 11 ASN CA C 11 52.467 52.467 51.167 1.300 19013 11103 1 20 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.559 0.924 19013 11104 1 20 . 1 1 12 12 ALA N N 12 121.979 121.979 120.704 1.275 19013 11105 1 20 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.265 0.720 19013 11106 1 20 . 1 1 12 12 ALA C C 12 177.325 177.325 175.865 1.460 19013 11107 1 20 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.634 -0.097 19013 11108 1 20 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.580 0.250 19013 11109 1 20 . 1 1 13 13 VAL N N 13 116.191 116.191 115.404 0.787 19013 11110 1 20 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.230 0.096 19013 11111 1 20 . 1 1 13 13 VAL C C 13 175.275 175.275 174.204 1.071 19013 11112 1 20 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.221 -0.459 19013 11113 1 20 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.442 -0.281 19013 11114 1 20 . 1 1 14 14 VAL N N 14 119.334 119.334 121.086 -1.752 19013 11115 1 20 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.873 0.365 19013 11116 1 20 . 1 1 14 14 VAL C C 14 174.716 174.716 175.636 -0.920 19013 11117 1 20 . 1 1 14 14 VAL CA C 14 61.296 61.296 60.813 0.483 19013 11118 1 20 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.198 2.182 19013 11119 1 20 . 1 1 15 15 VAL N N 15 127.812 127.812 128.405 -0.593 19013 11120 1 20 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.125 0.183 19013 11121 1 20 . 1 1 15 15 VAL C C 15 176.256 176.256 176.140 0.116 19013 11122 1 20 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.841 -0.686 19013 11123 1 20 . 1 1 15 15 VAL CB C 15 33.301 33.301 31.885 1.416 19013 11124 1 20 . 1 1 16 16 PHE N N 16 122.243 122.243 120.899 1.344 19013 11125 1 20 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.547 0.372 19013 11126 1 20 . 1 1 16 16 PHE C C 16 174.623 174.623 174.950 -0.327 19013 11127 1 20 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.612 0.523 19013 11128 1 20 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.096 -0.003 19013 11129 1 20 . 1 1 17 17 GLY N N 17 106.894 106.894 106.957 -0.063 19013 11130 1 20 . 1 1 17 17 GLY C C 17 174.023 174.023 172.887 1.136 19013 11131 1 20 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.529 -0.568 19013 11132 1 20 . 1 1 18 18 TYR N N 18 115.205 115.205 113.803 1.402 19013 11133 1 20 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.138 -0.272 19013 11134 1 20 . 1 1 18 18 TYR C C 18 173.847 173.847 173.370 0.477 19013 11135 1 20 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.169 -2.004 19013 11136 1 20 . 1 1 18 18 TYR CB C 18 39.831 39.831 40.072 -0.241 19013 11137 1 20 . 1 1 19 19 ARG N N 19 116.814 116.814 119.109 -2.295 19013 11138 1 20 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.664 -0.209 19013 11139 1 20 . 1 1 19 19 ARG C C 19 177.198 177.198 176.577 0.621 19013 11140 1 20 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.325 0.603 19013 11141 1 20 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.809 -2.088 19013 11142 1 20 . 1 1 20 20 GLU N N 20 125.261 125.261 122.070 3.191 19013 11143 1 20 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.335 -0.278 19013 11144 1 20 . 1 1 20 20 GLU C C 20 180.643 180.643 175.485 5.158 19013 11145 1 20 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.060 2.469 19013 11146 1 20 . 1 1 20 20 GLU CB C 20 29.863 29.863 27.803 2.060 19013 11147 1 20 . 1 1 21 21 ALA N N 21 119.760 119.760 121.790 -2.030 19013 11148 1 20 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.515 -0.161 19013 11149 1 20 . 1 1 21 21 ALA C C 21 179.291 179.291 177.778 1.513 19013 11150 1 20 . 1 1 21 21 ALA CA C 21 54.680 54.680 52.314 2.366 19013 11151 1 20 . 1 1 21 21 ALA CB C 21 19.410 19.410 21.152 -1.742 19013 11152 1 20 . 1 1 22 22 ILE N N 22 109.751 109.751 115.221 -5.470 19013 11153 1 20 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.860 0.315 19013 11154 1 20 . 1 1 22 22 ILE C C 22 175.636 175.636 176.669 -1.033 19013 11155 1 20 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.491 -0.260 19013 11156 1 20 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.967 0.478 19013 11157 1 20 . 1 1 23 23 THR N N 23 118.763 118.763 119.394 -0.631 19013 11158 1 20 . 1 1 23 23 THR HA H 23 3.375 3.375 3.918 -0.543 19013 11159 1 20 . 1 1 23 23 THR C C 23 175.159 175.159 176.409 -1.250 19013 11160 1 20 . 1 1 23 23 THR CA C 23 68.267 68.267 66.463 1.804 19013 11161 1 20 . 1 1 23 23 THR CB C 23 69.564 69.564 68.758 0.806 19013 11162 1 20 . 1 1 24 24 LYS N N 24 118.723 118.723 119.273 -0.550 19013 11163 1 20 . 1 1 24 24 LYS HA H 24 3.663 3.663 3.991 -0.328 19013 11164 1 20 . 1 1 24 24 LYS C C 24 178.421 178.421 179.241 -0.820 19013 11165 1 20 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.350 1.704 19013 11166 1 20 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.676 0.105 19013 11167 1 20 . 1 1 25 25 GLN N N 25 118.276 118.276 118.522 -0.246 19013 11168 1 20 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.166 -0.123 19013 11169 1 20 . 1 1 25 25 GLN C C 25 179.248 179.248 179.027 0.221 19013 11170 1 20 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.468 1.212 19013 11171 1 20 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.887 -0.642 19013 11172 1 20 . 1 1 26 26 ILE N N 26 122.000 122.000 120.778 1.222 19013 11173 1 20 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.614 0.155 19013 11174 1 20 . 1 1 26 26 ILE C C 26 177.797 177.797 177.544 0.253 19013 11175 1 20 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.500 -1.322 19013 11176 1 20 . 1 1 26 26 ILE CB C 26 35.591 35.591 38.322 -2.731 19013 11177 1 20 . 1 1 27 27 LEU N N 27 119.685 119.685 121.516 -1.831 19013 11178 1 20 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.042 -0.124 19013 11179 1 20 . 1 1 27 27 LEU C C 27 178.173 178.173 177.538 0.635 19013 11180 1 20 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.578 0.729 19013 11181 1 20 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.458 -0.371 19013 11182 1 20 . 1 1 28 28 ALA N N 28 118.927 118.927 120.525 -1.598 19013 11183 1 20 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.007 -0.145 19013 11184 1 20 . 1 1 28 28 ALA C C 28 179.693 179.693 178.793 0.900 19013 11185 1 20 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.686 0.216 19013 11186 1 20 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.207 -0.091 19013 11187 1 20 . 1 1 29 29 TYR N N 29 119.687 119.687 117.696 1.991 19013 11188 1 20 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.283 -0.361 19013 11189 1 20 . 1 1 29 29 TYR C C 29 178.234 178.234 176.632 1.602 19013 11190 1 20 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.738 0.398 19013 11191 1 20 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.958 -1.582 19013 11192 1 20 . 1 1 30 30 PHE N N 30 115.353 115.353 115.479 -0.126 19013 11193 1 20 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.610 -0.681 19013 11194 1 20 . 1 1 30 30 PHE C C 30 180.031 180.031 177.203 2.828 19013 11195 1 20 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.435 2.380 19013 11196 1 20 . 1 1 30 30 PHE CB C 30 37.951 37.951 39.248 -1.297 19013 11197 1 20 . 1 1 31 31 ALA N N 31 125.929 125.929 123.863 2.066 19013 11198 1 20 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.287 0.175 19013 11199 1 20 . 1 1 31 31 ALA C C 31 178.235 178.235 178.729 -0.494 19013 11200 1 20 . 1 1 31 31 ALA CA C 31 53.794 53.794 55.261 -1.467 19013 11201 1 20 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.333 -0.851 19013 11202 1 20 . 1 1 32 32 GLN N N 32 113.541 113.541 115.595 -2.054 19013 11203 1 20 . 1 1 32 32 GLN HA H 32 3.956 3.956 4.186 -0.230 19013 11204 1 20 . 1 1 32 32 GLN C C 32 177.465 177.465 176.536 0.929 19013 11205 1 20 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.038 -1.079 19013 11206 1 20 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.179 0.906 19013 11207 1 20 . 1 1 33 33 PHE N N 33 114.638 114.638 112.975 1.663 19013 11208 1 20 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.744 -0.094 19013 11209 1 20 . 1 1 33 33 PHE C C 33 175.848 175.848 174.783 1.065 19013 11210 1 20 . 1 1 33 33 PHE CA C 33 57.066 57.066 58.075 -1.010 19013 11211 1 20 . 1 1 33 33 PHE CB C 33 37.930 37.930 41.592 -3.662 19013 11212 1 20 . 1 1 34 34 GLY N N 34 106.452 106.452 104.656 1.796 19013 11213 1 20 . 1 1 34 34 GLY C C 34 170.428 170.428 171.786 -1.358 19013 11214 1 20 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.344 -0.780 19013 11215 1 20 . 1 1 35 35 GLU N N 35 118.228 118.228 120.720 -2.492 19013 11216 1 20 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.528 -0.362 19013 11217 1 20 . 1 1 35 35 GLU C C 35 175.939 175.939 174.873 1.066 19013 11218 1 20 . 1 1 35 35 GLU CA C 35 57.385 57.385 54.871 2.514 19013 11219 1 20 . 1 1 35 35 GLU CB C 35 30.115 30.115 31.137 -1.022 19013 11220 1 20 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.240 0.324 19013 11221 1 20 . 1 1 36 36 ILE C C 36 176.530 176.530 174.860 1.670 19013 11222 1 20 . 1 1 36 36 ILE CA C 36 59.847 59.847 60.411 -0.564 19013 11223 1 20 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.929 1.665 19013 11224 1 20 . 1 1 37 37 LEU N N 37 125.464 125.464 120.974 4.490 19013 11225 1 20 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.027 0.062 19013 11226 1 20 . 1 1 37 37 LEU C C 37 178.470 178.470 176.136 2.334 19013 11227 1 20 . 1 1 37 37 LEU CA C 37 57.114 57.114 55.073 2.041 19013 11228 1 20 . 1 1 37 37 LEU CB C 37 42.176 42.176 41.532 0.643 19013 11229 1 20 . 1 1 38 38 GLU N N 38 120.405 120.405 120.748 -0.343 19013 11230 1 20 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.274 -0.095 19013 11231 1 20 . 1 1 38 38 GLU C C 38 175.620 175.620 176.260 -0.640 19013 11232 1 20 . 1 1 38 38 GLU CA C 38 58.630 58.630 55.571 3.059 19013 11233 1 20 . 1 1 38 38 GLU CB C 38 29.551 29.551 28.311 1.240 19013 11234 1 20 . 1 1 39 39 ASP N N 39 117.746 117.746 121.773 -4.027 19013 11235 1 20 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.520 -0.018 19013 11236 1 20 . 1 1 39 39 ASP C C 39 176.811 176.811 175.674 1.137 19013 11237 1 20 . 1 1 39 39 ASP CA C 39 53.870 53.870 53.303 0.567 19013 11238 1 20 . 1 1 39 39 ASP CB C 39 40.381 40.381 42.261 -1.881 19013 11239 1 20 . 1 1 40 40 LEU N N 40 127.180 127.180 112.663 14.517 19013 11240 1 20 . 1 1 40 40 LEU HA H 40 4.310 4.310 5.039 -0.729 19013 11241 1 20 . 1 1 40 40 LEU C C 40 177.950 177.950 177.022 0.928 19013 11242 1 20 . 1 1 40 40 LEU CA C 40 55.104 55.104 53.824 1.280 19013 11243 1 20 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.967 -1.261 19013 11244 1 20 . 1 1 41 41 GLU N N 41 120.599 120.599 120.021 0.578 19013 11245 1 20 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.292 -0.362 19013 11246 1 20 . 1 1 41 41 GLU C C 41 178.353 178.353 175.886 2.467 19013 11247 1 20 . 1 1 41 41 GLU CA C 41 59.238 59.238 59.182 0.056 19013 11248 1 20 . 1 1 41 41 GLU CB C 41 29.391 29.391 28.794 0.598 19013 11249 1 20 . 1 1 42 42 SER N N 42 114.356 114.356 116.766 -2.410 19013 11250 1 20 . 1 1 42 42 SER HA H 42 4.209 4.209 4.801 -0.592 19013 11251 1 20 . 1 1 42 42 SER C C 42 175.221 175.221 174.482 0.739 19013 11252 1 20 . 1 1 42 42 SER CA C 42 60.331 60.331 59.212 1.119 19013 11253 1 20 . 1 1 42 42 SER CB C 42 62.849 62.849 62.748 0.101 19013 11254 1 20 . 1 1 43 43 GLU N N 43 119.711 119.711 124.335 -4.624 19013 11255 1 20 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.639 -0.353 19013 11256 1 20 . 1 1 43 43 GLU C C 43 176.893 176.893 176.301 0.592 19013 11257 1 20 . 1 1 43 43 GLU CA C 43 57.593 57.593 56.978 0.615 19013 11258 1 20 . 1 1 43 43 GLU CB C 43 30.441 30.441 31.341 -0.900 19013 11259 1 20 . 1 1 44 44 LEU N N 44 117.788 117.788 118.512 -0.724 19013 11260 1 20 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.547 -0.193 19013 11261 1 20 . 1 1 44 44 LEU C C 44 177.944 177.944 176.881 1.063 19013 11262 1 20 . 1 1 44 44 LEU CA C 44 54.941 54.941 53.538 1.403 19013 11263 1 20 . 1 1 44 44 LEU CB C 44 42.375 42.375 43.316 -0.941 19013 11264 1 20 . 1 1 45 45 GLY N N 45 108.349 108.349 106.973 1.376 19013 11265 1 20 . 1 1 45 45 GLY C C 45 173.791 173.791 175.280 -1.489 19013 11266 1 20 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.736 -0.099 19013 11267 1 20 . 1 1 46 46 ASP N N 46 119.869 119.869 120.065 -0.196 19013 11268 1 20 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.582 0.107 19013 11269 1 20 . 1 1 46 46 ASP C C 46 176.628 176.628 177.560 -0.932 19013 11270 1 20 . 1 1 46 46 ASP CA C 46 54.021 54.021 56.411 -2.390 19013 11271 1 20 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.037 0.059 19013 11272 1 20 . 1 1 47 47 THR N N 47 113.962 113.962 114.713 -0.751 19013 11273 1 20 . 1 1 47 47 THR HA H 47 4.258 4.258 4.345 -0.087 19013 11274 1 20 . 1 1 47 47 THR C C 47 175.277 175.277 174.627 0.650 19013 11275 1 20 . 1 1 47 47 THR CA C 47 62.715 62.715 62.630 0.085 19013 11276 1 20 . 1 1 47 47 THR CB C 47 69.504 69.504 67.972 1.532 19013 11277 1 20 . 1 1 48 48 GLU N N 48 121.748 121.748 121.781 -0.033 19013 11278 1 20 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.279 -0.044 19013 11279 1 20 . 1 1 48 48 GLU C C 48 177.221 177.221 177.130 0.091 19013 11280 1 20 . 1 1 48 48 GLU CA C 48 57.505 57.505 57.770 -0.265 19013 11281 1 20 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.637 0.081 19013 11282 1 20 . 1 1 49 49 THR N N 49 113.781 113.781 111.719 2.062 19013 11283 1 20 . 1 1 49 49 THR HA H 49 4.160 4.160 4.262 -0.102 19013 11284 1 20 . 1 1 49 49 THR C C 49 174.979 174.979 174.953 0.026 19013 11285 1 20 . 1 1 49 49 THR CA C 49 62.989 62.989 64.319 -1.330 19013 11286 1 20 . 1 1 49 49 THR CB C 49 69.198 69.198 68.964 0.234 19013 11287 1 20 . 1 1 50 50 MET N N 50 121.133 121.133 122.209 -1.076 19013 11288 1 20 . 1 1 50 50 MET HA H 50 4.295 4.295 4.408 -0.113 19013 11289 1 20 . 1 1 50 50 MET C C 50 175.846 175.846 173.358 2.488 19013 11290 1 20 . 1 1 50 50 MET CA C 50 55.981 55.981 54.755 1.226 19013 11291 1 20 . 1 1 50 50 MET CB C 50 32.549 32.549 32.886 -0.337 19013 11292 1 20 . 1 1 51 51 ARG N N 51 120.641 120.641 125.685 -5.044 19013 11293 1 20 . 1 1 51 51 ARG HA H 51 4.338 4.338 5.157 -0.819 19013 11294 1 20 . 1 1 51 51 ARG C C 51 176.213 176.213 175.216 0.997 19013 11295 1 20 . 1 1 51 51 ARG CA C 51 55.879 55.879 54.401 1.478 19013 11296 1 20 . 1 1 51 51 ARG CB C 51 30.606 30.606 33.586 -2.980 19013 11297 1 20 . 1 1 52 52 THR N N 52 116.663 116.663 117.759 -1.096 19013 11298 1 20 . 1 1 52 52 THR HA H 52 4.564 4.564 4.039 0.525 19013 11299 1 20 . 1 1 52 52 THR C C 52 172.814 172.814 173.368 -0.554 19013 11300 1 20 . 1 1 52 52 THR CA C 52 59.828 59.828 62.582 -2.754 19013 11301 1 20 . 1 1 52 52 THR CB C 52 69.498 69.498 68.121 1.377 19013 11302 1 20 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.113 0.227 19013 11303 1 20 . 1 1 53 53 PRO C C 53 177.518 177.518 177.769 -0.251 19013 11304 1 20 . 1 1 53 53 PRO CA C 53 63.990 63.990 64.462 -0.472 19013 11305 1 20 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.694 0.223 19013 11306 1 20 . 1 1 54 54 GLY N N 54 108.804 108.804 103.849 4.955 19013 11307 1 20 . 1 1 54 54 GLY C C 54 174.121 174.121 174.146 -0.025 19013 11308 1 20 . 1 1 54 54 GLY CA C 54 45.369 45.369 44.942 0.427 19013 11309 1 20 . 1 1 55 55 TYR N N 55 119.872 119.872 118.820 1.052 19013 11310 1 20 . 1 1 55 55 TYR HA H 55 4.360 4.360 3.872 0.488 19013 11311 1 20 . 1 1 55 55 TYR C C 55 175.550 175.550 175.276 0.274 19013 11312 1 20 . 1 1 55 55 TYR CA C 55 58.508 58.508 58.812 -0.304 19013 11313 1 20 . 1 1 55 55 TYR CB C 55 38.907 38.907 35.827 3.080 19013 11314 1 20 . 1 1 56 56 PHE N N 56 121.248 121.248 117.009 4.239 19013 11315 1 20 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.182 0.247 19013 11316 1 20 . 1 1 56 56 PHE C C 56 175.354 175.354 176.560 -1.206 19013 11317 1 20 . 1 1 56 56 PHE CA C 56 58.138 58.138 59.339 -1.201 19013 11318 1 20 . 1 1 56 56 PHE CB C 56 39.513 39.513 37.725 1.788 19013 11319 1 20 . 1 1 57 57 PHE N N 57 121.226 121.226 122.894 -1.668 19013 11320 1 20 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.316 0.157 19013 11321 1 20 . 1 1 57 57 PHE C C 57 175.182 175.182 176.060 -0.878 19013 11322 1 20 . 1 1 57 57 PHE CA C 57 57.826 57.826 59.663 -1.837 19013 11323 1 20 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.181 0.348 19013 11324 1 20 . 1 1 58 58 GLN N N 58 121.160 121.160 115.997 5.163 19013 11325 1 20 . 1 1 58 58 GLN HA H 58 4.232 4.232 3.490 0.742 19013 11326 1 20 . 1 1 58 58 GLN C C 58 175.287 175.287 175.994 -0.707 19013 11327 1 20 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.907 -0.501 19013 11328 1 20 . 1 1 58 58 GLN CB C 58 29.477 29.477 26.425 3.052 19013 11329 1 20 . 1 1 59 59 GLN N N 59 120.923 120.923 120.833 0.090 19013 11330 1 20 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.334 -0.048 19013 11331 1 20 . 1 1 59 59 GLN C C 59 175.318 175.318 176.156 -0.838 19013 11332 1 20 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.312 -1.015 19013 11333 1 20 . 1 1 59 59 GLN CB C 59 29.419 29.419 29.406 0.013 19013 11334 1 20 . 1 1 60 60 ALA N N 60 126.737 126.737 121.779 4.958 19013 11335 1 20 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.099 0.437 19013 11336 1 20 . 1 1 60 60 ALA C C 60 175.924 175.924 175.424 0.500 19013 11337 1 20 . 1 1 60 60 ALA CA C 60 50.682 50.682 51.408 -0.726 19013 11338 1 20 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.284 -0.111 19013 11339 1 20 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.250 0.154 19013 11340 1 20 . 1 1 61 61 PRO C C 61 176.902 176.902 177.421 -0.519 19013 11341 1 20 . 1 1 61 61 PRO CA C 61 63.549 63.549 63.297 0.252 19013 11342 1 20 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.989 -0.008 19013 11343 1 20 . 1 1 62 62 ASN N N 62 116.490 116.490 118.741 -2.251 19013 11344 1 20 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.311 0.289 19013 11345 1 20 . 1 1 62 62 ASN C C 62 174.942 174.942 174.614 0.328 19013 11346 1 20 . 1 1 62 62 ASN CA C 62 53.299 53.299 54.385 -1.086 19013 11347 1 20 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.457 -0.436 19013 11348 1 20 . 1 1 63 63 ARG N N 63 120.117 120.117 119.780 0.337 19013 11349 1 20 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.543 -0.182 19013 11350 1 20 . 1 1 63 63 ARG C C 63 175.853 175.853 175.328 0.525 19013 11351 1 20 . 1 1 63 63 ARG CA C 63 55.555 55.555 55.389 0.166 19013 11352 1 20 . 1 1 63 63 ARG CB C 63 31.085 31.085 31.461 -0.376 19013 11353 1 20 . 1 1 64 64 ARG N N 64 123.061 123.061 122.411 0.650 19013 11354 1 20 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.330 -0.030 19013 11355 1 20 . 1 1 64 64 ARG C C 64 175.995 175.995 177.394 -1.399 19013 11356 1 20 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.404 -0.401 19013 11357 1 20 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.153 0.327 19013 11358 1 20 . 1 1 65 65 ARG N N 65 123.698 123.698 123.712 -0.014 19013 11359 1 20 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.305 0.271 19013 11360 1 20 . 1 1 65 65 ARG C C 65 176.085 176.085 176.474 -0.389 19013 11361 1 20 . 1 1 65 65 ARG CA C 65 55.448 55.448 59.033 -3.586 19013 11362 1 20 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.749 0.406 19013 11363 1 20 . 1 1 66 66 ILE N N 66 120.928 120.928 117.847 3.081 19013 11364 1 20 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.322 0.113 19013 11365 1 20 . 1 1 66 66 ILE C C 66 175.488 175.488 175.232 0.256 19013 11366 1 20 . 1 1 66 66 ILE CA C 66 60.214 60.214 59.806 0.408 19013 11367 1 20 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.217 0.937 19013 11368 1 20 . 1 1 67 67 SER N N 67 119.534 119.534 125.256 -5.722 19013 11369 1 20 . 1 1 67 67 SER HA H 67 4.431 4.431 4.499 -0.068 19013 11370 1 20 . 1 1 67 67 SER C C 67 174.034 174.034 173.775 0.259 19013 11371 1 20 . 1 1 67 67 SER CA C 67 58.599 58.599 58.071 0.528 19013 11372 1 20 . 1 1 67 67 SER CB C 67 63.499 63.499 61.848 1.651 19013 11373 1 20 . 1 1 68 68 ARG N N 68 124.936 124.936 122.232 2.704 19013 11374 1 20 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.550 0.025 19013 11375 1 20 . 1 1 68 68 ARG C C 68 175.967 175.967 174.655 1.312 19013 11376 1 20 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.887 0.567 19013 11377 1 20 . 1 1 68 68 ARG CB C 68 32.473 32.473 33.551 -1.078 19013 11378 1 20 . 1 1 69 69 GLU N N 69 136.462 136.462 123.808 12.654 19013 11379 1 20 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.394 0.111 19013 11380 1 20 . 1 1 69 69 GLU C C 69 174.852 174.852 175.068 -0.216 19013 11381 1 20 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.688 -0.493 19013 11382 1 20 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.313 -0.512 19013 11383 1 20 . 1 1 70 70 HIS N N 70 120.728 120.728 121.126 -0.398 19013 11384 1 20 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.677 -0.941 19013 11385 1 20 . 1 1 70 70 HIS C C 70 171.455 171.455 173.001 -1.546 19013 11386 1 20 . 1 1 70 70 HIS CA C 70 54.574 54.574 53.938 0.636 19013 11387 1 20 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.330 -1.214 19013 11388 1 20 . 1 1 71 71 GLY N N 71 108.698 108.698 109.387 -0.689 19013 11389 1 20 . 1 1 71 71 GLY C C 71 174.611 174.611 174.065 0.546 19013 11390 1 20 . 1 1 71 71 GLY CA C 71 43.064 43.064 44.033 -0.969 19013 11391 1 20 . 1 1 72 72 ARG N N 72 123.350 123.350 118.770 4.580 19013 11392 1 20 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.399 -0.204 19013 11393 1 20 . 1 1 72 72 ARG C C 72 178.495 178.495 176.330 2.165 19013 11394 1 20 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.704 2.492 19013 11395 1 20 . 1 1 72 72 ARG CB C 72 30.822 30.822 31.535 -0.713 19013 11396 1 20 . 1 1 73 73 THR N N 73 103.467 103.467 108.909 -5.442 19013 11397 1 20 . 1 1 73 73 THR HA H 73 4.196 4.196 4.468 -0.272 19013 11398 1 20 . 1 1 73 73 THR C C 73 171.300 171.300 172.929 -1.629 19013 11399 1 20 . 1 1 73 73 THR CA C 73 59.336 59.336 61.740 -2.404 19013 11400 1 20 . 1 1 73 73 THR CB C 73 69.837 69.837 69.945 -0.108 19013 11401 1 20 . 1 1 74 74 TRP N N 74 112.582 112.582 119.414 -6.832 19013 11402 1 20 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.824 -0.117 19013 11403 1 20 . 1 1 74 74 TRP C C 74 176.667 176.667 174.056 2.611 19013 11404 1 20 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.540 0.342 19013 11405 1 20 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.071 0.789 19013 11406 1 20 . 1 1 75 75 THR N N 75 114.629 114.629 115.954 -1.325 19013 11407 1 20 . 1 1 75 75 THR HA H 75 4.594 4.594 4.702 -0.108 19013 11408 1 20 . 1 1 75 75 THR C C 75 170.237 170.237 172.905 -2.668 19013 11409 1 20 . 1 1 75 75 THR CA C 75 61.354 61.354 61.033 0.321 19013 11410 1 20 . 1 1 75 75 THR CB C 75 69.887 69.887 72.027 -2.140 19013 11411 1 20 . 1 1 76 76 LYS N N 76 130.596 130.596 129.455 1.141 19013 11412 1 20 . 1 1 76 76 LYS HA H 76 5.722 5.722 4.950 0.772 19013 11413 1 20 . 1 1 76 76 LYS C C 76 177.934 177.934 175.480 2.454 19013 11414 1 20 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.964 0.076 19013 11415 1 20 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.179 1.991 19013 11416 1 20 . 1 1 77 77 LEU N N 77 128.006 128.006 129.617 -1.611 19013 11417 1 20 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.590 -0.303 19013 11418 1 20 . 1 1 77 77 LEU C C 77 174.557 174.557 175.108 -0.551 19013 11419 1 20 . 1 1 77 77 LEU CA C 77 55.298 55.298 54.237 1.061 19013 11420 1 20 . 1 1 77 77 LEU CB C 77 46.100 46.100 44.148 1.952 19013 11421 1 20 . 1 1 78 78 THR N N 78 123.666 123.666 124.603 -0.937 19013 11422 1 20 . 1 1 78 78 THR HA H 78 4.435 4.435 4.615 -0.180 19013 11423 1 20 . 1 1 78 78 THR C C 78 174.067 174.067 174.288 -0.221 19013 11424 1 20 . 1 1 78 78 THR CA C 78 62.500 62.500 62.111 0.389 19013 11425 1 20 . 1 1 78 78 THR CB C 78 67.902 67.902 68.336 -0.434 19013 11426 1 20 . 1 1 79 79 TYR N N 79 125.290 125.290 124.922 0.368 19013 11427 1 20 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.588 0.364 19013 11428 1 20 . 1 1 79 79 TYR C C 79 176.523 176.523 177.982 -1.459 19013 11429 1 20 . 1 1 79 79 TYR CA C 79 59.379 59.379 60.806 -1.427 19013 11430 1 20 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.991 0.828 19013 11431 1 20 . 1 1 80 80 ALA N N 80 121.971 121.971 120.074 1.897 19013 11432 1 20 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.967 0.093 19013 11433 1 20 . 1 1 80 80 ALA C C 80 177.255 177.255 176.392 0.863 19013 11434 1 20 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.730 0.200 19013 11435 1 20 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.267 1.919 19013 11436 1 20 . 1 1 81 81 ASN N N 81 112.786 112.786 118.707 -5.921 19013 11437 1 20 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.692 0.405 19013 11438 1 20 . 1 1 81 81 ASN C C 81 175.438 175.438 175.789 -0.351 19013 11439 1 20 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.864 -1.376 19013 11440 1 20 . 1 1 81 81 ASN CB C 81 41.430 41.430 39.365 2.065 19013 11441 1 20 . 1 1 82 82 HIS N N 82 123.560 123.560 121.763 1.797 19013 11442 1 20 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.402 -0.115 19013 11443 1 20 . 1 1 82 82 HIS C C 82 176.494 176.494 176.757 -0.263 19013 11444 1 20 . 1 1 82 82 HIS CA C 82 59.091 59.091 58.572 0.519 19013 11445 1 20 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.868 -1.305 19013 11446 1 20 . 1 1 83 83 SER N N 83 114.623 114.623 114.563 0.060 19013 11447 1 20 . 1 1 83 83 SER HA H 83 4.095 4.095 4.227 -0.132 19013 11448 1 20 . 1 1 83 83 SER C C 83 177.619 177.619 176.745 0.874 19013 11449 1 20 . 1 1 83 83 SER CA C 83 61.637 61.637 61.001 0.636 19013 11450 1 20 . 1 1 83 83 SER CB C 83 61.644 61.644 62.837 -1.193 19013 11451 1 20 . 1 1 84 84 SER N N 84 120.863 120.863 114.973 5.890 19013 11452 1 20 . 1 1 84 84 SER HA H 84 3.935 3.935 4.077 -0.142 19013 11453 1 20 . 1 1 84 84 SER C C 84 173.466 173.466 175.316 -1.850 19013 11454 1 20 . 1 1 84 84 SER CA C 84 62.250 62.250 58.689 3.561 19013 11455 1 20 . 1 1 84 84 SER CB C 84 62.700 62.700 62.022 0.678 19013 11456 1 20 . 1 1 85 85 TYR N N 85 122.263 122.263 124.039 -1.776 19013 11457 1 20 . 1 1 85 85 TYR HA H 85 3.769 3.769 3.882 -0.113 19013 11458 1 20 . 1 1 85 85 TYR C C 85 175.010 175.010 177.270 -2.260 19013 11459 1 20 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.251 -0.578 19013 11460 1 20 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.185 -0.560 19013 11461 1 20 . 1 1 86 86 LEU N N 86 117.366 117.366 117.543 -0.177 19013 11462 1 20 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.912 -0.375 19013 11463 1 20 . 1 1 86 86 LEU C C 86 179.942 179.942 178.999 0.943 19013 11464 1 20 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.208 0.061 19013 11465 1 20 . 1 1 86 86 LEU CB C 86 41.694 41.694 40.646 1.048 19013 11466 1 20 . 1 1 87 87 ARG N N 87 118.578 118.578 120.118 -1.540 19013 11467 1 20 . 1 1 87 87 ARG HA H 87 3.848 3.848 3.965 -0.117 19013 11468 1 20 . 1 1 87 87 ARG C C 87 178.784 178.784 178.319 0.465 19013 11469 1 20 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.835 -1.394 19013 11470 1 20 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.773 -0.832 19013 11471 1 20 . 1 1 88 88 ALA N N 88 123.868 123.868 121.885 1.983 19013 11472 1 20 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.097 -0.554 19013 11473 1 20 . 1 1 88 88 ALA C C 88 179.517 179.517 178.088 1.429 19013 11474 1 20 . 1 1 88 88 ALA CA C 88 55.414 55.414 54.154 1.260 19013 11475 1 20 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.124 0.018 19013 11476 1 20 . 1 1 89 89 LEU N N 89 114.573 114.573 116.420 -1.847 19013 11477 1 20 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.373 -0.449 19013 11478 1 20 . 1 1 89 89 LEU C C 89 180.088 180.088 177.728 2.360 19013 11479 1 20 . 1 1 89 89 LEU CA C 89 57.417 57.417 54.485 2.932 19013 11480 1 20 . 1 1 89 89 LEU CB C 89 41.886 41.886 40.956 0.930 19013 11481 1 20 . 1 1 90 90 ARG N N 90 116.735 116.735 120.119 -3.384 19013 11482 1 20 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.097 0.035 19013 11483 1 20 . 1 1 90 90 ARG C C 90 177.429 177.429 175.822 1.607 19013 11484 1 20 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.914 0.884 19013 11485 1 20 . 1 1 90 90 ARG CB C 90 29.834 29.834 30.749 -0.915 19013 11486 1 20 . 1 1 91 91 GLU N N 91 115.787 115.787 121.134 -5.347 19013 11487 1 20 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.366 -0.219 19013 11488 1 20 . 1 1 91 91 GLU C C 91 176.303 176.303 176.116 0.187 19013 11489 1 20 . 1 1 91 91 GLU CA C 91 55.336 55.336 55.798 -0.462 19013 11490 1 20 . 1 1 91 91 GLU CB C 91 29.705 29.705 30.800 -1.095 19013 11491 1 20 . 1 1 92 92 HIS N N 92 118.997 118.997 118.375 0.622 19013 11492 1 20 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.505 -0.234 19013 11493 1 20 . 1 1 92 92 HIS C C 92 176.823 176.823 176.168 0.655 19013 11494 1 20 . 1 1 92 92 HIS CA C 92 59.453 59.453 55.424 4.029 19013 11495 1 20 . 1 1 92 92 HIS CB C 92 30.812 30.812 28.057 2.755 19013 11496 1 20 . 1 1 93 93 GLY N N 93 116.944 116.944 116.278 0.666 19013 11497 1 20 . 1 1 93 93 GLY C C 93 174.512 174.512 174.043 0.469 19013 11498 1 20 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.736 -0.760 19013 11499 1 20 . 1 1 94 94 THR N N 94 117.838 117.838 118.083 -0.245 19013 11500 1 20 . 1 1 94 94 THR HA H 94 4.059 4.059 4.511 -0.452 19013 11501 1 20 . 1 1 94 94 THR C C 94 172.656 172.656 172.878 -0.222 19013 11502 1 20 . 1 1 94 94 THR CA C 94 63.330 63.330 61.618 1.712 19013 11503 1 20 . 1 1 94 94 THR CB C 94 69.936 69.936 68.556 1.380 19013 11504 1 20 . 1 1 95 95 ILE N N 95 124.155 124.155 126.980 -2.825 19013 11505 1 20 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.382 0.006 19013 11506 1 20 . 1 1 95 95 ILE C C 95 175.534 175.534 174.691 0.843 19013 11507 1 20 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.829 -1.052 19013 11508 1 20 . 1 1 95 95 ILE CB C 95 35.990 35.990 38.799 -2.809 19013 11509 1 20 . 1 1 96 96 TYR N N 96 130.370 130.370 128.580 1.790 19013 11510 1 20 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.778 -0.215 19013 11511 1 20 . 1 1 96 96 TYR C C 96 174.539 174.539 175.682 -1.143 19013 11512 1 20 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.162 -0.706 19013 11513 1 20 . 1 1 96 96 TYR CB C 96 41.727 41.727 42.000 -0.273 19013 11514 1 20 . 1 1 97 97 CYS N N 97 123.936 123.936 125.796 -1.860 19013 11515 1 20 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.982 -0.324 19013 11516 1 20 . 1 1 97 97 CYS C C 97 175.798 175.798 175.399 0.399 19013 11517 1 20 . 1 1 97 97 CYS CA C 97 60.821 60.821 59.958 0.863 19013 11518 1 20 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.335 -0.856 19013 11519 1 20 . 1 1 98 98 GLY N N 98 103.268 103.268 105.938 -2.670 19013 11520 1 20 . 1 1 98 98 GLY C C 98 173.270 173.270 173.074 0.196 19013 11521 1 20 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.749 0.563 19013 11522 1 20 . 1 1 99 99 ALA N N 99 123.511 123.511 123.224 0.287 19013 11523 1 20 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.723 -0.028 19013 11524 1 20 . 1 1 99 99 ALA C C 99 175.215 175.215 175.516 -0.301 19013 11525 1 20 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.934 -0.156 19013 11526 1 20 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.641 0.114 19013 11527 1 20 . 1 1 100 100 ALA N N 100 124.957 124.957 123.722 1.235 19013 11528 1 20 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.488 -0.855 19013 11529 1 20 . 1 1 100 100 ALA C C 100 177.477 177.477 177.932 -0.455 19013 11530 1 20 . 1 1 100 100 ALA CA C 100 51.523 51.523 50.945 0.578 19013 11531 1 20 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.440 -1.271 19013 11532 1 20 . 1 1 101 101 ILE N N 101 121.598 121.598 118.586 3.012 19013 11533 1 20 . 1 1 101 101 ILE HA H 101 4.455 4.455 5.086 -0.631 19013 11534 1 20 . 1 1 101 101 ILE C C 101 175.956 175.956 175.527 0.429 19013 11535 1 20 . 1 1 101 101 ILE CA C 101 59.964 59.964 59.478 0.486 19013 11536 1 20 . 1 1 101 101 ILE CB C 101 39.835 39.835 39.099 0.736 19013 11537 1 20 . 1 1 102 102 GLY N N 102 113.717 113.717 113.481 0.236 19013 11538 1 20 . 1 1 102 102 GLY C C 102 172.857 172.857 172.445 0.412 19013 11539 1 20 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.755 -1.311 19013 11540 1 20 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.460 0.074 19013 11541 1 20 . 1 1 103 103 CYS C C 103 172.624 172.624 173.974 -1.350 19013 11542 1 20 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.853 1.850 19013 11543 1 20 . 1 1 103 103 CYS CB C 103 27.343 27.343 28.613 -1.270 19013 11544 1 20 . 1 1 104 104 VAL N N 104 118.519 118.519 120.815 -2.296 19013 11545 1 20 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.799 0.106 19013 11546 1 20 . 1 1 104 104 VAL C C 104 172.705 172.705 173.313 -0.608 19013 11547 1 20 . 1 1 104 104 VAL CA C 104 57.413 57.413 57.785 -0.372 19013 11548 1 20 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.079 0.024 19013 11549 1 20 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.406 0.209 19013 11550 1 20 . 1 1 105 105 PRO C C 105 176.557 176.557 175.983 0.574 19013 11551 1 20 . 1 1 105 105 PRO CA C 105 63.554 63.554 63.269 0.285 19013 11552 1 20 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.205 0.461 19013 11553 1 20 . 1 1 106 106 TYR N N 106 121.923 121.923 124.897 -2.974 19013 11554 1 20 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.244 -0.414 19013 11555 1 20 . 1 1 106 106 TYR C C 106 174.643 174.643 175.057 -0.414 19013 11556 1 20 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.171 0.847 19013 11557 1 20 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.860 0.527 19013 11558 1 20 . 1 1 107 107 LYS N N 107 124.087 124.087 127.029 -2.942 19013 11559 1 20 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.381 -0.200 19013 11560 1 20 . 1 1 107 107 LYS C C 107 176.443 176.443 175.808 0.635 19013 11561 1 20 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.364 0.413 19013 11562 1 20 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.977 0.948 19013 11563 1 20 . 1 1 108 108 HIS N N 108 124.171 124.171 123.685 0.486 19013 11564 1 20 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.021 -0.061 19013 11565 1 20 . 1 1 108 108 HIS C C 108 176.998 176.998 177.260 -0.262 19013 11566 1 20 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.613 -1.014 19013 11567 1 20 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.812 -1.264 19013 11568 1 20 . 1 1 109 109 GLU N N 109 118.941 118.941 120.283 -1.342 19013 11569 1 20 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.994 -0.081 19013 11570 1 20 . 1 1 109 109 GLU C C 109 177.738 177.738 177.977 -0.239 19013 11571 1 20 . 1 1 109 109 GLU CA C 109 59.337 59.337 59.399 -0.062 19013 11572 1 20 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.978 -0.259 19013 11573 1 20 . 1 1 110 110 LEU N N 110 118.555 118.555 120.140 -1.585 19013 11574 1 20 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.934 0.066 19013 11575 1 20 . 1 1 110 110 LEU C C 110 177.872 177.872 178.296 -0.424 19013 11576 1 20 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.884 -1.511 19013 11577 1 20 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.627 0.328 19013 11578 1 20 . 1 1 111 111 ILE N N 111 117.129 117.129 118.674 -1.545 19013 11579 1 20 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.208 -0.238 19013 11580 1 20 . 1 1 111 111 ILE C C 111 178.773 178.773 178.289 0.484 19013 11581 1 20 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.704 -0.966 19013 11582 1 20 . 1 1 111 111 ILE CB C 111 35.418 35.418 36.137 -0.719 19013 11583 1 20 . 1 1 112 112 SER N N 112 116.165 116.165 115.585 0.580 19013 11584 1 20 . 1 1 112 112 SER HA H 112 4.000 4.000 4.064 -0.064 19013 11585 1 20 . 1 1 112 112 SER C C 112 176.313 176.313 176.820 -0.507 19013 11586 1 20 . 1 1 112 112 SER CA C 112 61.433 61.433 62.514 -1.081 19013 11587 1 20 . 1 1 112 112 SER CB C 112 62.188 62.188 62.749 -0.561 19013 11588 1 20 . 1 1 113 113 GLU N N 113 120.732 120.732 122.617 -1.885 19013 11589 1 20 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.983 0.003 19013 11590 1 20 . 1 1 113 113 GLU C C 113 178.799 178.799 178.779 0.020 19013 11591 1 20 . 1 1 113 113 GLU CA C 113 58.521 58.521 59.365 -0.844 19013 11592 1 20 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.494 -0.112 19013 11593 1 20 . 1 1 114 114 LEU N N 114 119.452 119.452 119.232 0.220 19013 11594 1 20 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.894 -0.171 19013 11595 1 20 . 1 1 114 114 LEU C C 114 179.184 179.184 179.471 -0.287 19013 11596 1 20 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.797 -1.113 19013 11597 1 20 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.254 -1.267 19013 11598 1 20 . 1 1 115 115 SER N N 115 112.708 112.708 114.885 -2.177 19013 11599 1 20 . 1 1 115 115 SER HA H 115 4.615 4.615 4.306 0.309 19013 11600 1 20 . 1 1 115 115 SER C C 115 174.994 174.994 176.345 -1.351 19013 11601 1 20 . 1 1 115 115 SER CA C 115 59.706 59.706 61.171 -1.465 19013 11602 1 20 . 1 1 115 115 SER CB C 115 63.512 63.512 63.347 0.165 19013 11603 1 20 . 1 1 116 116 ARG N N 116 121.600 121.600 118.611 2.989 19013 11604 1 20 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.416 -0.175 19013 11605 1 20 . 1 1 116 116 ARG C C 116 176.893 176.893 175.973 0.920 19013 11606 1 20 . 1 1 116 116 ARG CA C 116 57.022 57.022 56.895 0.127 19013 11607 1 20 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.543 -0.380 19013 11608 1 20 . 1 1 117 117 GLU N N 117 120.450 120.450 115.552 4.898 19013 11609 1 20 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.021 0.219 19013 11610 1 20 . 1 1 117 117 GLU C C 117 177.260 177.260 176.603 0.657 19013 11611 1 20 . 1 1 117 117 GLU CA C 117 57.042 57.042 57.130 -0.088 19013 11612 1 20 . 1 1 117 117 GLU CB C 117 29.763 29.763 27.777 1.986 19013 11613 1 20 . 1 1 118 118 GLY N N 118 108.905 108.905 104.946 3.959 19013 11614 1 20 . 1 1 118 118 GLY C C 118 174.225 174.225 174.239 -0.014 19013 11615 1 20 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.834 -0.451 19013 11616 1 20 . 1 1 119 119 HIS N N 119 117.625 117.625 122.508 -4.883 19013 11617 1 20 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.640 0.019 19013 11618 1 20 . 1 1 119 119 HIS C C 119 174.439 174.439 174.287 0.152 19013 11619 1 20 . 1 1 119 119 HIS CA C 119 55.413 55.413 55.791 -0.378 19013 11620 1 20 . 1 1 119 119 HIS CB C 119 28.904 28.904 30.175 -1.271 19013 11621 1 20 . 1 1 120 120 HIS N N 120 119.015 119.015 127.370 -8.355 19013 11622 1 20 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.632 0.040 19013 11623 1 20 . 1 1 120 120 HIS C C 120 174.259 174.259 173.591 0.668 19013 11624 1 20 . 1 1 120 120 HIS CA C 120 55.321 55.321 55.645 -0.324 19013 11625 1 20 . 1 1 120 120 HIS CB C 120 29.098 29.098 29.903 -0.805 19013 11626 1 20 . 1 1 121 121 HIS N N 121 119.872 119.872 122.017 -2.145 19013 11627 1 20 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.515 0.165 19013 11628 1 20 . 1 1 121 121 HIS C C 121 174.245 174.245 172.834 1.411 19013 11629 1 20 . 1 1 121 121 HIS CA C 121 55.389 55.389 56.263 -0.874 19013 11630 1 20 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.384 -2.125 19013 11631 1 20 . 1 1 122 122 HIS N N 122 120.597 120.597 123.404 -2.807 19013 11632 1 20 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.727 -0.040 19013 11633 1 20 . 1 1 122 122 HIS C C 122 174.101 174.101 173.996 0.105 19013 11634 1 20 . 1 1 122 122 HIS CA C 122 55.386 55.386 55.410 -0.023 19013 11635 1 20 . 1 1 122 122 HIS CB C 122 29.349 29.349 33.309 -3.961 19013 11636 1 20 . 1 1 123 123 HIS N N 123 120.680 120.680 119.595 1.085 19013 11637 1 20 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.588 0.068 19013 11638 1 20 . 1 1 123 123 HIS C C 123 173.591 173.591 175.679 -2.088 19013 11639 1 20 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.394 -0.831 19013 11640 1 20 . 1 1 123 123 HIS CB C 123 29.456 29.456 29.523 -0.067 19013 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 116 3.256 -0.156 3.266 19013 2 1 1 "Average Difference" HA 122 0.330 0.024 0.331 19013 3 1 1 "Average Difference" C 122 1.263 -0.183 1.255 19013 4 1 1 "Average Difference" CA 122 1.296 -0.038 1.301 19013 5 1 1 "Average Difference" CB 111 1.325 0.159 1.321 19013 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19013 7 1 2 "Average Difference" N 116 3.512 0.171 3.523 19013 8 1 2 "Average Difference" HA 122 0.323 0.025 0.323 19013 9 1 2 "Average Difference" C 122 1.277 -0.287 1.250 19013 10 1 2 "Average Difference" CA 122 1.310 -0.075 1.313 19013 11 1 2 "Average Difference" CB 111 1.312 0.109 1.313 19013 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19013 13 1 3 "Average Difference" N 116 3.413 0.275 3.417 19013 14 1 3 "Average Difference" HA 122 0.365 -0.016 0.366 19013 15 1 3 "Average Difference" C 122 1.347 -0.186 1.340 19013 16 1 3 "Average Difference" CA 122 1.335 -0.051 1.340 19013 17 1 3 "Average Difference" CB 111 1.200 0.078 1.203 19013 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19013 19 1 4 "Average Difference" N 116 3.245 -0.096 3.258 19013 20 1 4 "Average Difference" HA 122 0.325 0.012 0.326 19013 21 1 4 "Average Difference" C 122 1.275 -0.147 1.272 19013 22 1 4 "Average Difference" CA 122 1.289 0.020 1.294 19013 23 1 4 "Average Difference" CB 111 1.258 -0.026 1.264 19013 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19013 25 1 5 "Average Difference" N 116 3.418 0.132 3.431 19013 26 1 5 "Average Difference" HA 122 0.328 0.001 0.329 19013 27 1 5 "Average Difference" C 122 1.269 -0.182 1.261 19013 28 1 5 "Average Difference" CA 122 1.388 0.003 1.394 19013 29 1 5 "Average Difference" CB 111 1.215 0.148 1.211 19013 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19013 31 1 6 "Average Difference" N 116 3.174 -0.085 3.186 19013 32 1 6 "Average Difference" HA 122 0.377 -0.002 0.378 19013 33 1 6 "Average Difference" C 122 1.220 -0.258 1.197 19013 34 1 6 "Average Difference" CA 122 1.374 -0.019 1.380 19013 35 1 6 "Average Difference" CB 111 1.246 0.108 1.247 19013 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19013 37 1 7 "Average Difference" N 116 3.678 -0.218 3.688 19013 38 1 7 "Average Difference" HA 122 0.325 0.002 0.327 19013 39 1 7 "Average Difference" C 122 1.272 -0.205 1.261 19013 40 1 7 "Average Difference" CA 122 1.388 0.022 1.394 19013 41 1 7 "Average Difference" CB 111 1.390 0.079 1.394 19013 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19013 43 1 8 "Average Difference" N 116 3.642 -0.142 3.655 19013 44 1 8 "Average Difference" HA 122 0.381 0.029 0.382 19013 45 1 8 "Average Difference" C 122 1.276 -0.338 1.235 19013 46 1 8 "Average Difference" CA 122 1.257 -0.142 1.254 19013 47 1 8 "Average Difference" CB 111 1.236 0.112 1.237 19013 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19013 49 1 9 "Average Difference" N 116 3.222 0.084 3.235 19013 50 1 9 "Average Difference" HA 122 0.324 0.020 0.325 19013 51 1 9 "Average Difference" C 122 1.156 -0.144 1.152 19013 52 1 9 "Average Difference" CA 122 1.353 0.062 1.357 19013 53 1 9 "Average Difference" CB 111 1.169 0.139 1.166 19013 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19013 55 1 10 "Average Difference" N 116 3.433 -0.058 3.447 19013 56 1 10 "Average Difference" HA 122 0.370 0.036 0.370 19013 57 1 10 "Average Difference" C 122 1.250 -0.252 1.230 19013 58 1 10 "Average Difference" CA 122 1.203 -0.127 1.201 19013 59 1 10 "Average Difference" CB 111 1.305 0.156 1.302 19013 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19013 61 1 11 "Average Difference" N 116 3.830 -0.113 3.845 19013 62 1 11 "Average Difference" HA 122 0.348 0.029 0.348 19013 63 1 11 "Average Difference" C 122 1.306 -0.264 1.284 19013 64 1 11 "Average Difference" CA 122 1.270 -0.046 1.275 19013 65 1 11 "Average Difference" CB 111 1.360 0.143 1.359 19013 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19013 67 1 12 "Average Difference" N 116 3.344 -0.028 3.358 19013 68 1 12 "Average Difference" HA 122 0.357 0.023 0.357 19013 69 1 12 "Average Difference" C 122 1.324 -0.086 1.327 19013 70 1 12 "Average Difference" CA 122 1.344 0.030 1.349 19013 71 1 12 "Average Difference" CB 111 1.247 0.161 1.242 19013 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19013 73 1 13 "Average Difference" N 116 3.268 0.129 3.280 19013 74 1 13 "Average Difference" HA 122 0.366 0.049 0.364 19013 75 1 13 "Average Difference" C 122 1.263 -0.264 1.240 19013 76 1 13 "Average Difference" CA 122 1.293 -0.130 1.292 19013 77 1 13 "Average Difference" CB 111 1.382 0.211 1.372 19013 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19013 79 1 14 "Average Difference" N 116 3.364 0.201 3.372 19013 80 1 14 "Average Difference" HA 122 0.335 0.018 0.336 19013 81 1 14 "Average Difference" C 122 1.295 -0.150 1.291 19013 82 1 14 "Average Difference" CA 122 1.343 0.008 1.349 19013 83 1 14 "Average Difference" CB 111 1.309 0.055 1.314 19013 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19013 85 1 15 "Average Difference" N 116 3.101 0.095 3.113 19013 86 1 15 "Average Difference" HA 122 0.342 0.015 0.343 19013 87 1 15 "Average Difference" C 122 1.324 -0.240 1.307 19013 88 1 15 "Average Difference" CA 122 1.323 -0.058 1.327 19013 89 1 15 "Average Difference" CB 111 1.279 0.088 1.282 19013 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19013 91 1 16 "Average Difference" N 116 3.255 -0.226 3.261 19013 92 1 16 "Average Difference" HA 122 0.329 0.015 0.330 19013 93 1 16 "Average Difference" C 122 1.321 -0.249 1.303 19013 94 1 16 "Average Difference" CA 122 1.289 -0.067 1.292 19013 95 1 16 "Average Difference" CB 111 1.323 0.111 1.324 19013 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19013 97 1 17 "Average Difference" N 116 3.525 -0.060 3.540 19013 98 1 17 "Average Difference" HA 122 0.314 -0.020 0.315 19013 99 1 17 "Average Difference" C 122 1.246 -0.126 1.245 19013 100 1 17 "Average Difference" CA 122 1.285 0.055 1.289 19013 101 1 17 "Average Difference" CB 111 1.164 0.086 1.166 19013 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19013 103 1 18 "Average Difference" N 116 3.576 0.007 3.592 19013 104 1 18 "Average Difference" HA 122 0.358 0.012 0.360 19013 105 1 18 "Average Difference" C 122 1.227 -0.241 1.208 19013 106 1 18 "Average Difference" CA 122 1.313 0.075 1.316 19013 107 1 18 "Average Difference" CB 111 1.388 0.111 1.390 19013 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19013 109 1 19 "Average Difference" N 116 3.139 0.129 3.150 19013 110 1 19 "Average Difference" HA 122 0.318 0.003 0.319 19013 111 1 19 "Average Difference" C 122 1.188 -0.262 1.163 19013 112 1 19 "Average Difference" CA 122 1.389 -0.069 1.393 19013 113 1 19 "Average Difference" CB 111 1.249 0.029 1.254 19013 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19013 115 1 20 "Average Difference" N 116 3.322 0.102 3.335 19013 116 1 20 "Average Difference" HA 122 0.341 0.043 0.340 19013 117 1 20 "Average Difference" C 122 1.253 -0.238 1.235 19013 118 1 20 "Average Difference" CA 122 1.302 -0.101 1.303 19013 119 1 20 "Average Difference" CB 111 1.333 0.073 1.337 19013 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19013 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 19013 _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 SER HA H 2 4.167 4.167 4.520 -0.353 19013 2 1 . 1 1 2 2 SER C C 2 170.960 170.960 174.649 -3.689 19013 3 1 . 1 1 2 2 SER CA C 2 57.139 57.139 58.528 -1.389 19013 4 1 . 1 1 2 2 SER CB C 2 63.027 63.027 63.487 -0.460 19013 5 1 . 1 1 3 3 LEU N N 3 123.102 123.102 123.212 -0.110 19013 6 1 . 1 1 3 3 LEU HA H 3 4.415 4.415 4.333 0.082 19013 7 1 . 1 1 3 3 LEU C C 3 177.886 177.886 177.302 0.584 19013 8 1 . 1 1 3 3 LEU CA C 3 55.625 55.625 55.383 0.242 19013 9 1 . 1 1 3 3 LEU CB C 3 42.334 42.334 42.226 0.108 19013 10 1 . 1 1 4 4 GLY N N 4 110.546 110.546 108.422 2.124 19013 11 1 . 1 1 4 4 GLY C C 4 174.473 174.473 173.901 0.572 19013 12 1 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.749 0.521 19013 13 1 . 1 1 5 5 SER N N 5 115.839 115.839 116.378 -0.539 19013 14 1 . 1 1 5 5 SER HA H 5 4.472 4.472 4.435 0.036 19013 15 1 . 1 1 5 5 SER C C 5 175.085 175.085 174.650 0.435 19013 16 1 . 1 1 5 5 SER CA C 5 58.419 58.419 58.193 0.226 19013 17 1 . 1 1 5 5 SER CB C 5 63.648 63.648 64.285 -0.637 19013 18 1 . 1 1 6 6 GLU N N 6 122.855 122.855 122.496 0.359 19013 19 1 . 1 1 6 6 GLU HA H 6 4.340 4.340 4.364 -0.024 19013 20 1 . 1 1 6 6 GLU C C 6 176.767 176.767 176.271 0.496 19013 21 1 . 1 1 6 6 GLU CA C 6 57.020 57.020 56.721 0.299 19013 22 1 . 1 1 6 6 GLU CB C 6 29.785 29.785 29.189 0.596 19013 23 1 . 1 1 7 7 SER N N 7 116.046 116.046 115.526 0.520 19013 24 1 . 1 1 7 7 SER HA H 7 4.444 4.444 4.456 -0.012 19013 25 1 . 1 1 7 7 SER C C 7 174.946 174.946 174.628 0.318 19013 26 1 . 1 1 7 7 SER CA C 7 58.587 58.587 58.596 -0.009 19013 27 1 . 1 1 7 7 SER CB C 7 63.645 63.645 63.567 0.078 19013 28 1 . 1 1 8 8 GLU N N 8 122.758 122.758 121.203 1.555 19013 29 1 . 1 1 8 8 GLU HA H 8 4.372 4.372 4.334 0.038 19013 30 1 . 1 1 8 8 GLU C C 8 176.929 176.929 176.680 0.249 19013 31 1 . 1 1 8 8 GLU CA C 8 56.902 56.902 56.874 0.028 19013 32 1 . 1 1 8 8 GLU CB C 8 29.837 29.837 29.267 0.571 19013 33 1 . 1 1 9 9 THR N N 9 113.221 113.221 113.587 -0.366 19013 34 1 . 1 1 9 9 THR HA H 9 4.295 4.295 4.127 0.168 19013 35 1 . 1 1 9 9 THR C C 9 175.371 175.371 175.491 -0.120 19013 36 1 . 1 1 9 9 THR CA C 9 62.279 62.279 63.971 -1.692 19013 37 1 . 1 1 9 9 THR CB C 9 69.828 69.828 68.625 1.203 19013 38 1 . 1 1 10 10 GLY N N 10 110.774 110.774 109.999 0.775 19013 39 1 . 1 1 10 10 GLY C C 10 173.283 173.283 173.991 -0.708 19013 40 1 . 1 1 10 10 GLY CA C 10 45.731 45.731 45.867 -0.136 19013 41 1 . 1 1 11 11 ASN N N 11 116.215 116.215 119.803 -3.588 19013 42 1 . 1 1 11 11 ASN HA H 11 4.267 4.267 4.567 -0.299 19013 43 1 . 1 1 11 11 ASN C C 11 174.352 174.352 174.067 0.285 19013 44 1 . 1 1 11 11 ASN CA C 11 52.467 52.467 52.648 -0.180 19013 45 1 . 1 1 11 11 ASN CB C 11 39.483 39.483 38.892 0.591 19013 46 1 . 1 1 12 12 ALA N N 12 121.979 121.979 121.684 0.295 19013 47 1 . 1 1 12 12 ALA HA H 12 5.985 5.985 5.208 0.777 19013 48 1 . 1 1 12 12 ALA C C 12 177.325 177.325 176.011 1.314 19013 49 1 . 1 1 12 12 ALA CA C 12 50.537 50.537 50.993 -0.456 19013 50 1 . 1 1 12 12 ALA CB C 12 21.830 21.830 21.162 0.668 19013 51 1 . 1 1 13 13 VAL N N 13 116.191 116.191 117.156 -0.965 19013 52 1 . 1 1 13 13 VAL HA H 13 5.326 5.326 5.107 0.219 19013 53 1 . 1 1 13 13 VAL C C 13 175.275 175.275 174.251 1.024 19013 54 1 . 1 1 13 13 VAL CA C 13 58.762 58.762 59.399 -0.637 19013 55 1 . 1 1 13 13 VAL CB C 13 35.161 35.161 35.319 -0.158 19013 56 1 . 1 1 14 14 VAL N N 14 119.334 119.334 121.925 -2.591 19013 57 1 . 1 1 14 14 VAL HA H 14 5.238 5.238 4.781 0.457 19013 58 1 . 1 1 14 14 VAL C C 14 174.716 174.716 175.265 -0.549 19013 59 1 . 1 1 14 14 VAL CA C 14 61.296 61.296 61.207 0.089 19013 60 1 . 1 1 14 14 VAL CB C 14 34.380 34.380 32.806 1.574 19013 61 1 . 1 1 15 15 VAL N N 15 127.812 127.812 128.067 -0.255 19013 62 1 . 1 1 15 15 VAL HA H 15 5.308 5.308 5.071 0.237 19013 63 1 . 1 1 15 15 VAL C C 15 176.256 176.256 175.343 0.913 19013 64 1 . 1 1 15 15 VAL CA C 15 60.155 60.155 60.893 -0.738 19013 65 1 . 1 1 15 15 VAL CB C 15 33.301 33.301 32.756 0.545 19013 66 1 . 1 1 16 16 PHE N N 16 122.243 122.243 120.949 1.294 19013 67 1 . 1 1 16 16 PHE HA H 16 5.919 5.919 5.418 0.501 19013 68 1 . 1 1 16 16 PHE C C 16 174.623 174.623 174.866 -0.243 19013 69 1 . 1 1 16 16 PHE CA C 16 56.135 56.135 55.226 0.909 19013 70 1 . 1 1 16 16 PHE CB C 16 42.093 42.093 42.106 -0.013 19013 71 1 . 1 1 17 17 GLY N N 17 106.894 106.894 106.923 -0.029 19013 72 1 . 1 1 17 17 GLY C C 17 174.023 174.023 173.486 0.537 19013 73 1 . 1 1 17 17 GLY CA C 17 44.961 44.961 45.342 -0.381 19013 74 1 . 1 1 18 18 TYR N N 18 115.205 115.205 116.923 -1.718 19013 75 1 . 1 1 18 18 TYR HA H 18 4.866 4.866 5.013 -0.147 19013 76 1 . 1 1 18 18 TYR C C 18 173.847 173.847 173.641 0.206 19013 77 1 . 1 1 18 18 TYR CA C 18 53.165 53.165 55.454 -2.289 19013 78 1 . 1 1 18 18 TYR CB C 18 39.831 39.831 39.779 0.051 19013 79 1 . 1 1 19 19 ARG N N 19 116.814 116.814 119.715 -2.901 19013 80 1 . 1 1 19 19 ARG HA H 19 4.455 4.455 4.608 -0.153 19013 81 1 . 1 1 19 19 ARG C C 19 177.198 177.198 176.530 0.668 19013 82 1 . 1 1 19 19 ARG CA C 19 54.928 54.928 54.965 -0.037 19013 83 1 . 1 1 19 19 ARG CB C 19 30.721 30.721 32.966 -2.245 19013 84 1 . 1 1 20 20 GLU N N 20 125.261 125.261 122.038 3.223 19013 85 1 . 1 1 20 20 GLU HA H 20 4.057 4.057 4.215 -0.158 19013 86 1 . 1 1 20 20 GLU C C 20 180.643 180.643 176.219 4.424 19013 87 1 . 1 1 20 20 GLU CA C 20 59.529 59.529 57.986 1.543 19013 88 1 . 1 1 20 20 GLU CB C 20 29.863 29.863 28.941 0.922 19013 89 1 . 1 1 21 21 ALA N N 21 119.760 119.760 123.074 -3.314 19013 90 1 . 1 1 21 21 ALA HA H 21 4.354 4.354 4.331 0.023 19013 91 1 . 1 1 21 21 ALA C C 21 179.291 179.291 178.015 1.276 19013 92 1 . 1 1 21 21 ALA CA C 21 54.680 54.680 53.237 1.443 19013 93 1 . 1 1 21 21 ALA CB C 21 19.410 19.410 19.508 -0.098 19013 94 1 . 1 1 22 22 ILE N N 22 109.751 109.751 114.536 -4.785 19013 95 1 . 1 1 22 22 ILE HA H 22 5.175 5.175 4.431 0.744 19013 96 1 . 1 1 22 22 ILE C C 22 175.636 175.636 176.333 -0.697 19013 97 1 . 1 1 22 22 ILE CA C 22 60.231 60.231 60.692 -0.461 19013 98 1 . 1 1 22 22 ILE CB C 22 38.445 38.445 37.130 1.315 19013 99 1 . 1 1 23 23 THR N N 23 118.763 118.763 119.175 -0.412 19013 100 1 . 1 1 23 23 THR HA H 23 3.375 3.375 3.858 -0.483 19013 101 1 . 1 1 23 23 THR C C 23 175.159 175.159 176.360 -1.201 19013 102 1 . 1 1 23 23 THR CA C 23 68.267 68.267 67.210 1.057 19013 103 1 . 1 1 23 23 THR CB C 23 69.564 69.564 68.404 1.160 19013 104 1 . 1 1 24 24 LYS N N 24 118.723 118.723 119.203 -0.480 19013 105 1 . 1 1 24 24 LYS HA H 24 3.663 3.663 4.043 -0.380 19013 106 1 . 1 1 24 24 LYS C C 24 178.421 178.421 179.042 -0.621 19013 107 1 . 1 1 24 24 LYS CA C 24 61.054 61.054 59.078 1.976 19013 108 1 . 1 1 24 24 LYS CB C 24 31.781 31.781 31.544 0.237 19013 109 1 . 1 1 25 25 GLN N N 25 118.276 118.276 118.736 -0.460 19013 110 1 . 1 1 25 25 GLN HA H 25 4.043 4.043 4.191 -0.148 19013 111 1 . 1 1 25 25 GLN C C 25 179.248 179.248 178.772 0.476 19013 112 1 . 1 1 25 25 GLN CA C 25 59.680 59.680 58.570 1.110 19013 113 1 . 1 1 25 25 GLN CB C 25 28.245 28.245 28.972 -0.727 19013 114 1 . 1 1 26 26 ILE N N 26 122.000 122.000 120.679 1.321 19013 115 1 . 1 1 26 26 ILE HA H 26 3.769 3.769 3.573 0.196 19013 116 1 . 1 1 26 26 ILE C C 26 177.797 177.797 177.529 0.268 19013 117 1 . 1 1 26 26 ILE CA C 26 62.178 62.178 63.614 -1.436 19013 118 1 . 1 1 26 26 ILE CB C 26 35.591 35.591 37.850 -2.259 19013 119 1 . 1 1 27 27 LEU N N 27 119.685 119.685 121.887 -2.202 19013 120 1 . 1 1 27 27 LEU HA H 27 3.918 3.918 4.015 -0.097 19013 121 1 . 1 1 27 27 LEU C C 27 178.173 178.173 177.932 0.241 19013 122 1 . 1 1 27 27 LEU CA C 27 58.307 58.307 57.966 0.341 19013 123 1 . 1 1 27 27 LEU CB C 27 41.087 41.087 41.496 -0.409 19013 124 1 . 1 1 28 28 ALA N N 28 118.927 118.927 120.020 -1.093 19013 125 1 . 1 1 28 28 ALA HA H 28 3.862 3.862 4.054 -0.192 19013 126 1 . 1 1 28 28 ALA C C 28 179.693 179.693 178.606 1.087 19013 127 1 . 1 1 28 28 ALA CA C 28 54.902 54.902 54.678 0.224 19013 128 1 . 1 1 28 28 ALA CB C 28 18.116 18.116 18.232 -0.116 19013 129 1 . 1 1 29 29 TYR N N 29 119.687 119.687 117.820 1.867 19013 130 1 . 1 1 29 29 TYR HA H 29 3.922 3.922 4.310 -0.388 19013 131 1 . 1 1 29 29 TYR C C 29 178.234 178.234 177.135 1.099 19013 132 1 . 1 1 29 29 TYR CA C 29 61.136 61.136 60.873 0.263 19013 133 1 . 1 1 29 29 TYR CB C 29 38.376 38.376 39.739 -1.363 19013 134 1 . 1 1 30 30 PHE N N 30 115.353 115.353 117.442 -2.089 19013 135 1 . 1 1 30 30 PHE HA H 30 3.929 3.929 4.532 -0.603 19013 136 1 . 1 1 30 30 PHE C C 30 180.031 180.031 176.983 3.048 19013 137 1 . 1 1 30 30 PHE CA C 30 61.815 61.815 59.800 2.015 19013 138 1 . 1 1 30 30 PHE CB C 30 37.951 37.951 38.960 -1.009 19013 139 1 . 1 1 31 31 ALA N N 31 125.929 125.929 122.524 3.405 19013 140 1 . 1 1 31 31 ALA HA H 31 4.462 4.462 4.343 0.119 19013 141 1 . 1 1 31 31 ALA C C 31 178.235 178.235 178.742 -0.507 19013 142 1 . 1 1 31 31 ALA CA C 31 53.794 53.794 54.355 -0.561 19013 143 1 . 1 1 31 31 ALA CB C 31 17.482 17.482 18.175 -0.693 19013 144 1 . 1 1 32 32 GLN N N 32 113.541 113.541 117.269 -3.728 19013 145 1 . 1 1 32 32 GLN HA H 32 3.956 3.956 3.973 -0.017 19013 146 1 . 1 1 32 32 GLN C C 32 177.465 177.465 177.124 0.341 19013 147 1 . 1 1 32 32 GLN CA C 32 56.959 56.959 58.044 -1.085 19013 148 1 . 1 1 32 32 GLN CB C 32 29.085 29.085 28.450 0.635 19013 149 1 . 1 1 33 33 PHE N N 33 114.638 114.638 114.921 -0.283 19013 150 1 . 1 1 33 33 PHE HA H 33 4.650 4.650 4.632 0.018 19013 151 1 . 1 1 33 33 PHE C C 33 175.848 175.848 175.712 0.136 19013 152 1 . 1 1 33 33 PHE CA C 33 57.066 57.066 58.920 -1.854 19013 153 1 . 1 1 33 33 PHE CB C 33 37.930 37.930 40.848 -2.918 19013 154 1 . 1 1 34 34 GLY N N 34 106.452 106.452 105.440 1.012 19013 155 1 . 1 1 34 34 GLY C C 34 170.428 170.428 172.219 -1.791 19013 156 1 . 1 1 34 34 GLY CA C 34 44.564 44.564 45.093 -0.529 19013 157 1 . 1 1 35 35 GLU N N 35 118.228 118.228 121.234 -3.006 19013 158 1 . 1 1 35 35 GLU HA H 35 4.166 4.166 4.400 -0.234 19013 159 1 . 1 1 35 35 GLU C C 35 175.939 175.939 175.268 0.671 19013 160 1 . 1 1 35 35 GLU CA C 35 57.385 57.385 55.994 1.391 19013 161 1 . 1 1 35 35 GLU CB C 35 30.115 30.115 30.562 -0.447 19013 162 1 . 1 1 36 36 ILE HA H 36 4.564 4.564 4.144 0.419 19013 163 1 . 1 1 36 36 ILE C C 36 176.530 176.530 175.343 1.187 19013 164 1 . 1 1 36 36 ILE CA C 36 59.847 59.847 61.042 -1.195 19013 165 1 . 1 1 36 36 ILE CB C 36 41.594 41.594 39.173 2.421 19013 166 1 . 1 1 37 37 LEU N N 37 125.464 125.464 118.993 6.471 19013 167 1 . 1 1 37 37 LEU HA H 37 4.089 4.089 4.158 -0.069 19013 168 1 . 1 1 37 37 LEU C C 37 178.470 178.470 176.658 1.812 19013 169 1 . 1 1 37 37 LEU CA C 37 57.114 57.114 54.585 2.529 19013 170 1 . 1 1 37 37 LEU CB C 37 42.176 42.176 42.856 -0.680 19013 171 1 . 1 1 38 38 GLU N N 38 120.405 120.405 118.719 1.686 19013 172 1 . 1 1 38 38 GLU HA H 38 4.179 4.179 4.207 -0.028 19013 173 1 . 1 1 38 38 GLU C C 38 175.620 175.620 175.971 -0.351 19013 174 1 . 1 1 38 38 GLU CA C 38 58.630 58.630 56.740 1.890 19013 175 1 . 1 1 38 38 GLU CB C 38 29.551 29.551 30.465 -0.914 19013 176 1 . 1 1 39 39 ASP N N 39 117.746 117.746 119.198 -1.452 19013 177 1 . 1 1 39 39 ASP HA H 39 4.502 4.502 4.535 -0.033 19013 178 1 . 1 1 39 39 ASP C C 39 176.811 176.811 175.574 1.237 19013 179 1 . 1 1 39 39 ASP CA C 39 53.870 53.870 54.653 -0.783 19013 180 1 . 1 1 39 39 ASP CB C 39 40.381 40.381 40.909 -0.528 19013 181 1 . 1 1 40 40 LEU N N 40 127.180 127.180 122.303 4.877 19013 182 1 . 1 1 40 40 LEU HA H 40 4.310 4.310 4.421 -0.111 19013 183 1 . 1 1 40 40 LEU C C 40 177.950 177.950 176.488 1.462 19013 184 1 . 1 1 40 40 LEU CA C 40 55.104 55.104 55.551 -0.447 19013 185 1 . 1 1 40 40 LEU CB C 40 41.706 41.706 42.884 -1.178 19013 186 1 . 1 1 41 41 GLU N N 41 120.599 120.599 119.897 0.702 19013 187 1 . 1 1 41 41 GLU HA H 41 3.930 3.930 4.246 -0.316 19013 188 1 . 1 1 41 41 GLU C C 41 178.353 178.353 176.103 2.250 19013 189 1 . 1 1 41 41 GLU CA C 41 59.238 59.238 57.323 1.914 19013 190 1 . 1 1 41 41 GLU CB C 41 29.391 29.391 30.093 -0.702 19013 191 1 . 1 1 42 42 SER N N 42 114.356 114.356 116.012 -1.656 19013 192 1 . 1 1 42 42 SER HA H 42 4.209 4.209 4.552 -0.343 19013 193 1 . 1 1 42 42 SER C C 42 175.221 175.221 173.908 1.313 19013 194 1 . 1 1 42 42 SER CA C 42 60.331 60.331 58.237 2.094 19013 195 1 . 1 1 42 42 SER CB C 42 62.849 62.849 63.606 -0.757 19013 196 1 . 1 1 43 43 GLU N N 43 119.711 119.711 123.832 -4.121 19013 197 1 . 1 1 43 43 GLU HA H 43 4.286 4.286 4.319 -0.033 19013 198 1 . 1 1 43 43 GLU C C 43 176.893 176.893 176.420 0.473 19013 199 1 . 1 1 43 43 GLU CA C 43 57.593 57.593 57.049 0.544 19013 200 1 . 1 1 43 43 GLU CB C 43 30.441 30.441 29.762 0.679 19013 201 1 . 1 1 44 44 LEU N N 44 117.788 117.788 118.774 -0.986 19013 202 1 . 1 1 44 44 LEU HA H 44 4.354 4.354 4.416 -0.062 19013 203 1 . 1 1 44 44 LEU C C 44 177.944 177.944 177.400 0.544 19013 204 1 . 1 1 44 44 LEU CA C 44 54.941 54.941 54.817 0.124 19013 205 1 . 1 1 44 44 LEU CB C 44 42.375 42.375 42.806 -0.431 19013 206 1 . 1 1 45 45 GLY N N 45 108.349 108.349 108.047 0.302 19013 207 1 . 1 1 45 45 GLY C C 45 173.791 173.791 174.175 -0.384 19013 208 1 . 1 1 45 45 GLY CA C 45 45.637 45.637 45.418 0.219 19013 209 1 . 1 1 46 46 ASP N N 46 119.869 119.869 119.741 0.128 19013 210 1 . 1 1 46 46 ASP HA H 46 4.689 4.689 4.620 0.069 19013 211 1 . 1 1 46 46 ASP C C 46 176.628 176.628 176.453 0.175 19013 212 1 . 1 1 46 46 ASP CA C 46 54.021 54.021 54.666 -0.645 19013 213 1 . 1 1 46 46 ASP CB C 46 41.096 41.096 41.369 -0.273 19013 214 1 . 1 1 47 47 THR N N 47 113.962 113.962 112.957 1.005 19013 215 1 . 1 1 47 47 THR HA H 47 4.258 4.258 4.147 0.111 19013 216 1 . 1 1 47 47 THR C C 47 175.277 175.277 175.195 0.082 19013 217 1 . 1 1 47 47 THR CA C 47 62.715 62.715 63.123 -0.408 19013 218 1 . 1 1 47 47 THR CB C 47 69.504 69.504 68.486 1.019 19013 219 1 . 1 1 48 48 GLU N N 48 121.748 121.748 120.585 1.163 19013 220 1 . 1 1 48 48 GLU HA H 48 4.235 4.235 4.167 0.068 19013 221 1 . 1 1 48 48 GLU C C 48 177.221 177.221 177.178 0.043 19013 222 1 . 1 1 48 48 GLU CA C 48 57.505 57.505 58.279 -0.774 19013 223 1 . 1 1 48 48 GLU CB C 48 29.718 29.718 29.403 0.315 19013 224 1 . 1 1 49 49 THR N N 49 113.781 113.781 110.840 2.941 19013 225 1 . 1 1 49 49 THR HA H 49 4.160 4.160 4.167 -0.007 19013 226 1 . 1 1 49 49 THR C C 49 174.979 174.979 175.048 -0.069 19013 227 1 . 1 1 49 49 THR CA C 49 62.989 62.989 63.503 -0.514 19013 228 1 . 1 1 49 49 THR CB C 49 69.198 69.198 68.828 0.370 19013 229 1 . 1 1 50 50 MET N N 50 121.133 121.133 120.240 0.893 19013 230 1 . 1 1 50 50 MET HA H 50 4.295 4.295 4.507 -0.212 19013 231 1 . 1 1 50 50 MET C C 50 175.846 175.846 175.013 0.833 19013 232 1 . 1 1 50 50 MET CA C 50 55.981 55.981 55.111 0.870 19013 233 1 . 1 1 50 50 MET CB C 50 32.549 32.549 32.413 0.136 19013 234 1 . 1 1 51 51 ARG N N 51 120.641 120.641 121.168 -0.527 19013 235 1 . 1 1 51 51 ARG HA H 51 4.338 4.338 4.675 -0.337 19013 236 1 . 1 1 51 51 ARG C C 51 176.213 176.213 175.571 0.642 19013 237 1 . 1 1 51 51 ARG CA C 51 55.879 55.879 55.377 0.502 19013 238 1 . 1 1 51 51 ARG CB C 51 30.606 30.606 31.537 -0.931 19013 239 1 . 1 1 52 52 THR N N 52 116.663 116.663 113.836 2.827 19013 240 1 . 1 1 52 52 THR HA H 52 4.564 4.564 4.416 0.148 19013 241 1 . 1 1 52 52 THR C C 52 172.814 172.814 173.013 -0.199 19013 242 1 . 1 1 52 52 THR CA C 52 59.828 59.828 61.403 -1.575 19013 243 1 . 1 1 52 52 THR CB C 52 69.498 69.498 68.937 0.561 19013 244 1 . 1 1 53 53 PRO HA H 53 4.340 4.340 4.357 -0.017 19013 245 1 . 1 1 53 53 PRO C C 53 177.518 177.518 176.956 0.562 19013 246 1 . 1 1 53 53 PRO CA C 53 63.990 63.990 63.499 0.491 19013 247 1 . 1 1 53 53 PRO CB C 53 31.917 31.917 31.492 0.425 19013 248 1 . 1 1 54 54 GLY N N 54 108.804 108.804 108.567 0.237 19013 249 1 . 1 1 54 54 GLY C C 54 174.121 174.121 173.305 0.816 19013 250 1 . 1 1 54 54 GLY CA C 54 45.369 45.369 45.032 0.337 19013 251 1 . 1 1 55 55 TYR N N 55 119.872 119.872 119.888 -0.016 19013 252 1 . 1 1 55 55 TYR HA H 55 4.360 4.360 4.530 -0.170 19013 253 1 . 1 1 55 55 TYR C C 55 175.550 175.550 174.401 1.149 19013 254 1 . 1 1 55 55 TYR CA C 55 58.508 58.508 57.056 1.452 19013 255 1 . 1 1 55 55 TYR CB C 55 38.907 38.907 39.369 -0.462 19013 256 1 . 1 1 56 56 PHE N N 56 121.248 121.248 120.619 0.629 19013 257 1 . 1 1 56 56 PHE HA H 56 4.429 4.429 4.669 -0.240 19013 258 1 . 1 1 56 56 PHE C C 56 175.354 175.354 175.921 -0.567 19013 259 1 . 1 1 56 56 PHE CA C 56 58.138 58.138 57.667 0.471 19013 260 1 . 1 1 56 56 PHE CB C 56 39.513 39.513 40.342 -0.829 19013 261 1 . 1 1 57 57 PHE N N 57 121.226 121.226 118.719 2.507 19013 262 1 . 1 1 57 57 PHE HA H 57 4.473 4.473 4.688 -0.215 19013 263 1 . 1 1 57 57 PHE C C 57 175.182 175.182 175.345 -0.163 19013 264 1 . 1 1 57 57 PHE CA C 57 57.826 57.826 57.429 0.397 19013 265 1 . 1 1 57 57 PHE CB C 57 39.529 39.529 39.386 0.143 19013 266 1 . 1 1 58 58 GLN N N 58 121.160 121.160 119.912 1.248 19013 267 1 . 1 1 58 58 GLN HA H 58 4.232 4.232 4.057 0.175 19013 268 1 . 1 1 58 58 GLN C C 58 175.287 175.287 175.319 -0.032 19013 269 1 . 1 1 58 58 GLN CA C 58 55.406 55.406 55.617 -0.211 19013 270 1 . 1 1 58 58 GLN CB C 58 29.477 29.477 28.903 0.573 19013 271 1 . 1 1 59 59 GLN N N 59 120.923 120.923 122.229 -1.306 19013 272 1 . 1 1 59 59 GLN HA H 59 4.286 4.286 4.359 -0.073 19013 273 1 . 1 1 59 59 GLN C C 59 175.318 175.318 175.144 0.174 19013 274 1 . 1 1 59 59 GLN CA C 59 55.297 55.297 56.245 -0.948 19013 275 1 . 1 1 59 59 GLN CB C 59 29.419 29.419 28.960 0.459 19013 276 1 . 1 1 60 60 ALA N N 60 126.737 126.737 125.349 1.388 19013 277 1 . 1 1 60 60 ALA HA H 60 4.536 4.536 4.524 0.011 19013 278 1 . 1 1 60 60 ALA C C 60 175.924 175.924 175.819 0.105 19013 279 1 . 1 1 60 60 ALA CA C 60 50.682 50.682 50.543 0.139 19013 280 1 . 1 1 60 60 ALA CB C 60 18.173 18.173 18.864 -0.691 19013 281 1 . 1 1 61 61 PRO HA H 61 4.404 4.404 4.327 0.077 19013 282 1 . 1 1 61 61 PRO C C 61 176.902 176.902 176.650 0.252 19013 283 1 . 1 1 61 61 PRO CA C 61 63.549 63.549 64.098 -0.549 19013 284 1 . 1 1 61 61 PRO CB C 61 31.981 31.981 31.867 0.114 19013 285 1 . 1 1 62 62 ASN N N 62 116.490 116.490 116.266 0.224 19013 286 1 . 1 1 62 62 ASN HA H 62 4.600 4.600 4.663 -0.063 19013 287 1 . 1 1 62 62 ASN C C 62 174.942 174.942 174.764 0.178 19013 288 1 . 1 1 62 62 ASN CA C 62 53.299 53.299 53.423 -0.125 19013 289 1 . 1 1 62 62 ASN CB C 62 38.021 38.021 38.279 -0.258 19013 290 1 . 1 1 63 63 ARG N N 63 120.117 120.117 120.297 -0.180 19013 291 1 . 1 1 63 63 ARG HA H 63 4.361 4.361 4.564 -0.204 19013 292 1 . 1 1 63 63 ARG C C 63 175.853 175.853 175.233 0.620 19013 293 1 . 1 1 63 63 ARG CA C 63 55.555 55.555 54.857 0.698 19013 294 1 . 1 1 63 63 ARG CB C 63 31.085 31.085 32.136 -1.051 19013 295 1 . 1 1 64 64 ARG N N 64 123.061 123.061 122.102 0.959 19013 296 1 . 1 1 64 64 ARG HA H 64 4.300 4.300 4.419 -0.119 19013 297 1 . 1 1 64 64 ARG C C 64 175.995 175.995 176.490 -0.495 19013 298 1 . 1 1 64 64 ARG CA C 64 56.003 56.003 56.431 -0.428 19013 299 1 . 1 1 64 64 ARG CB C 64 30.480 30.480 30.144 0.336 19013 300 1 . 1 1 65 65 ARG N N 65 123.698 123.698 121.001 2.697 19013 301 1 . 1 1 65 65 ARG HA H 65 4.576 4.576 4.347 0.229 19013 302 1 . 1 1 65 65 ARG C C 65 176.085 176.085 176.411 -0.326 19013 303 1 . 1 1 65 65 ARG CA C 65 55.448 55.448 57.052 -1.604 19013 304 1 . 1 1 65 65 ARG CB C 65 31.155 31.155 30.840 0.315 19013 305 1 . 1 1 66 66 ILE N N 66 120.928 120.928 118.807 2.121 19013 306 1 . 1 1 66 66 ILE HA H 66 4.435 4.435 4.136 0.299 19013 307 1 . 1 1 66 66 ILE C C 66 175.488 175.488 175.695 -0.207 19013 308 1 . 1 1 66 66 ILE CA C 66 60.214 60.214 61.594 -1.380 19013 309 1 . 1 1 66 66 ILE CB C 66 40.154 40.154 39.050 1.104 19013 310 1 . 1 1 67 67 SER N N 67 119.534 119.534 118.585 0.949 19013 311 1 . 1 1 67 67 SER HA H 67 4.431 4.431 4.344 0.087 19013 312 1 . 1 1 67 67 SER C C 67 174.034 174.034 174.009 0.025 19013 313 1 . 1 1 67 67 SER CA C 67 58.599 58.599 59.625 -1.026 19013 314 1 . 1 1 67 67 SER CB C 67 63.499 63.499 63.168 0.331 19013 315 1 . 1 1 68 68 ARG N N 68 124.936 124.936 120.407 4.529 19013 316 1 . 1 1 68 68 ARG HA H 68 4.575 4.575 4.517 0.058 19013 317 1 . 1 1 68 68 ARG C C 68 175.967 175.967 174.930 1.037 19013 318 1 . 1 1 68 68 ARG CA C 68 55.454 55.454 54.814 0.640 19013 319 1 . 1 1 68 68 ARG CB C 68 32.473 32.473 32.150 0.323 19013 320 1 . 1 1 69 69 GLU N N 69 136.462 136.462 122.733 13.729 19013 321 1 . 1 1 69 69 GLU HA H 69 4.505 4.505 4.278 0.227 19013 322 1 . 1 1 69 69 GLU C C 69 174.852 174.852 175.335 -0.483 19013 323 1 . 1 1 69 69 GLU CA C 69 56.194 56.194 56.457 -0.263 19013 324 1 . 1 1 69 69 GLU CB C 69 29.801 29.801 30.279 -0.478 19013 325 1 . 1 1 70 70 HIS N N 70 120.728 120.728 119.193 1.535 19013 326 1 . 1 1 70 70 HIS HA H 70 3.736 3.736 4.608 -0.872 19013 327 1 . 1 1 70 70 HIS C C 70 171.455 171.455 173.337 -1.882 19013 328 1 . 1 1 70 70 HIS CA C 70 54.574 54.574 54.114 0.460 19013 329 1 . 1 1 70 70 HIS CB C 70 31.116 31.116 32.035 -0.919 19013 330 1 . 1 1 71 71 GLY N N 71 108.698 108.698 108.489 0.209 19013 331 1 . 1 1 71 71 GLY C C 71 174.611 174.611 173.409 1.202 19013 332 1 . 1 1 71 71 GLY CA C 71 43.064 43.064 43.753 -0.689 19013 333 1 . 1 1 72 72 ARG N N 72 123.350 123.350 118.462 4.888 19013 334 1 . 1 1 72 72 ARG HA H 72 4.195 4.195 4.260 -0.065 19013 335 1 . 1 1 72 72 ARG C C 72 178.495 178.495 176.355 2.140 19013 336 1 . 1 1 72 72 ARG CA C 72 60.196 60.196 57.716 2.480 19013 337 1 . 1 1 72 72 ARG CB C 72 30.822 30.822 30.764 0.058 19013 338 1 . 1 1 73 73 THR N N 73 103.467 103.467 108.879 -5.412 19013 339 1 . 1 1 73 73 THR HA H 73 4.196 4.196 4.489 -0.293 19013 340 1 . 1 1 73 73 THR C C 73 171.300 171.300 172.852 -1.552 19013 341 1 . 1 1 73 73 THR CA C 73 59.336 59.336 61.793 -2.457 19013 342 1 . 1 1 73 73 THR CB C 73 69.837 69.837 69.516 0.321 19013 343 1 . 1 1 74 74 TRP N N 74 112.582 112.582 119.513 -6.931 19013 344 1 . 1 1 74 74 TRP HA H 74 5.707 5.707 5.685 0.022 19013 345 1 . 1 1 74 74 TRP C C 74 176.667 176.667 174.113 2.554 19013 346 1 . 1 1 74 74 TRP CA C 74 54.882 54.882 54.723 0.159 19013 347 1 . 1 1 74 74 TRP CB C 74 32.860 32.860 32.059 0.801 19013 348 1 . 1 1 75 75 THR N N 75 114.629 114.629 117.972 -3.343 19013 349 1 . 1 1 75 75 THR HA H 75 4.594 4.594 4.728 -0.134 19013 350 1 . 1 1 75 75 THR C C 75 170.237 170.237 173.144 -2.907 19013 351 1 . 1 1 75 75 THR CA C 75 61.354 61.354 61.444 -0.090 19013 352 1 . 1 1 75 75 THR CB C 75 69.887 69.887 72.057 -2.170 19013 353 1 . 1 1 76 76 LYS N N 76 130.596 130.596 129.042 1.554 19013 354 1 . 1 1 76 76 LYS HA H 76 5.722 5.722 5.168 0.554 19013 355 1 . 1 1 76 76 LYS C C 76 177.934 177.934 175.687 2.247 19013 356 1 . 1 1 76 76 LYS CA C 76 56.040 56.040 55.647 0.393 19013 357 1 . 1 1 76 76 LYS CB C 76 35.170 35.170 33.581 1.589 19013 358 1 . 1 1 77 77 LEU N N 77 128.006 128.006 128.463 -0.457 19013 359 1 . 1 1 77 77 LEU HA H 77 4.287 4.287 4.633 -0.346 19013 360 1 . 1 1 77 77 LEU C C 77 174.557 174.557 175.353 -0.796 19013 361 1 . 1 1 77 77 LEU CA C 77 55.298 55.298 53.809 1.489 19013 362 1 . 1 1 77 77 LEU CB C 77 46.100 46.100 43.801 2.299 19013 363 1 . 1 1 78 78 THR N N 78 123.666 123.666 120.321 3.345 19013 364 1 . 1 1 78 78 THR HA H 78 4.435 4.435 4.700 -0.265 19013 365 1 . 1 1 78 78 THR C C 78 174.067 174.067 174.106 -0.039 19013 366 1 . 1 1 78 78 THR CA C 78 62.500 62.500 61.769 0.731 19013 367 1 . 1 1 78 78 THR CB C 78 67.902 67.902 69.513 -1.611 19013 368 1 . 1 1 79 79 TYR N N 79 125.290 125.290 125.780 -0.490 19013 369 1 . 1 1 79 79 TYR HA H 79 4.952 4.952 4.577 0.375 19013 370 1 . 1 1 79 79 TYR C C 79 176.523 176.523 176.917 -0.394 19013 371 1 . 1 1 79 79 TYR CA C 79 59.379 59.379 58.932 0.447 19013 372 1 . 1 1 79 79 TYR CB C 79 39.819 39.819 38.995 0.824 19013 373 1 . 1 1 80 80 ALA N N 80 121.971 121.971 120.990 0.981 19013 374 1 . 1 1 80 80 ALA HA H 80 4.060 4.060 3.936 0.124 19013 375 1 . 1 1 80 80 ALA C C 80 177.255 177.255 176.703 0.552 19013 376 1 . 1 1 80 80 ALA CA C 80 53.930 53.930 53.606 0.324 19013 377 1 . 1 1 80 80 ALA CB C 80 19.186 19.186 17.364 1.823 19013 378 1 . 1 1 81 81 ASN N N 81 112.786 112.786 117.636 -4.850 19013 379 1 . 1 1 81 81 ASN HA H 81 5.097 5.097 4.906 0.191 19013 380 1 . 1 1 81 81 ASN C C 81 175.438 175.438 175.593 -0.155 19013 381 1 . 1 1 81 81 ASN CA C 81 51.488 51.488 52.387 -0.899 19013 382 1 . 1 1 81 81 ASN CB C 81 41.430 41.430 40.002 1.429 19013 383 1 . 1 1 82 82 HIS N N 82 123.560 123.560 122.181 1.379 19013 384 1 . 1 1 82 82 HIS HA H 82 4.287 4.287 4.473 -0.186 19013 385 1 . 1 1 82 82 HIS C C 82 176.494 176.494 176.734 -0.240 19013 386 1 . 1 1 82 82 HIS CA C 82 59.091 59.091 59.256 -0.165 19013 387 1 . 1 1 82 82 HIS CB C 82 28.563 28.563 29.913 -1.350 19013 388 1 . 1 1 83 83 SER N N 83 114.623 114.623 115.221 -0.598 19013 389 1 . 1 1 83 83 SER HA H 83 4.095 4.095 4.152 -0.056 19013 390 1 . 1 1 83 83 SER C C 83 177.619 177.619 176.624 0.995 19013 391 1 . 1 1 83 83 SER CA C 83 61.637 61.637 61.443 0.194 19013 392 1 . 1 1 83 83 SER CB C 83 61.644 61.644 62.704 -1.060 19013 393 1 . 1 1 84 84 SER N N 84 120.863 120.863 116.576 4.287 19013 394 1 . 1 1 84 84 SER HA H 84 3.935 3.935 4.118 -0.183 19013 395 1 . 1 1 84 84 SER C C 84 173.466 173.466 175.827 -2.361 19013 396 1 . 1 1 84 84 SER CA C 84 62.250 62.250 60.207 2.043 19013 397 1 . 1 1 84 84 SER CB C 84 62.700 62.700 62.726 -0.026 19013 398 1 . 1 1 85 85 TYR N N 85 122.263 122.263 124.013 -1.750 19013 399 1 . 1 1 85 85 TYR HA H 85 3.769 3.769 4.086 -0.317 19013 400 1 . 1 1 85 85 TYR C C 85 175.010 175.010 177.365 -2.355 19013 401 1 . 1 1 85 85 TYR CA C 85 60.673 60.673 61.586 -0.913 19013 402 1 . 1 1 85 85 TYR CB C 85 37.625 37.625 38.376 -0.751 19013 403 1 . 1 1 86 86 LEU N N 86 117.366 117.366 118.359 -0.993 19013 404 1 . 1 1 86 86 LEU HA H 86 3.537 3.537 3.893 -0.356 19013 405 1 . 1 1 86 86 LEU C C 86 179.942 179.942 178.908 1.034 19013 406 1 . 1 1 86 86 LEU CA C 86 57.269 57.269 57.372 -0.103 19013 407 1 . 1 1 86 86 LEU CB C 86 41.694 41.694 41.338 0.356 19013 408 1 . 1 1 87 87 ARG N N 87 118.578 118.578 118.568 0.010 19013 409 1 . 1 1 87 87 ARG HA H 87 3.848 3.848 4.012 -0.164 19013 410 1 . 1 1 87 87 ARG C C 87 178.784 178.784 178.164 0.620 19013 411 1 . 1 1 87 87 ARG CA C 87 57.441 57.441 58.590 -1.149 19013 412 1 . 1 1 87 87 ARG CB C 87 28.941 28.941 29.864 -0.923 19013 413 1 . 1 1 88 88 ALA N N 88 123.868 123.868 120.926 2.942 19013 414 1 . 1 1 88 88 ALA HA H 88 3.543 3.543 4.232 -0.689 19013 415 1 . 1 1 88 88 ALA C C 88 179.517 179.517 178.410 1.107 19013 416 1 . 1 1 88 88 ALA CA C 88 55.414 55.414 53.604 1.810 19013 417 1 . 1 1 88 88 ALA CB C 88 18.142 18.142 18.342 -0.200 19013 418 1 . 1 1 89 89 LEU N N 89 114.573 114.573 118.270 -3.697 19013 419 1 . 1 1 89 89 LEU HA H 89 3.924 3.924 4.130 -0.206 19013 420 1 . 1 1 89 89 LEU C C 89 180.088 180.088 176.622 3.466 19013 421 1 . 1 1 89 89 LEU CA C 89 57.417 57.417 55.001 2.416 19013 422 1 . 1 1 89 89 LEU CB C 89 41.886 41.886 41.515 0.371 19013 423 1 . 1 1 90 90 ARG N N 90 116.735 116.735 119.004 -2.269 19013 424 1 . 1 1 90 90 ARG HA H 90 4.132 4.132 4.140 -0.008 19013 425 1 . 1 1 90 90 ARG C C 90 177.429 177.429 176.063 1.366 19013 426 1 . 1 1 90 90 ARG CA C 90 57.799 57.799 56.896 0.903 19013 427 1 . 1 1 90 90 ARG CB C 90 29.834 29.834 29.419 0.415 19013 428 1 . 1 1 91 91 GLU N N 91 115.787 115.787 121.802 -6.015 19013 429 1 . 1 1 91 91 GLU HA H 91 4.147 4.147 4.376 -0.229 19013 430 1 . 1 1 91 91 GLU C C 91 176.303 176.303 175.735 0.568 19013 431 1 . 1 1 91 91 GLU CA C 91 55.336 55.336 56.287 -0.951 19013 432 1 . 1 1 91 91 GLU CB C 91 29.705 29.705 29.900 -0.195 19013 433 1 . 1 1 92 92 HIS N N 92 118.997 118.997 119.901 -0.904 19013 434 1 . 1 1 92 92 HIS HA H 92 4.271 4.271 4.577 -0.306 19013 435 1 . 1 1 92 92 HIS C C 92 176.823 176.823 175.898 0.925 19013 436 1 . 1 1 92 92 HIS CA C 92 59.453 59.453 56.451 3.002 19013 437 1 . 1 1 92 92 HIS CB C 92 30.812 30.812 29.610 1.202 19013 438 1 . 1 1 93 93 GLY N N 93 116.944 116.944 111.739 5.205 19013 439 1 . 1 1 93 93 GLY C C 93 174.512 174.512 174.219 0.293 19013 440 1 . 1 1 93 93 GLY CA C 93 44.976 44.976 45.258 -0.282 19013 441 1 . 1 1 94 94 THR N N 94 117.838 117.838 118.201 -0.363 19013 442 1 . 1 1 94 94 THR HA H 94 4.059 4.059 4.397 -0.338 19013 443 1 . 1 1 94 94 THR C C 94 172.656 172.656 173.214 -0.558 19013 444 1 . 1 1 94 94 THR CA C 94 63.330 63.330 62.780 0.550 19013 445 1 . 1 1 94 94 THR CB C 94 69.936 69.936 68.542 1.394 19013 446 1 . 1 1 95 95 ILE N N 95 124.155 124.155 126.728 -2.573 19013 447 1 . 1 1 95 95 ILE HA H 95 4.388 4.388 4.437 -0.049 19013 448 1 . 1 1 95 95 ILE C C 95 175.534 175.534 174.885 0.649 19013 449 1 . 1 1 95 95 ILE CA C 95 59.777 59.777 60.778 -1.001 19013 450 1 . 1 1 95 95 ILE CB C 95 35.990 35.990 39.143 -3.153 19013 451 1 . 1 1 96 96 TYR N N 96 130.370 130.370 128.308 2.062 19013 452 1 . 1 1 96 96 TYR HA H 96 4.563 4.563 4.774 -0.211 19013 453 1 . 1 1 96 96 TYR C C 96 174.539 174.539 175.766 -1.227 19013 454 1 . 1 1 96 96 TYR CA C 96 57.456 57.456 58.054 -0.598 19013 455 1 . 1 1 96 96 TYR CB C 96 41.727 41.727 41.626 0.101 19013 456 1 . 1 1 97 97 CYS N N 97 123.936 123.936 125.618 -1.682 19013 457 1 . 1 1 97 97 CYS HA H 97 3.658 3.658 3.981 -0.323 19013 458 1 . 1 1 97 97 CYS C C 97 175.798 175.798 175.169 0.629 19013 459 1 . 1 1 97 97 CYS CA C 97 60.821 60.821 60.020 0.801 19013 460 1 . 1 1 97 97 CYS CB C 97 25.479 25.479 26.774 -1.295 19013 461 1 . 1 1 98 98 GLY N N 98 103.268 103.268 105.710 -2.442 19013 462 1 . 1 1 98 98 GLY C C 98 173.270 173.270 173.097 0.173 19013 463 1 . 1 1 98 98 GLY CA C 98 45.312 45.312 44.860 0.452 19013 464 1 . 1 1 99 99 ALA N N 99 123.511 123.511 123.078 0.433 19013 465 1 . 1 1 99 99 ALA HA H 99 4.695 4.695 4.696 -0.001 19013 466 1 . 1 1 99 99 ALA C C 99 175.215 175.215 175.457 -0.242 19013 467 1 . 1 1 99 99 ALA CA C 99 50.778 50.778 50.905 -0.127 19013 468 1 . 1 1 99 99 ALA CB C 99 21.755 21.755 21.556 0.199 19013 469 1 . 1 1 100 100 ALA N N 100 124.957 124.957 124.724 0.233 19013 470 1 . 1 1 100 100 ALA HA H 100 4.633 4.633 5.169 -0.536 19013 471 1 . 1 1 100 100 ALA C C 100 177.477 177.477 177.770 -0.293 19013 472 1 . 1 1 100 100 ALA CA C 100 51.523 51.523 51.197 0.326 19013 473 1 . 1 1 100 100 ALA CB C 100 18.169 18.169 19.401 -1.232 19013 474 1 . 1 1 101 101 ILE N N 101 121.598 121.598 119.914 1.684 19013 475 1 . 1 1 101 101 ILE HA H 101 4.455 4.455 4.523 -0.068 19013 476 1 . 1 1 101 101 ILE C C 101 175.956 175.956 175.491 0.465 19013 477 1 . 1 1 101 101 ILE CA C 101 59.964 59.964 60.124 -0.160 19013 478 1 . 1 1 101 101 ILE CB C 101 39.835 39.835 38.571 1.264 19013 479 1 . 1 1 102 102 GLY N N 102 113.717 113.717 112.915 0.802 19013 480 1 . 1 1 102 102 GLY C C 102 172.857 172.857 172.247 0.610 19013 481 1 . 1 1 102 102 GLY CA C 102 42.444 42.444 43.650 -1.206 19013 482 1 . 1 1 103 103 CYS HA H 103 5.534 5.534 5.437 0.097 19013 483 1 . 1 1 103 103 CYS C C 103 172.624 172.624 173.890 -1.266 19013 484 1 . 1 1 103 103 CYS CA C 103 58.703 58.703 56.939 1.764 19013 485 1 . 1 1 103 103 CYS CB C 103 27.343 27.343 29.135 -1.792 19013 486 1 . 1 1 104 104 VAL N N 104 118.519 118.519 121.712 -3.193 19013 487 1 . 1 1 104 104 VAL HA H 104 4.905 4.905 4.782 0.123 19013 488 1 . 1 1 104 104 VAL C C 104 172.705 172.705 173.483 -0.778 19013 489 1 . 1 1 104 104 VAL CA C 104 57.413 57.413 58.047 -0.634 19013 490 1 . 1 1 104 104 VAL CB C 104 33.103 33.103 33.629 -0.526 19013 491 1 . 1 1 105 105 PRO HA H 105 4.615 4.615 4.605 0.010 19013 492 1 . 1 1 105 105 PRO C C 105 176.557 176.557 176.179 0.378 19013 493 1 . 1 1 105 105 PRO CA C 105 63.554 63.554 62.889 0.665 19013 494 1 . 1 1 105 105 PRO CB C 105 32.666 32.666 32.200 0.466 19013 495 1 . 1 1 106 106 TYR N N 106 121.923 121.923 123.992 -2.069 19013 496 1 . 1 1 106 106 TYR HA H 106 3.830 3.830 4.253 -0.423 19013 497 1 . 1 1 106 106 TYR C C 106 174.643 174.643 174.832 -0.189 19013 498 1 . 1 1 106 106 TYR CA C 106 61.018 61.018 60.040 0.978 19013 499 1 . 1 1 106 106 TYR CB C 106 39.387 39.387 38.607 0.780 19013 500 1 . 1 1 107 107 LYS N N 107 124.087 124.087 126.910 -2.823 19013 501 1 . 1 1 107 107 LYS HA H 107 4.181 4.181 4.487 -0.306 19013 502 1 . 1 1 107 107 LYS C C 107 176.443 176.443 176.023 0.420 19013 503 1 . 1 1 107 107 LYS CA C 107 54.777 54.777 54.476 0.301 19013 504 1 . 1 1 107 107 LYS CB C 107 35.925 35.925 34.631 1.294 19013 505 1 . 1 1 108 108 HIS N N 108 124.171 124.171 124.669 -0.498 19013 506 1 . 1 1 108 108 HIS HA H 108 3.960 3.960 4.020 -0.060 19013 507 1 . 1 1 108 108 HIS C C 108 176.998 176.998 176.864 0.134 19013 508 1 . 1 1 108 108 HIS CA C 108 59.599 59.599 60.101 -0.502 19013 509 1 . 1 1 108 108 HIS CB C 108 28.548 28.548 29.994 -1.446 19013 510 1 . 1 1 109 109 GLU N N 109 118.941 118.941 119.841 -0.900 19013 511 1 . 1 1 109 109 GLU HA H 109 3.913 3.913 3.994 -0.081 19013 512 1 . 1 1 109 109 GLU C C 109 177.738 177.738 178.490 -0.752 19013 513 1 . 1 1 109 109 GLU CA C 109 59.337 59.337 58.989 0.348 19013 514 1 . 1 1 109 109 GLU CB C 109 28.719 28.719 28.996 -0.277 19013 515 1 . 1 1 110 110 LEU N N 110 118.555 118.555 120.465 -1.910 19013 516 1 . 1 1 110 110 LEU HA H 110 4.001 4.001 3.951 0.050 19013 517 1 . 1 1 110 110 LEU C C 110 177.872 177.872 178.223 -0.352 19013 518 1 . 1 1 110 110 LEU CA C 110 56.373 56.373 57.552 -1.179 19013 519 1 . 1 1 110 110 LEU CB C 110 41.955 41.955 41.513 0.442 19013 520 1 . 1 1 111 111 ILE N N 111 117.129 117.129 118.351 -1.222 19013 521 1 . 1 1 111 111 ILE HA H 111 2.970 2.970 3.167 -0.197 19013 522 1 . 1 1 111 111 ILE C C 111 178.773 178.773 178.223 0.550 19013 523 1 . 1 1 111 111 ILE CA C 111 62.738 62.738 63.668 -0.930 19013 524 1 . 1 1 111 111 ILE CB C 111 35.418 35.418 35.999 -0.582 19013 525 1 . 1 1 112 112 SER N N 112 116.165 116.165 116.289 -0.124 19013 526 1 . 1 1 112 112 SER HA H 112 4.000 4.000 4.016 -0.016 19013 527 1 . 1 1 112 112 SER C C 112 176.313 176.313 176.676 -0.363 19013 528 1 . 1 1 112 112 SER CA C 112 61.433 61.433 61.921 -0.488 19013 529 1 . 1 1 112 112 SER CB C 112 62.188 62.188 62.778 -0.590 19013 530 1 . 1 1 113 113 GLU N N 113 120.732 120.732 121.762 -1.030 19013 531 1 . 1 1 113 113 GLU HA H 113 3.986 3.986 3.959 0.027 19013 532 1 . 1 1 113 113 GLU C C 113 178.799 178.799 178.947 -0.148 19013 533 1 . 1 1 113 113 GLU CA C 113 58.521 58.521 58.979 -0.458 19013 534 1 . 1 1 113 113 GLU CB C 113 29.382 29.382 29.432 -0.050 19013 535 1 . 1 1 114 114 LEU N N 114 119.452 119.452 118.995 0.457 19013 536 1 . 1 1 114 114 LEU HA H 114 3.723 3.723 3.828 -0.105 19013 537 1 . 1 1 114 114 LEU C C 114 179.184 179.184 179.071 0.113 19013 538 1 . 1 1 114 114 LEU CA C 114 56.684 56.684 57.307 -0.624 19013 539 1 . 1 1 114 114 LEU CB C 114 39.987 39.987 41.192 -1.205 19013 540 1 . 1 1 115 115 SER N N 115 112.708 112.708 113.946 -1.238 19013 541 1 . 1 1 115 115 SER HA H 115 4.615 4.615 4.373 0.242 19013 542 1 . 1 1 115 115 SER C C 115 174.994 174.994 176.024 -1.030 19013 543 1 . 1 1 115 115 SER CA C 115 59.706 59.706 60.879 -1.173 19013 544 1 . 1 1 115 115 SER CB C 115 63.512 63.512 63.108 0.404 19013 545 1 . 1 1 116 116 ARG N N 116 121.600 121.600 120.113 1.487 19013 546 1 . 1 1 116 116 ARG HA H 116 4.241 4.241 4.158 0.083 19013 547 1 . 1 1 116 116 ARG C C 116 176.893 176.893 176.718 0.175 19013 548 1 . 1 1 116 116 ARG CA C 116 57.022 57.022 57.397 -0.375 19013 549 1 . 1 1 116 116 ARG CB C 116 30.163 30.163 30.411 -0.248 19013 550 1 . 1 1 117 117 GLU N N 117 120.450 120.450 117.551 2.899 19013 551 1 . 1 1 117 117 GLU HA H 117 4.240 4.240 4.093 0.147 19013 552 1 . 1 1 117 117 GLU C C 117 177.260 177.260 176.391 0.869 19013 553 1 . 1 1 117 117 GLU CA C 117 57.042 57.042 56.926 0.116 19013 554 1 . 1 1 117 117 GLU CB C 117 29.763 29.763 28.732 1.031 19013 555 1 . 1 1 118 118 GLY N N 118 108.905 108.905 108.340 0.565 19013 556 1 . 1 1 118 118 GLY C C 118 174.225 174.225 173.918 0.307 19013 557 1 . 1 1 118 118 GLY CA C 118 45.383 45.383 45.000 0.383 19013 558 1 . 1 1 119 119 HIS N N 119 117.625 117.625 120.092 -2.467 19013 559 1 . 1 1 119 119 HIS HA H 119 4.659 4.659 4.498 0.161 19013 560 1 . 1 1 119 119 HIS C C 119 174.439 174.439 174.650 -0.211 19013 561 1 . 1 1 119 119 HIS CA C 119 55.413 55.413 56.297 -0.884 19013 562 1 . 1 1 119 119 HIS CB C 119 28.904 28.904 29.782 -0.878 19013 563 1 . 1 1 120 120 HIS N N 120 119.015 119.015 121.112 -2.097 19013 564 1 . 1 1 120 120 HIS HA H 120 4.672 4.672 4.601 0.071 19013 565 1 . 1 1 120 120 HIS C C 120 174.259 174.259 174.844 -0.585 19013 566 1 . 1 1 120 120 HIS CA C 120 55.321 55.321 56.147 -0.826 19013 567 1 . 1 1 120 120 HIS CB C 120 29.098 29.098 30.100 -1.002 19013 568 1 . 1 1 121 121 HIS N N 121 119.872 119.872 120.053 -0.181 19013 569 1 . 1 1 121 121 HIS HA H 121 4.680 4.680 4.461 0.219 19013 570 1 . 1 1 121 121 HIS C C 121 174.245 174.245 174.316 -0.071 19013 571 1 . 1 1 121 121 HIS CA C 121 55.389 55.389 56.238 -0.849 19013 572 1 . 1 1 121 121 HIS CB C 121 29.259 29.259 31.019 -1.760 19013 573 1 . 1 1 122 122 HIS N N 122 120.597 120.597 119.903 0.694 19013 574 1 . 1 1 122 122 HIS HA H 122 4.687 4.687 4.578 0.109 19013 575 1 . 1 1 122 122 HIS C C 122 174.101 174.101 174.834 -0.733 19013 576 1 . 1 1 122 122 HIS CA C 122 55.386 55.386 56.437 -1.051 19013 577 1 . 1 1 122 122 HIS CB C 122 29.349 29.349 30.355 -1.006 19013 578 1 . 1 1 123 123 HIS N N 123 120.680 120.680 121.437 -0.757 19013 579 1 . 1 1 123 123 HIS HA H 123 4.656 4.656 4.471 0.185 19013 580 1 . 1 1 123 123 HIS C C 123 173.591 173.591 174.649 -1.058 19013 581 1 . 1 1 123 123 HIS CA C 123 55.563 55.563 56.609 -1.046 19013 582 1 . 1 1 123 123 HIS CB C 123 29.456 29.456 30.063 -0.607 19013 stop_ save_