data_19459 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19459 _Entry.PDB_ID 2MCZ 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 19459 _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 CYS N N 2 117.967 117.967 117.999 -0.032 19459 2 1 1 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.878 -0.351 19459 3 1 1 . 1 1 2 2 CYS C C 2 174.023 174.023 175.329 -1.306 19459 4 1 1 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.019 -0.047 19459 5 1 1 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.634 17.425 19459 6 1 1 . 1 1 2 2 CYS H H 2 9.327 9.327 8.578 0.749 19459 7 1 1 . 1 1 3 3 ASN N N 3 119.722 119.722 115.873 3.849 19459 8 1 1 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.683 0.566 19459 9 1 1 . 1 1 3 3 ASN C C 3 175.027 175.027 174.315 0.712 19459 10 1 1 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.509 -0.996 19459 11 1 1 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.119 2.524 19459 12 1 1 . 1 1 3 3 ASN H H 3 8.686 8.686 8.403 0.283 19459 13 1 1 . 1 1 4 4 ALA N N 4 122.403 122.403 118.168 4.235 19459 14 1 1 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.655 -0.226 19459 15 1 1 . 1 1 4 4 ALA C C 4 173.517 173.517 176.131 -2.614 19459 16 1 1 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.416 -0.604 19459 17 1 1 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.735 -1.748 19459 18 1 1 . 1 1 4 4 ALA H H 4 8.401 8.401 7.955 0.446 19459 19 1 1 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.613 -0.705 19459 20 1 1 . 1 1 5 5 PRO C C 5 172.806 172.806 176.776 -3.970 19459 21 1 1 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.144 -1.693 19459 22 1 1 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.115 -0.563 19459 23 1 1 . 1 1 6 6 GLU N N 6 121.296 121.296 114.001 7.295 19459 24 1 1 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.415 -0.224 19459 25 1 1 . 1 1 6 6 GLU C C 6 172.835 172.835 174.386 -1.551 19459 26 1 1 . 1 1 6 6 GLU CA C 6 56.175 56.175 56.034 0.141 19459 27 1 1 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.010 0.954 19459 28 1 1 . 1 1 6 6 GLU H H 6 8.443 8.443 8.182 0.261 19459 29 1 1 . 1 1 7 7 TRP N N 7 124.746 124.746 122.825 1.921 19459 30 1 1 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.772 -0.840 19459 31 1 1 . 1 1 7 7 TRP C C 7 174.236 174.236 174.986 -0.750 19459 32 1 1 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.431 2.482 19459 33 1 1 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.101 -1.068 19459 34 1 1 . 1 1 7 7 TRP H H 7 8.674 8.674 8.526 0.148 19459 35 1 1 . 1 1 8 8 LEU N N 8 125.782 125.782 131.430 -5.648 19459 36 1 1 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.317 0.239 19459 37 1 1 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.064 -0.099 19459 38 1 1 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.964 -1.071 19459 39 1 1 . 1 1 8 8 LEU H H 8 7.922 7.922 7.920 0.002 19459 40 1 1 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.611 -0.013 19459 41 1 1 . 1 1 9 9 PRO C C 9 172.961 172.961 176.917 -3.956 19459 42 1 1 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.358 -0.818 19459 43 1 1 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.242 0.195 19459 44 1 1 . 1 1 10 10 PHE N N 10 106.863 106.863 114.495 -7.632 19459 45 1 1 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.258 -0.649 19459 46 1 1 . 1 1 10 10 PHE C C 10 175.535 175.535 175.288 0.247 19459 47 1 1 . 1 1 10 10 PHE CA C 10 53.857 53.857 56.985 -3.128 19459 48 1 1 . 1 1 10 10 PHE CB C 10 40.775 40.775 38.356 2.419 19459 49 1 1 . 1 1 10 10 PHE H H 10 5.588 5.588 7.441 -1.853 19459 50 1 1 . 1 1 11 11 ALA N N 11 121.214 121.214 118.868 2.346 19459 51 1 1 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.446 -0.303 19459 52 1 1 . 1 1 11 11 ALA C C 11 175.918 175.918 175.773 0.145 19459 53 1 1 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.665 1.203 19459 54 1 1 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.102 2.628 19459 55 1 1 . 1 1 11 11 ALA H H 11 6.349 6.349 7.253 -0.904 19459 56 1 1 . 1 1 12 12 ARG N N 12 117.160 117.160 121.303 -4.143 19459 57 1 1 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.756 -0.059 19459 58 1 1 . 1 1 12 12 ARG C C 12 178.499 178.499 173.491 5.008 19459 59 1 1 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.183 1.681 19459 60 1 1 . 1 1 12 12 ARG H H 12 9.219 9.219 8.190 1.029 19459 61 1 1 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.603 -0.934 19459 62 1 1 . 1 1 13 13 PRO C C 13 171.555 171.555 178.498 -6.943 19459 63 1 1 . 1 1 13 13 PRO CA C 13 61.381 61.381 61.932 -0.551 19459 64 1 1 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.971 -0.423 19459 65 1 1 . 1 1 14 14 THR N N 14 112.823 112.823 115.359 -2.536 19459 66 1 1 . 1 1 14 14 THR HA H 14 3.905 3.905 3.983 -0.078 19459 67 1 1 . 1 1 14 14 THR C C 14 174.364 174.364 176.133 -1.769 19459 68 1 1 . 1 1 14 14 THR CA C 14 63.180 63.180 65.024 -1.844 19459 69 1 1 . 1 1 14 14 THR CB C 14 68.154 68.154 68.870 -0.716 19459 70 1 1 . 1 1 14 14 THR H H 14 8.062 8.062 8.301 -0.239 19459 71 1 1 . 1 1 15 15 GLN N N 15 119.736 119.736 118.357 1.379 19459 72 1 1 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.433 0.068 19459 73 1 1 . 1 1 15 15 GLN C C 15 174.815 174.815 176.612 -1.797 19459 74 1 1 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.782 -2.415 19459 75 1 1 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.917 2.199 19459 76 1 1 . 1 1 15 15 GLN H H 15 7.758 7.758 8.354 -0.596 19459 77 1 1 . 1 1 16 16 LEU N N 16 124.583 124.583 118.418 6.165 19459 78 1 1 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.214 0.147 19459 79 1 1 . 1 1 16 16 LEU C C 16 172.167 172.167 176.806 -4.639 19459 80 1 1 . 1 1 16 16 LEU CA C 16 55.297 55.297 55.667 -0.370 19459 81 1 1 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.906 0.128 19459 82 1 1 . 1 1 16 16 LEU H H 16 8.458 8.458 7.209 1.249 19459 83 1 1 . 1 1 17 17 THR N N 17 116.730 116.730 112.932 3.798 19459 84 1 1 . 1 1 17 17 THR HA H 17 4.633 4.633 3.908 0.725 19459 85 1 1 . 1 1 17 17 THR C C 17 175.703 175.703 175.014 0.689 19459 86 1 1 . 1 1 17 17 THR CA C 17 60.358 60.358 65.156 -4.798 19459 87 1 1 . 1 1 17 17 THR CB C 17 70.110 70.110 68.847 1.263 19459 88 1 1 . 1 1 17 17 THR H H 17 8.325 8.325 7.678 0.647 19459 89 1 1 . 1 1 18 18 ASP N N 18 122.839 122.839 116.992 5.847 19459 90 1 1 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.872 -0.130 19459 91 1 1 . 1 1 18 18 ASP C C 18 173.642 173.642 176.311 -2.669 19459 92 1 1 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.743 -1.530 19459 93 1 1 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.666 -1.744 19459 94 1 1 . 1 1 18 18 ASP H H 18 8.487 8.487 7.947 0.540 19459 95 1 1 . 1 1 19 19 GLU N N 19 120.523 120.523 118.493 2.030 19459 96 1 1 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.379 -0.306 19459 97 1 1 . 1 1 19 19 GLU C C 19 174.249 174.249 177.730 -3.481 19459 98 1 1 . 1 1 19 19 GLU CA C 19 56.150 56.150 56.955 -0.805 19459 99 1 1 . 1 1 19 19 GLU CB C 19 29.343 29.343 31.134 -1.791 19459 100 1 1 . 1 1 19 19 GLU H H 19 7.931 7.931 7.663 0.268 19459 101 1 1 . 1 1 20 20 PHE N N 20 118.500 118.500 114.468 4.032 19459 102 1 1 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.164 0.582 19459 103 1 1 . 1 1 20 20 PHE C C 20 174.885 174.885 174.454 0.431 19459 104 1 1 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.509 -3.995 19459 105 1 1 . 1 1 20 20 PHE CB C 20 40.483 40.483 38.171 2.312 19459 106 1 1 . 1 1 20 20 PHE H H 20 8.279 8.279 8.163 0.116 19459 107 1 1 . 1 1 21 21 GLU N N 21 117.080 117.080 118.964 -1.884 19459 108 1 1 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.639 0.371 19459 109 1 1 . 1 1 21 21 GLU C C 21 174.900 174.900 174.919 -0.019 19459 110 1 1 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.186 -0.913 19459 111 1 1 . 1 1 21 21 GLU CB C 21 31.373 31.373 32.019 -0.646 19459 112 1 1 . 1 1 21 21 GLU H H 21 7.022 7.022 7.710 -0.688 19459 113 1 1 . 1 1 22 22 PHE N N 22 119.655 119.655 120.010 -0.355 19459 114 1 1 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.927 0.042 19459 115 1 1 . 1 1 22 22 PHE C C 22 176.708 176.708 173.180 3.528 19459 116 1 1 . 1 1 22 22 PHE CA C 22 54.776 54.776 54.675 0.101 19459 117 1 1 . 1 1 22 22 PHE CB C 22 41.746 41.746 41.671 0.075 19459 118 1 1 . 1 1 22 22 PHE H H 22 8.974 8.974 8.347 0.627 19459 119 1 1 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.702 -0.114 19459 120 1 1 . 1 1 23 23 PRO C C 23 171.163 171.163 176.963 -5.800 19459 121 1 1 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.248 0.169 19459 122 1 1 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.314 0.341 19459 123 1 1 . 1 1 24 24 ILE N N 24 123.238 123.238 121.412 1.826 19459 124 1 1 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.885 -0.475 19459 125 1 1 . 1 1 24 24 ILE C C 24 172.283 172.283 177.768 -5.485 19459 126 1 1 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.924 1.122 19459 127 1 1 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.831 -0.382 19459 128 1 1 . 1 1 24 24 ILE H H 24 8.199 8.199 8.536 -0.337 19459 129 1 1 . 1 1 25 25 GLY N N 25 115.962 115.962 115.126 0.836 19459 130 1 1 . 1 1 25 25 GLY C C 25 174.927 174.927 173.873 1.054 19459 131 1 1 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.896 -0.473 19459 132 1 1 . 1 1 25 25 GLY H H 25 9.061 9.061 8.525 0.536 19459 133 1 1 . 1 1 26 26 THR N N 26 117.152 117.152 117.648 -0.496 19459 134 1 1 . 1 1 26 26 THR HA H 26 4.081 4.081 4.638 -0.557 19459 135 1 1 . 1 1 26 26 THR C C 26 176.723 176.723 173.401 3.322 19459 136 1 1 . 1 1 26 26 THR CA C 26 65.711 65.711 61.581 4.130 19459 137 1 1 . 1 1 26 26 THR CB C 26 70.084 70.084 70.546 -0.462 19459 138 1 1 . 1 1 26 26 THR H H 26 7.704 7.704 7.374 0.330 19459 139 1 1 . 1 1 27 27 TYR N N 27 125.094 125.094 126.073 -0.979 19459 140 1 1 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.563 1.229 19459 141 1 1 . 1 1 27 27 TYR C C 27 173.835 173.835 175.414 -1.579 19459 142 1 1 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.150 -2.287 19459 143 1 1 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.574 1.302 19459 144 1 1 . 1 1 27 27 TYR H H 27 8.542 8.542 8.807 -0.265 19459 145 1 1 . 1 1 28 28 LEU N N 28 120.714 120.714 123.487 -2.773 19459 146 1 1 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.644 0.140 19459 147 1 1 . 1 1 28 28 LEU C C 28 172.808 172.808 175.975 -3.167 19459 148 1 1 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.154 0.029 19459 149 1 1 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.378 0.560 19459 150 1 1 . 1 1 28 28 LEU H H 28 9.000 9.000 7.856 1.144 19459 151 1 1 . 1 1 29 29 ASN N N 29 121.617 121.617 120.004 1.613 19459 152 1 1 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.723 0.177 19459 153 1 1 . 1 1 29 29 ASN C C 29 174.783 174.783 173.970 0.813 19459 154 1 1 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.532 1.700 19459 155 1 1 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.481 0.710 19459 156 1 1 . 1 1 29 29 ASN H H 29 8.544 8.544 8.609 -0.065 19459 157 1 1 . 1 1 30 30 TYR N N 30 126.738 126.738 123.792 2.946 19459 158 1 1 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.625 0.061 19459 159 1 1 . 1 1 30 30 TYR C C 30 174.911 174.911 175.244 -0.333 19459 160 1 1 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.236 -0.335 19459 161 1 1 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.688 4.154 19459 162 1 1 . 1 1 30 30 TYR H H 30 9.324 9.324 7.871 1.453 19459 163 1 1 . 1 1 31 31 GLU N N 31 114.116 114.116 122.191 -8.075 19459 164 1 1 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.654 0.056 19459 165 1 1 . 1 1 31 31 GLU C C 31 173.694 173.694 174.483 -0.789 19459 166 1 1 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.835 -1.716 19459 167 1 1 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.822 -1.196 19459 168 1 1 . 1 1 31 31 GLU H H 31 8.553 8.553 8.458 0.095 19459 169 1 1 . 1 1 32 32 CYS N N 32 121.086 121.086 122.577 -1.491 19459 170 1 1 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.009 0.042 19459 171 1 1 . 1 1 32 32 CYS C C 32 173.553 173.553 175.102 -1.549 19459 172 1 1 . 1 1 32 32 CYS CA C 32 54.480 54.480 59.206 -4.726 19459 173 1 1 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.123 10.364 19459 174 1 1 . 1 1 32 32 CYS H H 32 9.784 9.784 8.961 0.823 19459 175 1 1 . 1 1 33 33 ARG N N 33 123.418 123.418 124.826 -1.408 19459 176 1 1 . 1 1 33 33 ARG C C 33 176.822 176.822 175.502 1.320 19459 177 1 1 . 1 1 33 33 ARG CA C 33 56.311 56.311 56.567 -0.256 19459 178 1 1 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.784 -0.441 19459 179 1 1 . 1 1 33 33 ARG H H 33 7.898 7.898 8.792 -0.894 19459 180 1 1 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.595 -0.215 19459 181 1 1 . 1 1 34 34 PRO CA C 34 64.055 64.055 62.486 1.569 19459 182 1 1 . 1 1 34 34 PRO CB C 34 31.335 31.335 30.095 1.240 19459 183 1 1 . 1 1 35 35 GLY N N 35 111.039 111.039 107.774 3.265 19459 184 1 1 . 1 1 35 35 GLY C C 35 177.546 177.546 173.846 3.700 19459 185 1 1 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.996 -1.097 19459 186 1 1 . 1 1 35 35 GLY H H 35 8.378 8.378 8.300 0.078 19459 187 1 1 . 1 1 36 36 TYR N N 36 116.682 116.682 118.592 -1.910 19459 188 1 1 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.502 0.519 19459 189 1 1 . 1 1 36 36 TYR C C 36 174.005 174.005 176.365 -2.360 19459 190 1 1 . 1 1 36 36 TYR CA C 36 56.495 56.495 57.814 -1.319 19459 191 1 1 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.563 2.418 19459 192 1 1 . 1 1 36 36 TYR H H 36 8.175 8.175 7.701 0.474 19459 193 1 1 . 1 1 37 37 SER N N 37 115.855 115.855 118.598 -2.743 19459 194 1 1 . 1 1 37 37 SER HA H 37 4.819 4.819 4.248 0.571 19459 195 1 1 . 1 1 37 37 SER C C 37 175.442 175.442 175.600 -0.158 19459 196 1 1 . 1 1 37 37 SER CA C 37 56.534 56.534 59.791 -3.257 19459 197 1 1 . 1 1 37 37 SER CB C 37 65.642 65.642 63.689 1.953 19459 198 1 1 . 1 1 37 37 SER H H 37 9.711 9.711 8.121 1.590 19459 199 1 1 . 1 1 38 38 GLY N N 38 113.435 113.435 109.747 3.688 19459 200 1 1 . 1 1 38 38 GLY C C 38 175.876 175.876 174.291 1.585 19459 201 1 1 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.702 0.566 19459 202 1 1 . 1 1 38 38 GLY H H 38 8.288 8.288 7.756 0.532 19459 203 1 1 . 1 1 39 39 ARG N N 39 124.199 124.199 121.914 2.285 19459 204 1 1 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.638 0.101 19459 205 1 1 . 1 1 39 39 ARG C C 39 175.413 175.413 175.003 0.410 19459 206 1 1 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.442 2.298 19459 207 1 1 . 1 1 39 39 ARG CB C 39 29.634 29.634 29.537 0.097 19459 208 1 1 . 1 1 39 39 ARG H H 39 8.350 8.350 8.476 -0.126 19459 209 1 1 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.493 0.165 19459 210 1 1 . 1 1 40 40 PRO C C 40 173.702 173.702 175.785 -2.083 19459 211 1 1 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.443 1.027 19459 212 1 1 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.168 0.020 19459 213 1 1 . 1 1 41 41 PHE N N 41 118.388 118.388 121.171 -2.783 19459 214 1 1 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.742 0.421 19459 215 1 1 . 1 1 41 41 PHE C C 41 176.886 176.886 173.613 3.273 19459 216 1 1 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.053 -0.487 19459 217 1 1 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.192 -0.928 19459 218 1 1 . 1 1 41 41 PHE H H 41 8.017 8.017 8.053 -0.036 19459 219 1 1 . 1 1 42 42 SER N N 42 114.056 114.056 117.362 -3.306 19459 220 1 1 . 1 1 42 42 SER HA H 42 5.771 5.771 4.806 0.965 19459 221 1 1 . 1 1 42 42 SER C C 42 174.978 174.978 173.532 1.446 19459 222 1 1 . 1 1 42 42 SER CA C 42 56.668 56.668 58.017 -1.349 19459 223 1 1 . 1 1 42 42 SER CB C 42 66.152 66.152 63.749 2.403 19459 224 1 1 . 1 1 42 42 SER H H 42 8.540 8.540 7.390 1.150 19459 225 1 1 . 1 1 43 43 ILE N N 43 115.669 115.669 118.410 -2.741 19459 226 1 1 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.373 0.692 19459 227 1 1 . 1 1 43 43 ILE C C 43 174.535 174.535 174.798 -0.263 19459 228 1 1 . 1 1 43 43 ILE CA C 43 60.044 60.044 59.884 0.160 19459 229 1 1 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.875 1.480 19459 230 1 1 . 1 1 43 43 ILE H H 43 8.637 8.637 7.512 1.125 19459 231 1 1 . 1 1 44 44 ILE N N 44 120.215 120.215 125.980 -5.765 19459 232 1 1 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.986 0.300 19459 233 1 1 . 1 1 44 44 ILE C C 44 174.033 174.033 176.288 -2.255 19459 234 1 1 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.912 0.744 19459 235 1 1 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.416 1.914 19459 236 1 1 . 1 1 44 44 ILE H H 44 8.687 8.687 7.759 0.928 19459 237 1 1 . 1 1 45 45 CYS N N 45 126.257 126.257 127.423 -1.166 19459 238 1 1 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.165 -0.413 19459 239 1 1 . 1 1 45 45 CYS C C 45 174.946 174.946 175.308 -0.362 19459 240 1 1 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.396 -5.330 19459 241 1 1 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.230 14.381 19459 242 1 1 . 1 1 45 45 CYS H H 45 7.993 7.993 8.775 -0.782 19459 243 1 1 . 1 1 46 46 LEU N N 46 132.514 132.514 125.720 6.794 19459 244 1 1 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.456 -0.040 19459 245 1 1 . 1 1 46 46 LEU C C 46 172.195 172.195 176.802 -4.607 19459 246 1 1 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.295 -0.951 19459 247 1 1 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.728 1.476 19459 248 1 1 . 1 1 46 46 LEU H H 46 8.826 8.826 8.013 0.813 19459 249 1 1 . 1 1 47 47 LYS N N 47 115.254 115.254 120.035 -4.781 19459 250 1 1 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.460 -0.472 19459 251 1 1 . 1 1 47 47 LYS C C 47 173.781 173.781 175.851 -2.070 19459 252 1 1 . 1 1 47 47 LYS CA C 47 57.983 57.983 54.790 3.193 19459 253 1 1 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.646 -1.438 19459 254 1 1 . 1 1 47 47 LYS H H 47 7.949 7.949 7.741 0.208 19459 255 1 1 . 1 1 48 48 ASN N N 48 115.283 115.283 122.483 -7.200 19459 256 1 1 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.335 0.201 19459 257 1 1 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.078 -0.538 19459 258 1 1 . 1 1 48 48 ASN CB C 48 36.372 36.372 36.860 -0.488 19459 259 1 1 . 1 1 48 48 ASN H H 48 8.432 8.432 9.279 -0.847 19459 260 1 1 . 1 1 49 49 SER N N 49 110.595 110.595 106.584 4.011 19459 261 1 1 . 1 1 49 49 SER HA H 49 3.969 3.969 3.881 0.088 19459 262 1 1 . 1 1 49 49 SER CA C 49 59.790 59.790 58.914 0.876 19459 263 1 1 . 1 1 49 49 SER CB C 49 60.870 60.870 62.361 -1.491 19459 264 1 1 . 1 1 49 49 SER H H 49 8.457 8.457 8.348 0.109 19459 265 1 1 . 1 1 50 50 VAL N N 50 117.680 117.680 116.620 1.060 19459 266 1 1 . 1 1 50 50 VAL HA H 50 4.333 4.333 4.046 0.287 19459 267 1 1 . 1 1 50 50 VAL C C 50 175.347 175.347 174.755 0.592 19459 268 1 1 . 1 1 50 50 VAL CA C 50 59.884 59.884 59.833 0.051 19459 269 1 1 . 1 1 50 50 VAL CB C 50 34.837 34.837 35.517 -0.680 19459 270 1 1 . 1 1 50 50 VAL H H 50 6.840 6.840 7.364 -0.523 19459 271 1 1 . 1 1 51 51 TRP N N 51 123.510 123.510 122.675 0.835 19459 272 1 1 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.044 0.278 19459 273 1 1 . 1 1 51 51 TRP C C 51 170.736 170.736 178.071 -7.335 19459 274 1 1 . 1 1 51 51 TRP CA C 51 55.937 55.937 57.018 -1.081 19459 275 1 1 . 1 1 51 51 TRP CB C 51 30.791 30.791 30.288 0.503 19459 276 1 1 . 1 1 51 51 TRP H H 51 8.310 8.310 8.371 -0.061 19459 277 1 1 . 1 1 52 52 THR N N 52 115.962 115.962 114.542 1.420 19459 278 1 1 . 1 1 52 52 THR HA H 52 4.656 4.656 4.126 0.530 19459 279 1 1 . 1 1 52 52 THR C C 52 175.780 175.780 175.535 0.245 19459 280 1 1 . 1 1 52 52 THR CA C 52 61.376 61.376 63.847 -2.471 19459 281 1 1 . 1 1 52 52 THR CB C 52 70.723 70.723 69.240 1.482 19459 282 1 1 . 1 1 52 52 THR H H 52 9.026 9.026 8.375 0.651 19459 283 1 1 . 1 1 53 53 GLY N N 53 108.521 108.521 108.961 -0.440 19459 284 1 1 . 1 1 53 53 GLY C C 53 174.881 174.881 173.252 1.629 19459 285 1 1 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.595 0.749 19459 286 1 1 . 1 1 53 53 GLY H H 53 8.292 8.292 7.690 0.602 19459 287 1 1 . 1 1 54 54 ALA N N 54 121.857 121.857 124.031 -2.174 19459 288 1 1 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.247 -0.094 19459 289 1 1 . 1 1 54 54 ALA C C 54 172.786 172.786 177.410 -4.624 19459 290 1 1 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.221 -0.524 19459 291 1 1 . 1 1 54 54 ALA CB C 54 19.714 19.714 19.012 0.703 19459 292 1 1 . 1 1 54 54 ALA H H 54 8.443 8.443 8.243 0.200 19459 293 1 1 . 1 1 55 55 LYS N N 55 118.318 118.318 120.119 -1.801 19459 294 1 1 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.094 -0.350 19459 295 1 1 . 1 1 55 55 LYS C C 55 172.519 172.519 176.308 -3.789 19459 296 1 1 . 1 1 55 55 LYS CA C 55 57.944 57.944 57.157 0.787 19459 297 1 1 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.743 -0.111 19459 298 1 1 . 1 1 55 55 LYS H H 55 7.612 7.612 7.732 -0.120 19459 299 1 1 . 1 1 56 56 ASP N N 56 119.214 119.214 120.023 -0.809 19459 300 1 1 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.517 -0.400 19459 301 1 1 . 1 1 56 56 ASP C C 56 173.700 173.700 176.826 -3.126 19459 302 1 1 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.846 -0.462 19459 303 1 1 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.546 -0.376 19459 304 1 1 . 1 1 56 56 ASP H H 56 8.555 8.555 8.857 -0.302 19459 305 1 1 . 1 1 57 57 ARG N N 57 116.006 116.006 117.497 -1.491 19459 306 1 1 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.150 -0.270 19459 307 1 1 . 1 1 57 57 ARG C C 57 171.638 171.638 176.179 -4.541 19459 308 1 1 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.960 -2.033 19459 309 1 1 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.611 1.546 19459 310 1 1 . 1 1 57 57 ARG H H 57 7.352 7.352 8.021 -0.669 19459 311 1 1 . 1 1 58 58 CYS N N 58 115.000 115.000 114.446 0.554 19459 312 1 1 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.688 0.886 19459 313 1 1 . 1 1 58 58 CYS C C 58 175.576 175.576 173.507 2.069 19459 314 1 1 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.791 -4.939 19459 315 1 1 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.813 14.763 19459 316 1 1 . 1 1 58 58 CYS H H 58 7.587 7.587 8.063 -0.476 19459 317 1 1 . 1 1 59 59 ARG N N 59 123.440 123.440 120.327 3.113 19459 318 1 1 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.415 0.345 19459 319 1 1 . 1 1 59 59 ARG C C 59 173.566 173.566 174.971 -1.405 19459 320 1 1 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.310 -0.071 19459 321 1 1 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.539 -0.737 19459 322 1 1 . 1 1 59 59 ARG H H 59 8.984 8.984 8.498 0.486 19459 323 1 1 . 1 1 60 60 ARG N N 60 125.644 125.644 123.862 1.782 19459 324 1 1 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.077 -0.426 19459 325 1 1 . 1 1 60 60 ARG C C 60 172.119 172.119 175.078 -2.959 19459 326 1 1 . 1 1 60 60 ARG CA C 60 58.298 58.298 56.554 1.744 19459 327 1 1 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.072 0.196 19459 328 1 1 . 1 1 60 60 ARG H H 60 9.163 9.163 8.577 0.586 19459 329 1 1 . 1 1 61 61 LYS N N 61 124.217 124.217 124.721 -0.504 19459 330 1 1 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.318 -0.201 19459 331 1 1 . 1 1 61 61 LYS C C 61 173.791 173.791 176.004 -2.213 19459 332 1 1 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.740 2.458 19459 333 1 1 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.212 1.002 19459 334 1 1 . 1 1 61 61 LYS H H 61 8.601 8.601 8.265 0.336 19459 335 1 1 . 1 1 62 62 SER N N 62 114.120 114.120 118.192 -4.072 19459 336 1 1 . 1 1 62 62 SER HA H 62 4.765 4.765 4.477 0.288 19459 337 1 1 . 1 1 62 62 SER C C 62 175.019 175.019 174.752 0.267 19459 338 1 1 . 1 1 62 62 SER CA C 62 58.227 58.227 59.408 -1.181 19459 339 1 1 . 1 1 62 62 SER CB C 62 65.387 65.387 63.958 1.429 19459 340 1 1 . 1 1 62 62 SER H H 62 8.494 8.494 8.445 0.049 19459 341 1 1 . 1 1 63 63 CYS N N 63 122.858 122.858 121.416 1.442 19459 342 1 1 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.541 -0.473 19459 343 1 1 . 1 1 63 63 CYS C C 63 176.076 176.076 174.438 1.638 19459 344 1 1 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.676 2.591 19459 345 1 1 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.901 11.867 19459 346 1 1 . 1 1 63 63 CYS H H 63 8.359 8.359 8.166 0.193 19459 347 1 1 . 1 1 64 64 ARG N N 64 118.145 118.145 119.701 -1.556 19459 348 1 1 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.703 -0.537 19459 349 1 1 . 1 1 64 64 ARG C C 64 173.077 173.077 174.897 -1.820 19459 350 1 1 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.393 0.587 19459 351 1 1 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.528 -2.069 19459 352 1 1 . 1 1 64 64 ARG H H 64 8.496 8.496 8.745 -0.249 19459 353 1 1 . 1 1 65 65 ASN N N 65 122.302 122.302 118.864 3.438 19459 354 1 1 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.316 -0.582 19459 355 1 1 . 1 1 65 65 ASN C C 65 175.117 175.117 174.405 0.712 19459 356 1 1 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.586 0.526 19459 357 1 1 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.997 -1.630 19459 358 1 1 . 1 1 65 65 ASN H H 65 8.691 8.691 9.082 -0.391 19459 359 1 1 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.291 0.192 19459 360 1 1 . 1 1 67 67 PRO C C 67 172.228 172.228 176.743 -4.515 19459 361 1 1 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.376 -1.710 19459 362 1 1 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.812 0.675 19459 363 1 1 . 1 1 68 68 ASP N N 68 118.184 118.184 119.128 -0.944 19459 364 1 1 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.427 0.215 19459 365 1 1 . 1 1 68 68 ASP C C 68 173.951 173.951 174.468 -0.517 19459 366 1 1 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.353 -1.174 19459 367 1 1 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.917 0.582 19459 368 1 1 . 1 1 68 68 ASP H H 68 8.201 8.201 7.758 0.443 19459 369 1 1 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.469 -0.233 19459 370 1 1 . 1 1 69 69 PRO C C 69 172.350 172.350 177.503 -5.153 19459 371 1 1 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.336 -0.425 19459 372 1 1 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.082 -1.847 19459 373 1 1 . 1 1 70 70 VAL N N 70 125.745 125.745 121.029 4.716 19459 374 1 1 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.660 -0.001 19459 375 1 1 . 1 1 70 70 VAL C C 70 171.231 171.231 177.733 -6.502 19459 376 1 1 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.930 -0.266 19459 377 1 1 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.678 -0.827 19459 378 1 1 . 1 1 70 70 VAL H H 70 8.251 8.251 8.642 -0.391 19459 379 1 1 . 1 1 71 71 ASN N N 71 119.702 119.702 119.818 -0.116 19459 380 1 1 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.483 -0.482 19459 381 1 1 . 1 1 71 71 ASN C C 71 176.167 176.167 176.107 0.060 19459 382 1 1 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.726 0.794 19459 383 1 1 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.735 -2.493 19459 384 1 1 . 1 1 71 71 ASN H H 71 8.994 8.994 8.470 0.524 19459 385 1 1 . 1 1 72 72 GLY N N 72 104.254 104.254 106.032 -1.778 19459 386 1 1 . 1 1 72 72 GLY C C 72 177.732 177.732 173.283 4.449 19459 387 1 1 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.837 2.261 19459 388 1 1 . 1 1 72 72 GLY H H 72 7.637 7.637 8.125 -0.488 19459 389 1 1 . 1 1 73 73 MET N N 73 116.529 116.529 121.089 -4.560 19459 390 1 1 . 1 1 73 73 MET HA H 73 4.887 4.887 4.750 0.137 19459 391 1 1 . 1 1 73 73 MET C C 73 175.128 175.128 173.806 1.322 19459 392 1 1 . 1 1 73 73 MET CA C 73 54.890 54.890 54.905 -0.015 19459 393 1 1 . 1 1 73 73 MET CB C 73 36.837 36.837 33.617 3.220 19459 394 1 1 . 1 1 73 73 MET H H 73 8.819 8.819 7.758 1.061 19459 395 1 1 . 1 1 74 74 VAL N N 74 122.511 122.511 126.140 -3.629 19459 396 1 1 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.731 -0.128 19459 397 1 1 . 1 1 74 74 VAL C C 74 176.573 176.573 174.155 2.418 19459 398 1 1 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.016 -0.007 19459 399 1 1 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.487 0.015 19459 400 1 1 . 1 1 74 74 VAL H H 74 8.796 8.796 8.323 0.473 19459 401 1 1 . 1 1 75 75 HIS N N 75 125.200 125.200 126.048 -0.848 19459 402 1 1 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.880 -0.166 19459 403 1 1 . 1 1 75 75 HIS C C 75 175.500 175.500 173.777 1.723 19459 404 1 1 . 1 1 75 75 HIS CA C 75 53.685 53.685 53.858 -0.172 19459 405 1 1 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.123 -4.115 19459 406 1 1 . 1 1 75 75 HIS H H 75 8.977 8.977 8.472 0.505 19459 407 1 1 . 1 1 76 76 VAL N N 76 127.456 127.456 124.528 2.928 19459 408 1 1 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.177 -0.005 19459 409 1 1 . 1 1 76 76 VAL C C 76 173.257 173.257 175.429 -2.172 19459 410 1 1 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.093 1.105 19459 411 1 1 . 1 1 76 76 VAL CB C 76 31.340 31.340 31.699 -0.359 19459 412 1 1 . 1 1 76 76 VAL H H 76 8.926 8.926 8.704 0.222 19459 413 1 1 . 1 1 77 77 ILE N N 77 126.756 126.756 129.176 -2.420 19459 414 1 1 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.810 0.341 19459 415 1 1 . 1 1 77 77 ILE C C 77 172.744 172.744 177.029 -4.285 19459 416 1 1 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.967 -1.033 19459 417 1 1 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.227 0.945 19459 418 1 1 . 1 1 77 77 ILE H H 77 7.978 7.978 8.506 -0.528 19459 419 1 1 . 1 1 78 78 LYS N N 78 123.427 123.427 116.647 6.780 19459 420 1 1 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.512 0.065 19459 421 1 1 . 1 1 78 78 LYS C C 78 172.800 172.800 176.627 -3.827 19459 422 1 1 . 1 1 78 78 LYS CA C 78 55.383 55.383 56.185 -0.802 19459 423 1 1 . 1 1 78 78 LYS CB C 78 32.852 32.852 34.691 -1.839 19459 424 1 1 . 1 1 78 78 LYS H H 78 9.415 9.415 7.712 1.703 19459 425 1 1 . 1 1 79 79 GLY N N 79 108.777 108.777 107.196 1.581 19459 426 1 1 . 1 1 79 79 GLY C C 79 176.221 176.221 173.197 3.024 19459 427 1 1 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.020 -0.138 19459 428 1 1 . 1 1 79 79 GLY H H 79 7.857 7.857 7.534 0.323 19459 429 1 1 . 1 1 80 80 ILE N N 80 109.131 109.131 117.994 -8.863 19459 430 1 1 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.406 0.552 19459 431 1 1 . 1 1 80 80 ILE C C 80 174.883 174.883 176.354 -1.471 19459 432 1 1 . 1 1 80 80 ILE CA C 80 60.657 60.657 62.387 -1.730 19459 433 1 1 . 1 1 80 80 ILE CB C 80 38.711 38.711 38.008 0.703 19459 434 1 1 . 1 1 80 80 ILE H H 80 8.076 8.076 8.417 -0.341 19459 435 1 1 . 1 1 81 81 GLN N N 81 116.732 116.732 117.654 -0.922 19459 436 1 1 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.154 0.512 19459 437 1 1 . 1 1 81 81 GLN C C 81 172.989 172.989 175.737 -2.748 19459 438 1 1 . 1 1 81 81 GLN CA C 81 55.501 55.501 55.712 -0.211 19459 439 1 1 . 1 1 81 81 GLN CB C 81 30.674 30.674 29.481 1.193 19459 440 1 1 . 1 1 81 81 GLN H H 81 7.682 7.682 7.588 0.094 19459 441 1 1 . 1 1 82 82 PHE N N 82 119.773 119.773 120.502 -0.729 19459 442 1 1 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.159 -0.279 19459 443 1 1 . 1 1 82 82 PHE C C 82 173.680 173.680 177.034 -3.354 19459 444 1 1 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.128 -0.443 19459 445 1 1 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.191 0.928 19459 446 1 1 . 1 1 82 82 PHE H H 82 8.615 8.615 8.686 -0.071 19459 447 1 1 . 1 1 83 83 GLY N N 83 119.507 119.507 116.217 3.290 19459 448 1 1 . 1 1 83 83 GLY C C 83 174.662 174.662 174.169 0.493 19459 449 1 1 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.815 -0.324 19459 450 1 1 . 1 1 83 83 GLY H H 83 9.086 9.086 8.723 0.363 19459 451 1 1 . 1 1 84 84 SER N N 84 118.128 118.128 116.811 1.317 19459 452 1 1 . 1 1 84 84 SER HA H 84 4.415 4.415 4.706 -0.291 19459 453 1 1 . 1 1 84 84 SER C C 84 177.247 177.247 172.914 4.333 19459 454 1 1 . 1 1 84 84 SER CA C 84 60.111 60.111 58.007 2.104 19459 455 1 1 . 1 1 84 84 SER CB C 84 64.281 64.281 65.070 -0.789 19459 456 1 1 . 1 1 84 84 SER H H 84 8.573 8.573 7.642 0.931 19459 457 1 1 . 1 1 85 85 GLN N N 85 119.913 119.913 119.902 0.011 19459 458 1 1 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.713 0.106 19459 459 1 1 . 1 1 85 85 GLN C C 85 172.795 172.795 174.319 -1.524 19459 460 1 1 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.541 -0.376 19459 461 1 1 . 1 1 85 85 GLN CB C 85 32.744 32.744 33.117 -0.373 19459 462 1 1 . 1 1 85 85 GLN H H 85 8.211 8.211 8.384 -0.173 19459 463 1 1 . 1 1 86 86 ILE N N 86 119.724 119.724 117.043 2.681 19459 464 1 1 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.201 -0.444 19459 465 1 1 . 1 1 86 86 ILE C C 86 174.969 174.969 173.519 1.450 19459 466 1 1 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.528 1.299 19459 467 1 1 . 1 1 86 86 ILE CB C 86 40.794 40.794 42.017 -1.224 19459 468 1 1 . 1 1 86 86 ILE H H 86 9.215 9.215 8.969 0.246 19459 469 1 1 . 1 1 87 87 LYS N N 87 117.135 117.135 119.656 -2.521 19459 470 1 1 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.052 0.183 19459 471 1 1 . 1 1 87 87 LYS C C 87 174.599 174.599 175.514 -0.915 19459 472 1 1 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.060 -0.347 19459 473 1 1 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.967 1.860 19459 474 1 1 . 1 1 87 87 LYS H H 87 7.600 7.600 8.727 -1.127 19459 475 1 1 . 1 1 88 88 TYR N N 88 119.004 119.004 125.424 -6.420 19459 476 1 1 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.723 0.699 19459 477 1 1 . 1 1 88 88 TYR C C 88 174.407 174.407 174.869 -0.462 19459 478 1 1 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.329 -0.394 19459 479 1 1 . 1 1 88 88 TYR CB C 88 43.959 43.959 39.079 4.880 19459 480 1 1 . 1 1 88 88 TYR H H 88 8.601 8.601 9.359 -0.758 19459 481 1 1 . 1 1 89 89 SER N N 89 113.228 113.228 117.743 -4.515 19459 482 1 1 . 1 1 89 89 SER HA H 89 4.668 4.668 5.074 -0.406 19459 483 1 1 . 1 1 89 89 SER C C 89 177.136 177.136 173.860 3.276 19459 484 1 1 . 1 1 89 89 SER CA C 89 57.291 57.291 57.049 0.242 19459 485 1 1 . 1 1 89 89 SER CB C 89 66.534 66.534 64.519 2.015 19459 486 1 1 . 1 1 89 89 SER H H 89 9.007 9.007 7.707 1.300 19459 487 1 1 . 1 1 90 90 CYS N N 90 116.009 116.009 122.669 -6.660 19459 488 1 1 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.256 1.165 19459 489 1 1 . 1 1 90 90 CYS C C 90 173.812 173.812 173.876 -0.064 19459 490 1 1 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.937 -5.853 19459 491 1 1 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.171 14.233 19459 492 1 1 . 1 1 90 90 CYS H H 90 8.806 8.806 8.131 0.675 19459 493 1 1 . 1 1 91 91 THR N N 91 120.813 120.813 111.010 9.803 19459 494 1 1 . 1 1 91 91 THR HA H 91 3.994 3.994 4.427 -0.433 19459 495 1 1 . 1 1 91 91 THR C C 91 176.445 176.445 174.862 1.583 19459 496 1 1 . 1 1 91 91 THR CA C 91 63.440 63.440 60.981 2.459 19459 497 1 1 . 1 1 91 91 THR CB C 91 69.608 69.608 71.994 -2.386 19459 498 1 1 . 1 1 91 91 THR H H 91 8.737 8.737 6.540 2.197 19459 499 1 1 . 1 1 92 92 LYS N N 92 124.963 124.963 124.655 0.308 19459 500 1 1 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.281 -0.177 19459 501 1 1 . 1 1 92 92 LYS C C 92 172.310 172.310 178.099 -5.789 19459 502 1 1 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.013 0.874 19459 503 1 1 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.840 -0.702 19459 504 1 1 . 1 1 92 92 LYS H H 92 8.325 8.325 8.569 -0.244 19459 505 1 1 . 1 1 93 93 GLY N N 93 113.608 113.608 108.178 5.430 19459 506 1 1 . 1 1 93 93 GLY C C 93 175.127 175.127 173.083 2.044 19459 507 1 1 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.467 0.244 19459 508 1 1 . 1 1 93 93 GLY H H 93 8.827 8.827 8.057 0.770 19459 509 1 1 . 1 1 94 94 TYR N N 94 119.900 119.900 121.200 -1.300 19459 510 1 1 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.783 -0.141 19459 511 1 1 . 1 1 94 94 TYR C C 94 174.548 174.548 173.097 1.451 19459 512 1 1 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.488 0.670 19459 513 1 1 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.757 0.437 19459 514 1 1 . 1 1 94 94 TYR H H 94 8.281 8.281 7.564 0.717 19459 515 1 1 . 1 1 95 95 ARG N N 95 122.431 122.431 119.847 2.584 19459 516 1 1 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.202 0.326 19459 517 1 1 . 1 1 95 95 ARG C C 95 175.179 175.179 173.675 1.504 19459 518 1 1 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.499 0.054 19459 519 1 1 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.807 -0.606 19459 520 1 1 . 1 1 95 95 ARG H H 95 9.608 9.608 8.208 1.400 19459 521 1 1 . 1 1 96 96 LEU N N 96 125.652 125.652 123.791 1.861 19459 522 1 1 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.660 0.002 19459 523 1 1 . 1 1 96 96 LEU C C 96 172.420 172.420 176.197 -3.777 19459 524 1 1 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.734 2.769 19459 525 1 1 . 1 1 96 96 LEU CB C 96 42.806 42.806 44.104 -1.298 19459 526 1 1 . 1 1 96 96 LEU H H 96 8.231 8.231 8.382 -0.151 19459 527 1 1 . 1 1 97 97 ILE N N 97 131.597 131.597 125.296 6.301 19459 528 1 1 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.886 0.354 19459 529 1 1 . 1 1 97 97 ILE C C 97 174.158 174.158 176.786 -2.628 19459 530 1 1 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.802 -0.633 19459 531 1 1 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.788 0.015 19459 532 1 1 . 1 1 97 97 ILE H H 97 9.661 9.661 8.616 1.045 19459 533 1 1 . 1 1 98 98 GLY N N 98 116.731 116.731 107.237 9.494 19459 534 1 1 . 1 1 98 98 GLY C C 98 176.923 176.923 173.968 2.955 19459 535 1 1 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.004 -0.940 19459 536 1 1 . 1 1 98 98 GLY H H 98 8.465 8.465 7.675 0.790 19459 537 1 1 . 1 1 99 99 SER N N 99 116.632 116.632 115.785 0.847 19459 538 1 1 . 1 1 99 99 SER HA H 99 4.509 4.509 4.477 0.032 19459 539 1 1 . 1 1 99 99 SER C C 99 175.013 175.013 175.029 -0.016 19459 540 1 1 . 1 1 99 99 SER CA C 99 58.328 58.328 58.050 0.278 19459 541 1 1 . 1 1 99 99 SER CB C 99 63.996 63.996 62.596 1.400 19459 542 1 1 . 1 1 99 99 SER H H 99 8.759 8.759 8.529 0.230 19459 543 1 1 . 1 1 100 100 SER N N 100 116.696 116.696 123.036 -6.340 19459 544 1 1 . 1 1 100 100 SER HA H 100 4.447 4.447 4.327 0.120 19459 545 1 1 . 1 1 100 100 SER C C 100 175.403 175.403 174.016 1.387 19459 546 1 1 . 1 1 100 100 SER CA C 100 59.209 59.209 60.928 -1.719 19459 547 1 1 . 1 1 100 100 SER CB C 100 64.035 64.035 63.886 0.149 19459 548 1 1 . 1 1 100 100 SER H H 100 8.617 8.617 7.959 0.658 19459 549 1 1 . 1 1 101 101 SER N N 101 115.247 115.247 114.975 0.272 19459 550 1 1 . 1 1 101 101 SER HA H 101 5.346 5.346 5.321 0.025 19459 551 1 1 . 1 1 101 101 SER C C 101 176.888 176.888 173.913 2.975 19459 552 1 1 . 1 1 101 101 SER CA C 101 57.021 57.021 55.993 1.028 19459 553 1 1 . 1 1 101 101 SER CB C 101 66.391 66.391 64.044 2.347 19459 554 1 1 . 1 1 101 101 SER H H 101 7.952 7.952 7.768 0.184 19459 555 1 1 . 1 1 102 102 ALA N N 102 121.438 121.438 128.841 -7.403 19459 556 1 1 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.174 -0.087 19459 557 1 1 . 1 1 102 102 ALA C C 102 173.807 173.807 177.360 -3.553 19459 558 1 1 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.740 0.083 19459 559 1 1 . 1 1 102 102 ALA CB C 102 24.071 24.071 20.022 4.049 19459 560 1 1 . 1 1 102 102 ALA H H 102 8.286 8.286 8.522 -0.236 19459 561 1 1 . 1 1 103 103 THR N N 103 118.007 118.007 119.592 -1.585 19459 562 1 1 . 1 1 103 103 THR HA H 103 5.560 5.560 5.249 0.311 19459 563 1 1 . 1 1 103 103 THR C C 103 176.159 176.159 173.748 2.411 19459 564 1 1 . 1 1 103 103 THR CA C 103 61.342 61.342 62.113 -0.771 19459 565 1 1 . 1 1 103 103 THR CB C 103 71.171 71.171 71.349 -0.178 19459 566 1 1 . 1 1 103 103 THR H H 103 9.636 9.636 9.150 0.486 19459 567 1 1 . 1 1 104 104 CYS N N 104 127.602 127.602 129.153 -1.551 19459 568 1 1 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.087 -0.721 19459 569 1 1 . 1 1 104 104 CYS C C 104 174.892 174.892 173.496 1.396 19459 570 1 1 . 1 1 104 104 CYS CA C 104 55.479 55.479 56.960 -1.481 19459 571 1 1 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.651 12.534 19459 572 1 1 . 1 1 104 104 CYS H H 104 8.338 8.338 8.342 -0.004 19459 573 1 1 . 1 1 105 105 ILE N N 105 126.775 126.775 123.677 3.098 19459 574 1 1 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.205 -0.296 19459 575 1 1 . 1 1 105 105 ILE C C 105 174.390 174.390 173.689 0.701 19459 576 1 1 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.136 1.085 19459 577 1 1 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.847 0.675 19459 578 1 1 . 1 1 105 105 ILE H H 105 9.375 9.375 9.151 0.224 19459 579 1 1 . 1 1 106 106 ILE N N 106 118.256 118.256 120.997 -2.741 19459 580 1 1 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.103 -0.033 19459 581 1 1 . 1 1 106 106 ILE C C 106 172.560 172.560 177.117 -4.557 19459 582 1 1 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.163 1.726 19459 583 1 1 . 1 1 106 106 ILE CB C 106 39.685 39.685 35.554 4.131 19459 584 1 1 . 1 1 106 106 ILE H H 106 8.041 8.041 8.539 -0.498 19459 585 1 1 . 1 1 107 107 SER N N 107 120.167 120.167 122.947 -2.780 19459 586 1 1 . 1 1 107 107 SER HA H 107 4.376 4.376 4.460 -0.084 19459 587 1 1 . 1 1 107 107 SER C C 107 174.594 174.594 175.069 -0.475 19459 588 1 1 . 1 1 107 107 SER CA C 107 57.111 57.111 58.992 -1.881 19459 589 1 1 . 1 1 107 107 SER CB C 107 63.835 63.835 64.628 -0.793 19459 590 1 1 . 1 1 107 107 SER H H 107 8.013 8.013 8.953 -0.940 19459 591 1 1 . 1 1 108 108 GLY N N 108 119.089 119.089 110.873 8.216 19459 592 1 1 . 1 1 108 108 GLY C C 108 174.665 174.665 173.359 1.306 19459 593 1 1 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.438 2.050 19459 594 1 1 . 1 1 108 108 GLY H H 108 9.116 9.116 7.592 1.524 19459 595 1 1 . 1 1 109 109 ASP N N 109 127.143 127.143 121.255 5.888 19459 596 1 1 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.612 0.149 19459 597 1 1 . 1 1 109 109 ASP C C 109 173.724 173.724 175.911 -2.187 19459 598 1 1 . 1 1 109 109 ASP CA C 109 53.723 53.723 53.958 -0.235 19459 599 1 1 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.217 0.015 19459 600 1 1 . 1 1 109 109 ASP H H 109 8.845 8.845 8.229 0.616 19459 601 1 1 . 1 1 110 110 THR N N 110 115.044 115.044 113.268 1.776 19459 602 1 1 . 1 1 110 110 THR HA H 110 4.663 4.663 4.516 0.147 19459 603 1 1 . 1 1 110 110 THR C C 110 175.636 175.636 172.139 3.497 19459 604 1 1 . 1 1 110 110 THR CA C 110 58.612 58.612 60.671 -2.059 19459 605 1 1 . 1 1 110 110 THR CB C 110 71.146 71.146 70.447 0.700 19459 606 1 1 . 1 1 110 110 THR H H 110 8.134 8.134 7.276 0.858 19459 607 1 1 . 1 1 111 111 VAL N N 111 115.728 115.728 119.196 -3.468 19459 608 1 1 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.112 0.203 19459 609 1 1 . 1 1 111 111 VAL C C 111 174.752 174.752 174.402 0.350 19459 610 1 1 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.623 -0.982 19459 611 1 1 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.583 0.241 19459 612 1 1 . 1 1 111 111 VAL H H 111 8.310 8.310 8.498 -0.188 19459 613 1 1 . 1 1 112 112 ILE N N 112 117.116 117.116 119.295 -2.179 19459 614 1 1 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.732 -0.226 19459 615 1 1 . 1 1 112 112 ILE C C 112 174.637 174.637 174.356 0.281 19459 616 1 1 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.533 0.962 19459 617 1 1 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.692 1.499 19459 618 1 1 . 1 1 112 112 ILE H H 112 8.945 8.945 8.445 0.500 19459 619 1 1 . 1 1 113 113 TRP N N 113 121.755 121.755 122.016 -0.261 19459 620 1 1 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.978 0.129 19459 621 1 1 . 1 1 113 113 TRP C C 113 170.413 170.413 176.955 -6.542 19459 622 1 1 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.380 -0.004 19459 623 1 1 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.131 -0.835 19459 624 1 1 . 1 1 113 113 TRP H H 113 7.567 7.567 8.478 -0.911 19459 625 1 1 . 1 1 114 114 ASP N N 114 123.286 123.286 119.458 3.828 19459 626 1 1 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.543 -0.336 19459 627 1 1 . 1 1 114 114 ASP C C 114 174.083 174.083 176.265 -2.182 19459 628 1 1 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.363 1.038 19459 629 1 1 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.190 -1.041 19459 630 1 1 . 1 1 114 114 ASP H H 114 9.451 9.451 8.592 0.859 19459 631 1 1 . 1 1 115 115 GLN N N 115 116.139 116.139 119.652 -3.513 19459 632 1 1 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.186 0.559 19459 633 1 1 . 1 1 115 115 GLN C C 115 173.639 173.639 176.185 -2.546 19459 634 1 1 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.794 -3.611 19459 635 1 1 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.785 3.538 19459 636 1 1 . 1 1 115 115 GLN H H 115 7.305 7.305 8.093 -0.788 19459 637 1 1 . 1 1 116 116 GLU N N 116 120.881 120.881 123.752 -2.871 19459 638 1 1 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.262 0.068 19459 639 1 1 . 1 1 116 116 GLU C C 116 173.578 173.578 176.829 -3.251 19459 640 1 1 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.199 -3.042 19459 641 1 1 . 1 1 116 116 GLU CB C 116 30.215 30.215 29.928 0.287 19459 642 1 1 . 1 1 116 116 GLU H H 116 8.615 8.615 8.730 -0.115 19459 643 1 1 . 1 1 117 117 THR N N 117 119.889 119.889 110.996 8.893 19459 644 1 1 . 1 1 117 117 THR HA H 117 3.609 3.609 4.355 -0.746 19459 645 1 1 . 1 1 117 117 THR C C 117 176.699 176.699 171.693 5.006 19459 646 1 1 . 1 1 117 117 THR CA C 117 61.757 61.757 60.218 1.539 19459 647 1 1 . 1 1 117 117 THR CB C 117 69.799 69.799 69.775 0.025 19459 648 1 1 . 1 1 117 117 THR H H 117 8.075 8.075 7.476 0.599 19459 649 1 1 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.308 0.224 19459 650 1 1 . 1 1 118 118 PRO C C 118 175.300 175.300 175.830 -0.530 19459 651 1 1 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.768 -0.408 19459 652 1 1 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.041 0.847 19459 653 1 1 . 1 1 119 119 ILE N N 119 114.729 114.729 121.354 -6.625 19459 654 1 1 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.265 0.022 19459 655 1 1 . 1 1 119 119 ILE C C 119 174.748 174.748 174.767 -0.019 19459 656 1 1 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.597 -1.355 19459 657 1 1 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.672 -0.488 19459 658 1 1 . 1 1 119 119 ILE H H 119 7.874 7.874 7.888 -0.014 19459 659 1 1 . 1 1 120 120 CYS N N 120 123.444 123.444 126.168 -2.724 19459 660 1 1 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.899 0.651 19459 661 1 1 . 1 1 120 120 CYS C C 120 175.583 175.583 175.127 0.456 19459 662 1 1 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.314 -4.620 19459 663 1 1 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.730 12.720 19459 664 1 1 . 1 1 120 120 CYS H H 120 8.583 8.583 8.537 0.046 19459 665 1 1 . 1 1 121 121 ASP N N 121 124.459 124.459 125.469 -1.010 19459 666 1 1 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.442 0.865 19459 667 1 1 . 1 1 121 121 ASP C C 121 174.495 174.495 176.346 -1.851 19459 668 1 1 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.330 -3.113 19459 669 1 1 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.420 2.983 19459 670 1 1 . 1 1 121 121 ASP H H 121 9.309 9.309 9.073 0.236 19459 671 1 2 . 1 1 2 2 CYS N N 2 117.967 117.967 118.204 -0.237 19459 672 1 2 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.914 -0.387 19459 673 1 2 . 1 1 2 2 CYS C C 2 174.023 174.023 175.079 -1.056 19459 674 1 2 . 1 1 2 2 CYS CA C 2 58.972 58.972 57.766 1.206 19459 675 1 2 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.628 17.430 19459 676 1 2 . 1 1 2 2 CYS H H 2 9.327 9.327 8.039 1.288 19459 677 1 2 . 1 1 3 3 ASN N N 3 119.722 119.722 117.738 1.984 19459 678 1 2 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.613 0.636 19459 679 1 2 . 1 1 3 3 ASN C C 3 175.027 175.027 174.145 0.882 19459 680 1 2 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.856 -1.343 19459 681 1 2 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.667 1.976 19459 682 1 2 . 1 1 3 3 ASN H H 3 8.686 8.686 8.381 0.305 19459 683 1 2 . 1 1 4 4 ALA N N 4 122.403 122.403 118.943 3.460 19459 684 1 2 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.731 -0.302 19459 685 1 2 . 1 1 4 4 ALA C C 4 173.517 173.517 176.245 -2.728 19459 686 1 2 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.562 -0.750 19459 687 1 2 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.477 -1.490 19459 688 1 2 . 1 1 4 4 ALA H H 4 8.401 8.401 8.261 0.140 19459 689 1 2 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.207 -0.299 19459 690 1 2 . 1 1 5 5 PRO C C 5 172.806 172.806 176.666 -3.860 19459 691 1 2 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.921 -1.470 19459 692 1 2 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.054 -0.502 19459 693 1 2 . 1 1 6 6 GLU N N 6 121.296 121.296 115.215 6.081 19459 694 1 2 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.411 -0.220 19459 695 1 2 . 1 1 6 6 GLU C C 6 172.835 172.835 174.247 -1.412 19459 696 1 2 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.678 0.496 19459 697 1 2 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.655 0.309 19459 698 1 2 . 1 1 6 6 GLU H H 6 8.443 8.443 7.881 0.562 19459 699 1 2 . 1 1 7 7 TRP N N 7 124.746 124.746 123.004 1.742 19459 700 1 2 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.837 -0.905 19459 701 1 2 . 1 1 7 7 TRP C C 7 174.236 174.236 174.847 -0.611 19459 702 1 2 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.055 2.857 19459 703 1 2 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.830 -0.797 19459 704 1 2 . 1 1 7 7 TRP H H 7 8.674 8.674 8.457 0.217 19459 705 1 2 . 1 1 8 8 LEU N N 8 125.782 125.782 131.673 -5.891 19459 706 1 2 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.356 0.200 19459 707 1 2 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.118 -0.153 19459 708 1 2 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.440 -0.547 19459 709 1 2 . 1 1 8 8 LEU H H 8 7.922 7.922 7.955 -0.033 19459 710 1 2 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.679 -0.081 19459 711 1 2 . 1 1 9 9 PRO C C 9 172.961 172.961 177.868 -4.907 19459 712 1 2 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.201 -0.661 19459 713 1 2 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.372 0.066 19459 714 1 2 . 1 1 10 10 PHE N N 10 106.863 106.863 117.221 -10.358 19459 715 1 2 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.057 -0.448 19459 716 1 2 . 1 1 10 10 PHE C C 10 175.535 175.535 175.580 -0.045 19459 717 1 2 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.835 -3.978 19459 718 1 2 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.692 3.083 19459 719 1 2 . 1 1 10 10 PHE H H 10 5.588 5.588 7.611 -2.023 19459 720 1 2 . 1 1 11 11 ALA N N 11 121.214 121.214 118.875 2.339 19459 721 1 2 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.375 -0.232 19459 722 1 2 . 1 1 11 11 ALA C C 11 175.918 175.918 176.141 -0.223 19459 723 1 2 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.644 1.224 19459 724 1 2 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.374 3.356 19459 725 1 2 . 1 1 11 11 ALA H H 11 6.349 6.349 7.104 -0.755 19459 726 1 2 . 1 1 12 12 ARG N N 12 117.160 117.160 122.187 -5.027 19459 727 1 2 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.703 -0.006 19459 728 1 2 . 1 1 12 12 ARG C C 12 178.499 178.499 173.401 5.098 19459 729 1 2 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.460 0.405 19459 730 1 2 . 1 1 12 12 ARG H H 12 9.219 9.219 7.863 1.356 19459 731 1 2 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.550 -0.881 19459 732 1 2 . 1 1 13 13 PRO C C 13 171.555 171.555 176.564 -5.009 19459 733 1 2 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.333 -0.952 19459 734 1 2 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.808 -0.260 19459 735 1 2 . 1 1 14 14 THR N N 14 112.823 112.823 115.100 -2.277 19459 736 1 2 . 1 1 14 14 THR HA H 14 3.905 3.905 4.226 -0.321 19459 737 1 2 . 1 1 14 14 THR C C 14 174.364 174.364 175.063 -0.699 19459 738 1 2 . 1 1 14 14 THR CA C 14 63.180 63.180 62.753 0.427 19459 739 1 2 . 1 1 14 14 THR CB C 14 68.154 68.154 68.596 -0.442 19459 740 1 2 . 1 1 14 14 THR H H 14 8.062 8.062 8.339 -0.277 19459 741 1 2 . 1 1 15 15 GLN N N 15 119.736 119.736 116.880 2.856 19459 742 1 2 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.416 0.085 19459 743 1 2 . 1 1 15 15 GLN C C 15 174.815 174.815 175.582 -0.767 19459 744 1 2 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.684 -2.317 19459 745 1 2 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.332 1.784 19459 746 1 2 . 1 1 15 15 GLN H H 15 7.758 7.758 8.015 -0.257 19459 747 1 2 . 1 1 16 16 LEU N N 16 124.583 124.583 119.532 5.051 19459 748 1 2 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.649 -0.288 19459 749 1 2 . 1 1 16 16 LEU C C 16 172.167 172.167 177.138 -4.971 19459 750 1 2 . 1 1 16 16 LEU CA C 16 55.297 55.297 55.273 0.024 19459 751 1 2 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.877 0.157 19459 752 1 2 . 1 1 16 16 LEU H H 16 8.458 8.458 7.888 0.570 19459 753 1 2 . 1 1 17 17 THR N N 17 116.730 116.730 112.605 4.125 19459 754 1 2 . 1 1 17 17 THR HA H 17 4.633 4.633 3.922 0.711 19459 755 1 2 . 1 1 17 17 THR C C 17 175.703 175.703 175.415 0.288 19459 756 1 2 . 1 1 17 17 THR CA C 17 60.358 60.358 64.915 -4.557 19459 757 1 2 . 1 1 17 17 THR CB C 17 70.110 70.110 68.745 1.365 19459 758 1 2 . 1 1 17 17 THR H H 17 8.325 8.325 8.155 0.170 19459 759 1 2 . 1 1 18 18 ASP N N 18 122.839 122.839 118.241 4.598 19459 760 1 2 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.798 -0.056 19459 761 1 2 . 1 1 18 18 ASP C C 18 173.642 173.642 175.385 -1.743 19459 762 1 2 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.038 -0.824 19459 763 1 2 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.836 -1.914 19459 764 1 2 . 1 1 18 18 ASP H H 18 8.487 8.487 7.915 0.572 19459 765 1 2 . 1 1 19 19 GLU N N 19 120.523 120.523 119.275 1.248 19459 766 1 2 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.495 -0.422 19459 767 1 2 . 1 1 19 19 GLU C C 19 174.249 174.249 175.973 -1.724 19459 768 1 2 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.774 1.376 19459 769 1 2 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.710 -0.367 19459 770 1 2 . 1 1 19 19 GLU H H 19 7.931 7.931 7.633 0.298 19459 771 1 2 . 1 1 20 20 PHE N N 20 118.500 118.500 120.394 -1.894 19459 772 1 2 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.376 0.370 19459 773 1 2 . 1 1 20 20 PHE C C 20 174.885 174.885 176.435 -1.550 19459 774 1 2 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.072 -4.558 19459 775 1 2 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.662 0.821 19459 776 1 2 . 1 1 20 20 PHE H H 20 8.279 8.279 8.257 0.022 19459 777 1 2 . 1 1 21 21 GLU N N 21 117.080 117.080 118.869 -1.789 19459 778 1 2 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.765 0.245 19459 779 1 2 . 1 1 21 21 GLU C C 21 174.900 174.900 175.295 -0.395 19459 780 1 2 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.504 -1.231 19459 781 1 2 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.692 -0.319 19459 782 1 2 . 1 1 21 21 GLU H H 21 7.022 7.022 8.069 -1.047 19459 783 1 2 . 1 1 22 22 PHE N N 22 119.655 119.655 121.090 -1.435 19459 784 1 2 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.912 0.057 19459 785 1 2 . 1 1 22 22 PHE C C 22 176.708 176.708 173.293 3.415 19459 786 1 2 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.176 -0.400 19459 787 1 2 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.548 -0.802 19459 788 1 2 . 1 1 22 22 PHE H H 22 8.974 8.974 8.574 0.400 19459 789 1 2 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.472 0.116 19459 790 1 2 . 1 1 23 23 PRO C C 23 171.163 171.163 176.585 -5.422 19459 791 1 2 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.405 0.012 19459 792 1 2 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.293 0.362 19459 793 1 2 . 1 1 24 24 ILE N N 24 123.238 123.238 120.725 2.513 19459 794 1 2 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.858 -0.448 19459 795 1 2 . 1 1 24 24 ILE C C 24 172.283 172.283 177.401 -5.118 19459 796 1 2 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.819 1.227 19459 797 1 2 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.606 -0.157 19459 798 1 2 . 1 1 24 24 ILE H H 24 8.199 8.199 8.408 -0.209 19459 799 1 2 . 1 1 25 25 GLY N N 25 115.962 115.962 114.701 1.261 19459 800 1 2 . 1 1 25 25 GLY C C 25 174.927 174.927 174.380 0.547 19459 801 1 2 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.062 -0.639 19459 802 1 2 . 1 1 25 25 GLY H H 25 9.061 9.061 8.577 0.484 19459 803 1 2 . 1 1 26 26 THR N N 26 117.152 117.152 117.742 -0.590 19459 804 1 2 . 1 1 26 26 THR HA H 26 4.081 4.081 4.711 -0.630 19459 805 1 2 . 1 1 26 26 THR C C 26 176.723 176.723 173.229 3.494 19459 806 1 2 . 1 1 26 26 THR CA C 26 65.711 65.711 62.006 3.705 19459 807 1 2 . 1 1 26 26 THR CB C 26 70.084 70.084 70.712 -0.628 19459 808 1 2 . 1 1 26 26 THR H H 26 7.704 7.704 7.475 0.229 19459 809 1 2 . 1 1 27 27 TYR N N 27 125.094 125.094 125.341 -0.247 19459 810 1 2 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.937 0.855 19459 811 1 2 . 1 1 27 27 TYR C C 27 173.835 173.835 175.762 -1.927 19459 812 1 2 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.481 -1.618 19459 813 1 2 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.655 1.221 19459 814 1 2 . 1 1 27 27 TYR H H 27 8.542 8.542 8.837 -0.295 19459 815 1 2 . 1 1 28 28 LEU N N 28 120.714 120.714 124.796 -4.082 19459 816 1 2 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.771 0.013 19459 817 1 2 . 1 1 28 28 LEU C C 28 172.808 172.808 176.270 -3.462 19459 818 1 2 . 1 1 28 28 LEU CA C 28 53.183 53.183 52.145 1.038 19459 819 1 2 . 1 1 28 28 LEU CB C 28 45.938 45.938 42.379 3.559 19459 820 1 2 . 1 1 28 28 LEU H H 28 9.000 9.000 8.061 0.939 19459 821 1 2 . 1 1 29 29 ASN N N 29 121.617 121.617 121.438 0.179 19459 822 1 2 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.554 0.346 19459 823 1 2 . 1 1 29 29 ASN C C 29 174.783 174.783 174.212 0.571 19459 824 1 2 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.847 1.385 19459 825 1 2 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.593 0.598 19459 826 1 2 . 1 1 29 29 ASN H H 29 8.544 8.544 8.994 -0.450 19459 827 1 2 . 1 1 30 30 TYR N N 30 126.738 126.738 125.822 0.916 19459 828 1 2 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.556 0.130 19459 829 1 2 . 1 1 30 30 TYR C C 30 174.911 174.911 174.002 0.909 19459 830 1 2 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.513 -0.612 19459 831 1 2 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.786 4.056 19459 832 1 2 . 1 1 30 30 TYR H H 30 9.324 9.324 7.732 1.592 19459 833 1 2 . 1 1 31 31 GLU N N 31 114.116 114.116 119.741 -5.625 19459 834 1 2 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.591 0.119 19459 835 1 2 . 1 1 31 31 GLU C C 31 173.694 173.694 174.448 -0.754 19459 836 1 2 . 1 1 31 31 GLU CA C 31 53.119 53.119 53.989 -0.870 19459 837 1 2 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.763 -0.137 19459 838 1 2 . 1 1 31 31 GLU H H 31 8.553 8.553 8.085 0.468 19459 839 1 2 . 1 1 32 32 CYS N N 32 121.086 121.086 120.806 0.280 19459 840 1 2 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.743 0.308 19459 841 1 2 . 1 1 32 32 CYS C C 32 173.553 173.553 175.970 -2.417 19459 842 1 2 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.922 -4.441 19459 843 1 2 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.440 10.047 19459 844 1 2 . 1 1 32 32 CYS H H 32 9.784 9.784 8.791 0.993 19459 845 1 2 . 1 1 33 33 ARG N N 33 123.418 123.418 123.165 0.253 19459 846 1 2 . 1 1 33 33 ARG C C 33 176.822 176.822 174.489 2.333 19459 847 1 2 . 1 1 33 33 ARG CA C 33 56.311 56.311 56.000 0.311 19459 848 1 2 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.929 -0.586 19459 849 1 2 . 1 1 33 33 ARG H H 33 7.898 7.898 8.366 -0.468 19459 850 1 2 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.393 -0.013 19459 851 1 2 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.928 0.127 19459 852 1 2 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.840 -0.505 19459 853 1 2 . 1 1 35 35 GLY N N 35 111.039 111.039 109.298 1.741 19459 854 1 2 . 1 1 35 35 GLY C C 35 177.546 177.546 173.767 3.779 19459 855 1 2 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.831 -0.932 19459 856 1 2 . 1 1 35 35 GLY H H 35 8.378 8.378 8.443 -0.065 19459 857 1 2 . 1 1 36 36 TYR N N 36 116.682 116.682 118.936 -2.254 19459 858 1 2 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.677 0.344 19459 859 1 2 . 1 1 36 36 TYR C C 36 174.005 174.005 176.393 -2.388 19459 860 1 2 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.615 -0.120 19459 861 1 2 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.303 1.678 19459 862 1 2 . 1 1 36 36 TYR H H 36 8.175 8.175 7.417 0.758 19459 863 1 2 . 1 1 37 37 SER N N 37 115.855 115.855 121.330 -5.475 19459 864 1 2 . 1 1 37 37 SER HA H 37 4.819 4.819 4.226 0.593 19459 865 1 2 . 1 1 37 37 SER C C 37 175.442 175.442 176.309 -0.867 19459 866 1 2 . 1 1 37 37 SER CA C 37 56.534 56.534 60.809 -4.275 19459 867 1 2 . 1 1 37 37 SER CB C 37 65.642 65.642 63.126 2.516 19459 868 1 2 . 1 1 37 37 SER H H 37 9.711 9.711 8.496 1.215 19459 869 1 2 . 1 1 38 38 GLY N N 38 113.435 113.435 108.481 4.954 19459 870 1 2 . 1 1 38 38 GLY C C 38 175.876 175.876 174.556 1.320 19459 871 1 2 . 1 1 38 38 GLY CA C 38 45.268 45.268 45.057 0.211 19459 872 1 2 . 1 1 38 38 GLY H H 38 8.288 8.288 8.349 -0.061 19459 873 1 2 . 1 1 39 39 ARG N N 39 124.199 124.199 119.712 4.487 19459 874 1 2 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.151 0.588 19459 875 1 2 . 1 1 39 39 ARG C C 39 175.413 175.413 173.780 1.633 19459 876 1 2 . 1 1 39 39 ARG CA C 39 54.740 54.740 55.635 -0.895 19459 877 1 2 . 1 1 39 39 ARG CB C 39 29.634 29.634 28.508 1.127 19459 878 1 2 . 1 1 39 39 ARG H H 39 8.350 8.350 8.242 0.108 19459 879 1 2 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.610 0.048 19459 880 1 2 . 1 1 40 40 PRO C C 40 173.702 173.702 176.417 -2.715 19459 881 1 2 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.556 1.913 19459 882 1 2 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.958 0.230 19459 883 1 2 . 1 1 41 41 PHE N N 41 118.388 118.388 122.883 -4.495 19459 884 1 2 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.332 0.831 19459 885 1 2 . 1 1 41 41 PHE C C 41 176.886 176.886 175.422 1.464 19459 886 1 2 . 1 1 41 41 PHE CA C 41 55.566 55.566 60.645 -5.080 19459 887 1 2 . 1 1 41 41 PHE CB C 41 41.264 41.264 40.416 0.848 19459 888 1 2 . 1 1 41 41 PHE H H 41 8.017 8.017 8.474 -0.457 19459 889 1 2 . 1 1 42 42 SER N N 42 114.056 114.056 110.375 3.681 19459 890 1 2 . 1 1 42 42 SER HA H 42 5.771 5.771 4.858 0.913 19459 891 1 2 . 1 1 42 42 SER C C 42 174.978 174.978 172.806 2.172 19459 892 1 2 . 1 1 42 42 SER CA C 42 56.668 56.668 57.551 -0.883 19459 893 1 2 . 1 1 42 42 SER CB C 42 66.152 66.152 66.312 -0.160 19459 894 1 2 . 1 1 42 42 SER H H 42 8.540 8.540 7.809 0.731 19459 895 1 2 . 1 1 43 43 ILE N N 43 115.669 115.669 116.599 -0.930 19459 896 1 2 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.711 0.354 19459 897 1 2 . 1 1 43 43 ILE C C 43 174.535 174.535 174.305 0.230 19459 898 1 2 . 1 1 43 43 ILE CA C 43 60.044 60.044 59.812 0.232 19459 899 1 2 . 1 1 43 43 ILE CB C 43 40.355 40.355 40.399 -0.044 19459 900 1 2 . 1 1 43 43 ILE H H 43 8.637 8.637 7.983 0.654 19459 901 1 2 . 1 1 44 44 ILE N N 44 120.215 120.215 121.163 -0.948 19459 902 1 2 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.039 0.247 19459 903 1 2 . 1 1 44 44 ILE C C 44 174.033 174.033 177.113 -3.080 19459 904 1 2 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.141 0.515 19459 905 1 2 . 1 1 44 44 ILE CB C 44 42.330 42.330 41.921 0.409 19459 906 1 2 . 1 1 44 44 ILE H H 44 8.687 8.687 7.907 0.780 19459 907 1 2 . 1 1 45 45 CYS N N 45 126.257 126.257 125.942 0.315 19459 908 1 2 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.326 -0.574 19459 909 1 2 . 1 1 45 45 CYS C C 45 174.946 174.946 176.484 -1.538 19459 910 1 2 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.174 -4.108 19459 911 1 2 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.069 14.542 19459 912 1 2 . 1 1 45 45 CYS H H 45 7.993 7.993 8.791 -0.798 19459 913 1 2 . 1 1 46 46 LEU N N 46 132.514 132.514 121.650 10.864 19459 914 1 2 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.980 0.436 19459 915 1 2 . 1 1 46 46 LEU C C 46 172.195 172.195 177.139 -4.944 19459 916 1 2 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.265 -2.921 19459 917 1 2 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.950 2.254 19459 918 1 2 . 1 1 46 46 LEU H H 46 8.826 8.826 8.057 0.769 19459 919 1 2 . 1 1 47 47 LYS N N 47 115.254 115.254 117.922 -2.668 19459 920 1 2 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.319 -0.331 19459 921 1 2 . 1 1 47 47 LYS C C 47 173.781 173.781 176.340 -2.559 19459 922 1 2 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.455 2.528 19459 923 1 2 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.965 -1.757 19459 924 1 2 . 1 1 47 47 LYS H H 47 7.949 7.949 7.978 -0.029 19459 925 1 2 . 1 1 48 48 ASN N N 48 115.283 115.283 124.526 -9.243 19459 926 1 2 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.329 0.207 19459 927 1 2 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.367 -0.827 19459 928 1 2 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.013 -0.641 19459 929 1 2 . 1 1 48 48 ASN H H 48 8.432 8.432 9.453 -1.021 19459 930 1 2 . 1 1 49 49 SER N N 49 110.595 110.595 106.660 3.935 19459 931 1 2 . 1 1 49 49 SER HA H 49 3.969 3.969 4.040 -0.071 19459 932 1 2 . 1 1 49 49 SER CA C 49 59.790 59.790 59.916 -0.126 19459 933 1 2 . 1 1 49 49 SER CB C 49 60.870 60.870 62.254 -1.384 19459 934 1 2 . 1 1 49 49 SER H H 49 8.457 8.457 8.515 -0.058 19459 935 1 2 . 1 1 50 50 VAL N N 50 117.680 117.680 118.323 -0.643 19459 936 1 2 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.952 0.381 19459 937 1 2 . 1 1 50 50 VAL C C 50 175.347 175.347 175.544 -0.197 19459 938 1 2 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.276 -3.392 19459 939 1 2 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.396 1.441 19459 940 1 2 . 1 1 50 50 VAL H H 50 6.840 6.840 7.569 -0.729 19459 941 1 2 . 1 1 51 51 TRP N N 51 123.510 123.510 116.215 7.295 19459 942 1 2 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.390 -0.068 19459 943 1 2 . 1 1 51 51 TRP C C 51 170.736 170.736 177.023 -6.287 19459 944 1 2 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.451 -0.514 19459 945 1 2 . 1 1 51 51 TRP CB C 51 30.791 30.791 33.053 -2.262 19459 946 1 2 . 1 1 51 51 TRP H H 51 8.310 8.310 7.799 0.511 19459 947 1 2 . 1 1 52 52 THR N N 52 115.962 115.962 113.140 2.822 19459 948 1 2 . 1 1 52 52 THR HA H 52 4.656 4.656 4.180 0.476 19459 949 1 2 . 1 1 52 52 THR C C 52 175.780 175.780 175.202 0.578 19459 950 1 2 . 1 1 52 52 THR CA C 52 61.376 61.376 63.515 -2.139 19459 951 1 2 . 1 1 52 52 THR CB C 52 70.723 70.723 69.287 1.436 19459 952 1 2 . 1 1 52 52 THR H H 52 9.026 9.026 8.730 0.296 19459 953 1 2 . 1 1 53 53 GLY N N 53 108.521 108.521 109.529 -1.008 19459 954 1 2 . 1 1 53 53 GLY C C 53 174.881 174.881 173.599 1.282 19459 955 1 2 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.804 0.540 19459 956 1 2 . 1 1 53 53 GLY H H 53 8.292 8.292 7.615 0.677 19459 957 1 2 . 1 1 54 54 ALA N N 54 121.857 121.857 125.733 -3.876 19459 958 1 2 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.111 0.042 19459 959 1 2 . 1 1 54 54 ALA C C 54 172.786 172.786 177.358 -4.572 19459 960 1 2 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.209 -0.512 19459 961 1 2 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.795 0.919 19459 962 1 2 . 1 1 54 54 ALA H H 54 8.443 8.443 8.518 -0.075 19459 963 1 2 . 1 1 55 55 LYS N N 55 118.318 118.318 120.131 -1.813 19459 964 1 2 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.159 -0.415 19459 965 1 2 . 1 1 55 55 LYS C C 55 172.519 172.519 176.497 -3.978 19459 966 1 2 . 1 1 55 55 LYS CA C 55 57.944 57.944 57.212 0.732 19459 967 1 2 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.818 -0.186 19459 968 1 2 . 1 1 55 55 LYS H H 55 7.612 7.612 7.710 -0.098 19459 969 1 2 . 1 1 56 56 ASP N N 56 119.214 119.214 118.879 0.335 19459 970 1 2 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.423 -0.306 19459 971 1 2 . 1 1 56 56 ASP C C 56 173.700 173.700 176.719 -3.019 19459 972 1 2 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.712 -0.328 19459 973 1 2 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.392 -0.222 19459 974 1 2 . 1 1 56 56 ASP H H 56 8.555 8.555 8.885 -0.330 19459 975 1 2 . 1 1 57 57 ARG N N 57 116.006 116.006 117.529 -1.523 19459 976 1 2 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.068 -0.188 19459 977 1 2 . 1 1 57 57 ARG C C 57 171.638 171.638 175.735 -4.097 19459 978 1 2 . 1 1 57 57 ARG CA C 57 55.927 55.927 59.003 -3.076 19459 979 1 2 . 1 1 57 57 ARG CB C 57 32.157 32.157 31.213 0.944 19459 980 1 2 . 1 1 57 57 ARG H H 57 7.352 7.352 7.985 -0.633 19459 981 1 2 . 1 1 58 58 CYS N N 58 115.000 115.000 113.896 1.104 19459 982 1 2 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.641 0.933 19459 983 1 2 . 1 1 58 58 CYS C C 58 175.576 175.576 174.106 1.470 19459 984 1 2 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.721 -4.869 19459 985 1 2 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.584 14.992 19459 986 1 2 . 1 1 58 58 CYS H H 58 7.587 7.587 7.775 -0.188 19459 987 1 2 . 1 1 59 59 ARG N N 59 123.440 123.440 121.314 2.126 19459 988 1 2 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.440 0.320 19459 989 1 2 . 1 1 59 59 ARG C C 59 173.566 173.566 175.155 -1.589 19459 990 1 2 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.714 -0.475 19459 991 1 2 . 1 1 59 59 ARG CB C 59 32.802 32.802 32.111 0.691 19459 992 1 2 . 1 1 59 59 ARG H H 59 8.984 8.984 8.666 0.318 19459 993 1 2 . 1 1 60 60 ARG N N 60 125.644 125.644 125.915 -0.271 19459 994 1 2 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.036 -0.385 19459 995 1 2 . 1 1 60 60 ARG C C 60 172.119 172.119 175.248 -3.129 19459 996 1 2 . 1 1 60 60 ARG CA C 60 58.298 58.298 56.256 2.042 19459 997 1 2 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.282 -0.014 19459 998 1 2 . 1 1 60 60 ARG H H 60 9.163 9.163 8.597 0.566 19459 999 1 2 . 1 1 61 61 LYS N N 61 124.217 124.217 123.658 0.559 19459 1000 1 2 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.337 -0.220 19459 1001 1 2 . 1 1 61 61 LYS C C 61 173.791 173.791 175.628 -1.837 19459 1002 1 2 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.018 2.180 19459 1003 1 2 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.902 1.312 19459 1004 1 2 . 1 1 61 61 LYS H H 61 8.601 8.601 8.087 0.514 19459 1005 1 2 . 1 1 62 62 SER N N 62 114.120 114.120 115.982 -1.862 19459 1006 1 2 . 1 1 62 62 SER HA H 62 4.765 4.765 4.505 0.260 19459 1007 1 2 . 1 1 62 62 SER C C 62 175.019 175.019 174.734 0.285 19459 1008 1 2 . 1 1 62 62 SER CA C 62 58.227 58.227 58.919 -0.692 19459 1009 1 2 . 1 1 62 62 SER CB C 62 65.387 65.387 63.847 1.540 19459 1010 1 2 . 1 1 62 62 SER H H 62 8.494 8.494 8.396 0.098 19459 1011 1 2 . 1 1 63 63 CYS N N 63 122.858 122.858 124.089 -1.231 19459 1012 1 2 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.593 -0.525 19459 1013 1 2 . 1 1 63 63 CYS C C 63 176.076 176.076 174.415 1.661 19459 1014 1 2 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.617 2.650 19459 1015 1 2 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.509 12.259 19459 1016 1 2 . 1 1 63 63 CYS H H 63 8.359 8.359 8.375 -0.016 19459 1017 1 2 . 1 1 64 64 ARG N N 64 118.145 118.145 121.506 -3.361 19459 1018 1 2 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.743 -0.577 19459 1019 1 2 . 1 1 64 64 ARG C C 64 173.077 173.077 174.823 -1.746 19459 1020 1 2 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.644 0.336 19459 1021 1 2 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.292 -1.833 19459 1022 1 2 . 1 1 64 64 ARG H H 64 8.496 8.496 8.917 -0.421 19459 1023 1 2 . 1 1 65 65 ASN N N 65 122.302 122.302 119.409 2.893 19459 1024 1 2 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.054 -0.320 19459 1025 1 2 . 1 1 65 65 ASN C C 65 175.117 175.117 174.574 0.543 19459 1026 1 2 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.323 0.789 19459 1027 1 2 . 1 1 65 65 ASN CB C 65 38.367 38.367 38.449 -0.082 19459 1028 1 2 . 1 1 65 65 ASN H H 65 8.691 8.691 9.048 -0.357 19459 1029 1 2 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.247 0.236 19459 1030 1 2 . 1 1 67 67 PRO C C 67 172.228 172.228 176.948 -4.720 19459 1031 1 2 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.562 -1.896 19459 1032 1 2 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.950 0.537 19459 1033 1 2 . 1 1 68 68 ASP N N 68 118.184 118.184 117.093 1.091 19459 1034 1 2 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.403 0.239 19459 1035 1 2 . 1 1 68 68 ASP C C 68 173.951 173.951 174.037 -0.086 19459 1036 1 2 . 1 1 68 68 ASP CA C 68 53.179 53.179 55.206 -2.026 19459 1037 1 2 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.795 -0.296 19459 1038 1 2 . 1 1 68 68 ASP H H 68 8.201 8.201 7.845 0.356 19459 1039 1 2 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.313 -0.077 19459 1040 1 2 . 1 1 69 69 PRO C C 69 172.350 172.350 176.940 -4.590 19459 1041 1 2 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.613 -0.702 19459 1042 1 2 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.755 -1.520 19459 1043 1 2 . 1 1 70 70 VAL N N 70 125.745 125.745 120.812 4.933 19459 1044 1 2 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.699 -0.040 19459 1045 1 2 . 1 1 70 70 VAL C C 70 171.231 171.231 177.587 -6.356 19459 1046 1 2 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.817 -0.153 19459 1047 1 2 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.300 -0.450 19459 1048 1 2 . 1 1 70 70 VAL H H 70 8.251 8.251 8.607 -0.356 19459 1049 1 2 . 1 1 71 71 ASN N N 71 119.702 119.702 119.057 0.645 19459 1050 1 2 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.532 -0.531 19459 1051 1 2 . 1 1 71 71 ASN C C 71 176.167 176.167 176.258 -0.091 19459 1052 1 2 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.425 1.095 19459 1053 1 2 . 1 1 71 71 ASN CB C 71 36.242 36.242 39.134 -2.892 19459 1054 1 2 . 1 1 71 71 ASN H H 71 8.994 8.994 8.287 0.707 19459 1055 1 2 . 1 1 72 72 GLY N N 72 104.254 104.254 106.183 -1.929 19459 1056 1 2 . 1 1 72 72 GLY C C 72 177.732 177.732 173.836 3.896 19459 1057 1 2 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.695 2.403 19459 1058 1 2 . 1 1 72 72 GLY H H 72 7.637 7.637 8.362 -0.725 19459 1059 1 2 . 1 1 73 73 MET N N 73 116.529 116.529 121.862 -5.333 19459 1060 1 2 . 1 1 73 73 MET HA H 73 4.887 4.887 4.571 0.316 19459 1061 1 2 . 1 1 73 73 MET C C 73 175.128 175.128 174.441 0.687 19459 1062 1 2 . 1 1 73 73 MET CA C 73 54.890 54.890 55.428 -0.539 19459 1063 1 2 . 1 1 73 73 MET CB C 73 36.837 36.837 32.775 4.062 19459 1064 1 2 . 1 1 73 73 MET H H 73 8.819 8.819 7.960 0.859 19459 1065 1 2 . 1 1 74 74 VAL N N 74 122.511 122.511 122.303 0.208 19459 1066 1 2 . 1 1 74 74 VAL HA H 74 4.603 4.603 5.121 -0.518 19459 1067 1 2 . 1 1 74 74 VAL C C 74 176.573 176.573 174.439 2.134 19459 1068 1 2 . 1 1 74 74 VAL CA C 74 59.009 59.009 58.894 0.115 19459 1069 1 2 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.535 -0.033 19459 1070 1 2 . 1 1 74 74 VAL H H 74 8.796 8.796 7.766 1.030 19459 1071 1 2 . 1 1 75 75 HIS N N 75 125.200 125.200 127.985 -2.785 19459 1072 1 2 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.841 -0.127 19459 1073 1 2 . 1 1 75 75 HIS C C 75 175.500 175.500 173.469 2.031 19459 1074 1 2 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.954 -1.269 19459 1075 1 2 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.858 -3.850 19459 1076 1 2 . 1 1 75 75 HIS H H 75 8.977 8.977 8.240 0.737 19459 1077 1 2 . 1 1 76 76 VAL N N 76 127.456 127.456 125.435 2.021 19459 1078 1 2 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.282 -0.110 19459 1079 1 2 . 1 1 76 76 VAL C C 76 173.257 173.257 175.273 -2.016 19459 1080 1 2 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.033 1.165 19459 1081 1 2 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.601 -1.261 19459 1082 1 2 . 1 1 76 76 VAL H H 76 8.926 8.926 8.654 0.272 19459 1083 1 2 . 1 1 77 77 ILE N N 77 126.756 126.756 129.602 -2.846 19459 1084 1 2 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.898 0.253 19459 1085 1 2 . 1 1 77 77 ILE C C 77 172.744 172.744 177.174 -4.430 19459 1086 1 2 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.919 -0.985 19459 1087 1 2 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.201 0.971 19459 1088 1 2 . 1 1 77 77 ILE H H 77 7.978 7.978 8.258 -0.280 19459 1089 1 2 . 1 1 78 78 LYS N N 78 123.427 123.427 118.783 4.644 19459 1090 1 2 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.391 0.186 19459 1091 1 2 . 1 1 78 78 LYS C C 78 172.800 172.800 177.068 -4.268 19459 1092 1 2 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.877 -0.494 19459 1093 1 2 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.698 0.154 19459 1094 1 2 . 1 1 78 78 LYS H H 78 9.415 9.415 8.210 1.205 19459 1095 1 2 . 1 1 79 79 GLY N N 79 108.777 108.777 107.202 1.575 19459 1096 1 2 . 1 1 79 79 GLY C C 79 176.221 176.221 174.488 1.733 19459 1097 1 2 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.934 -0.052 19459 1098 1 2 . 1 1 79 79 GLY H H 79 7.857 7.857 8.318 -0.461 19459 1099 1 2 . 1 1 80 80 ILE N N 80 109.131 109.131 117.516 -8.385 19459 1100 1 2 . 1 1 80 80 ILE HA H 80 4.958 4.958 3.815 1.143 19459 1101 1 2 . 1 1 80 80 ILE C C 80 174.883 174.883 174.376 0.507 19459 1102 1 2 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.493 -0.836 19459 1103 1 2 . 1 1 80 80 ILE CB C 80 38.711 38.711 37.418 1.293 19459 1104 1 2 . 1 1 80 80 ILE H H 80 8.076 8.076 7.877 0.199 19459 1105 1 2 . 1 1 81 81 GLN N N 81 116.732 116.732 122.630 -5.898 19459 1106 1 2 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.617 0.049 19459 1107 1 2 . 1 1 81 81 GLN C C 81 172.989 172.989 174.061 -1.072 19459 1108 1 2 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.540 0.961 19459 1109 1 2 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.228 -1.554 19459 1110 1 2 . 1 1 81 81 GLN H H 81 7.682 7.682 7.901 -0.219 19459 1111 1 2 . 1 1 82 82 PHE N N 82 119.773 119.773 123.560 -3.787 19459 1112 1 2 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.063 -0.183 19459 1113 1 2 . 1 1 82 82 PHE C C 82 173.680 173.680 176.892 -3.212 19459 1114 1 2 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.455 -0.770 19459 1115 1 2 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.132 0.987 19459 1116 1 2 . 1 1 82 82 PHE H H 82 8.615 8.615 8.210 0.405 19459 1117 1 2 . 1 1 83 83 GLY N N 83 119.507 119.507 115.305 4.202 19459 1118 1 2 . 1 1 83 83 GLY C C 83 174.662 174.662 173.789 0.873 19459 1119 1 2 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.384 0.107 19459 1120 1 2 . 1 1 83 83 GLY H H 83 9.086 9.086 8.268 0.818 19459 1121 1 2 . 1 1 84 84 SER N N 84 118.128 118.128 116.592 1.536 19459 1122 1 2 . 1 1 84 84 SER HA H 84 4.415 4.415 4.452 -0.037 19459 1123 1 2 . 1 1 84 84 SER C C 84 177.247 177.247 173.417 3.830 19459 1124 1 2 . 1 1 84 84 SER CA C 84 60.111 60.111 59.226 0.885 19459 1125 1 2 . 1 1 84 84 SER CB C 84 64.281 64.281 64.721 -0.440 19459 1126 1 2 . 1 1 84 84 SER H H 84 8.573 8.573 7.954 0.619 19459 1127 1 2 . 1 1 85 85 GLN N N 85 119.913 119.913 126.549 -6.636 19459 1128 1 2 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.852 -0.033 19459 1129 1 2 . 1 1 85 85 GLN C C 85 172.795 172.795 174.677 -1.882 19459 1130 1 2 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.177 -0.012 19459 1131 1 2 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.323 0.421 19459 1132 1 2 . 1 1 85 85 GLN H H 85 8.211 8.211 8.533 -0.322 19459 1133 1 2 . 1 1 86 86 ILE N N 86 119.724 119.724 121.257 -1.533 19459 1134 1 2 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.016 -0.259 19459 1135 1 2 . 1 1 86 86 ILE C C 86 174.969 174.969 173.269 1.700 19459 1136 1 2 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.129 1.698 19459 1137 1 2 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.834 -1.040 19459 1138 1 2 . 1 1 86 86 ILE H H 86 9.215 9.215 8.392 0.823 19459 1139 1 2 . 1 1 87 87 LYS N N 87 117.135 117.135 120.368 -3.233 19459 1140 1 2 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.112 0.123 19459 1141 1 2 . 1 1 87 87 LYS C C 87 174.599 174.599 175.645 -1.046 19459 1142 1 2 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.718 -0.004 19459 1143 1 2 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.252 2.575 19459 1144 1 2 . 1 1 87 87 LYS H H 87 7.600 7.600 8.608 -1.008 19459 1145 1 2 . 1 1 88 88 TYR N N 88 119.004 119.004 123.435 -4.431 19459 1146 1 2 . 1 1 88 88 TYR HA H 88 5.422 5.422 5.026 0.396 19459 1147 1 2 . 1 1 88 88 TYR C C 88 174.407 174.407 175.561 -1.154 19459 1148 1 2 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.329 0.606 19459 1149 1 2 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.040 5.919 19459 1150 1 2 . 1 1 88 88 TYR H H 88 8.601 8.601 9.228 -0.627 19459 1151 1 2 . 1 1 89 89 SER N N 89 113.228 113.228 116.459 -3.231 19459 1152 1 2 . 1 1 89 89 SER HA H 89 4.668 4.668 5.024 -0.356 19459 1153 1 2 . 1 1 89 89 SER C C 89 177.136 177.136 173.993 3.143 19459 1154 1 2 . 1 1 89 89 SER CA C 89 57.291 57.291 57.672 -0.381 19459 1155 1 2 . 1 1 89 89 SER CB C 89 66.534 66.534 65.462 1.072 19459 1156 1 2 . 1 1 89 89 SER H H 89 9.007 9.007 7.919 1.088 19459 1157 1 2 . 1 1 90 90 CYS N N 90 116.009 116.009 117.651 -1.642 19459 1158 1 2 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.560 0.861 19459 1159 1 2 . 1 1 90 90 CYS C C 90 173.812 173.812 173.517 0.295 19459 1160 1 2 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.953 -5.870 19459 1161 1 2 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.450 12.954 19459 1162 1 2 . 1 1 90 90 CYS H H 90 8.806 8.806 8.244 0.562 19459 1163 1 2 . 1 1 91 91 THR N N 91 120.813 120.813 112.160 8.653 19459 1164 1 2 . 1 1 91 91 THR HA H 91 3.994 3.994 4.365 -0.371 19459 1165 1 2 . 1 1 91 91 THR C C 91 176.445 176.445 174.086 2.359 19459 1166 1 2 . 1 1 91 91 THR CA C 91 63.440 63.440 60.903 2.537 19459 1167 1 2 . 1 1 91 91 THR CB C 91 69.608 69.608 70.901 -1.293 19459 1168 1 2 . 1 1 91 91 THR H H 91 8.737 8.737 6.238 2.499 19459 1169 1 2 . 1 1 92 92 LYS N N 92 124.963 124.963 121.708 3.255 19459 1170 1 2 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.236 -0.132 19459 1171 1 2 . 1 1 92 92 LYS C C 92 172.310 172.310 178.072 -5.762 19459 1172 1 2 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.465 0.422 19459 1173 1 2 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.637 -0.498 19459 1174 1 2 . 1 1 92 92 LYS H H 92 8.325 8.325 8.418 -0.093 19459 1175 1 2 . 1 1 93 93 GLY N N 93 113.608 113.608 108.225 5.383 19459 1176 1 2 . 1 1 93 93 GLY C C 93 175.127 175.127 173.173 1.954 19459 1177 1 2 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.381 0.330 19459 1178 1 2 . 1 1 93 93 GLY H H 93 8.827 8.827 8.268 0.559 19459 1179 1 2 . 1 1 94 94 TYR N N 94 119.900 119.900 120.567 -0.667 19459 1180 1 2 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.828 -0.186 19459 1181 1 2 . 1 1 94 94 TYR C C 94 174.548 174.548 173.207 1.341 19459 1182 1 2 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.284 0.874 19459 1183 1 2 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.487 -0.293 19459 1184 1 2 . 1 1 94 94 TYR H H 94 8.281 8.281 7.677 0.604 19459 1185 1 2 . 1 1 95 95 ARG N N 95 122.431 122.431 120.010 2.421 19459 1186 1 2 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.070 0.458 19459 1187 1 2 . 1 1 95 95 ARG C C 95 175.179 175.179 173.969 1.210 19459 1188 1 2 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.235 0.318 19459 1189 1 2 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.709 -0.508 19459 1190 1 2 . 1 1 95 95 ARG H H 95 9.608 9.608 8.292 1.316 19459 1191 1 2 . 1 1 96 96 LEU N N 96 125.652 125.652 123.451 2.201 19459 1192 1 2 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.593 0.069 19459 1193 1 2 . 1 1 96 96 LEU C C 96 172.420 172.420 176.680 -4.260 19459 1194 1 2 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.010 2.493 19459 1195 1 2 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.532 -0.726 19459 1196 1 2 . 1 1 96 96 LEU H H 96 8.231 8.231 8.216 0.015 19459 1197 1 2 . 1 1 97 97 ILE N N 97 131.597 131.597 124.959 6.638 19459 1198 1 2 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.881 0.359 19459 1199 1 2 . 1 1 97 97 ILE C C 97 174.158 174.158 176.812 -2.654 19459 1200 1 2 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.721 -0.552 19459 1201 1 2 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.884 -0.081 19459 1202 1 2 . 1 1 97 97 ILE H H 97 9.661 9.661 8.477 1.184 19459 1203 1 2 . 1 1 98 98 GLY N N 98 116.731 116.731 106.980 9.751 19459 1204 1 2 . 1 1 98 98 GLY C C 98 176.923 176.923 173.881 3.042 19459 1205 1 2 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.703 -0.639 19459 1206 1 2 . 1 1 98 98 GLY H H 98 8.465 8.465 7.837 0.628 19459 1207 1 2 . 1 1 99 99 SER N N 99 116.632 116.632 116.832 -0.200 19459 1208 1 2 . 1 1 99 99 SER HA H 99 4.509 4.509 4.510 -0.001 19459 1209 1 2 . 1 1 99 99 SER C C 99 175.013 175.013 174.203 0.810 19459 1210 1 2 . 1 1 99 99 SER CA C 99 58.328 58.328 58.770 -0.442 19459 1211 1 2 . 1 1 99 99 SER CB C 99 63.996 63.996 63.870 0.126 19459 1212 1 2 . 1 1 99 99 SER H H 99 8.759 8.759 8.616 0.143 19459 1213 1 2 . 1 1 100 100 SER N N 100 116.696 116.696 118.414 -1.718 19459 1214 1 2 . 1 1 100 100 SER HA H 100 4.447 4.447 4.632 -0.185 19459 1215 1 2 . 1 1 100 100 SER C C 100 175.403 175.403 174.197 1.206 19459 1216 1 2 . 1 1 100 100 SER CA C 100 59.209 59.209 59.694 -0.485 19459 1217 1 2 . 1 1 100 100 SER CB C 100 64.035 64.035 64.043 -0.008 19459 1218 1 2 . 1 1 100 100 SER H H 100 8.617 8.617 8.789 -0.172 19459 1219 1 2 . 1 1 101 101 SER N N 101 115.247 115.247 115.008 0.239 19459 1220 1 2 . 1 1 101 101 SER HA H 101 5.346 5.346 5.541 -0.195 19459 1221 1 2 . 1 1 101 101 SER C C 101 176.888 176.888 173.312 3.576 19459 1222 1 2 . 1 1 101 101 SER CA C 101 57.021 57.021 56.787 0.234 19459 1223 1 2 . 1 1 101 101 SER CB C 101 66.391 66.391 65.507 0.884 19459 1224 1 2 . 1 1 101 101 SER H H 101 7.952 7.952 7.553 0.399 19459 1225 1 2 . 1 1 102 102 ALA N N 102 121.438 121.438 128.004 -6.566 19459 1226 1 2 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.981 0.106 19459 1227 1 2 . 1 1 102 102 ALA C C 102 173.807 173.807 175.812 -2.005 19459 1228 1 2 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.652 1.171 19459 1229 1 2 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.466 1.605 19459 1230 1 2 . 1 1 102 102 ALA H H 102 8.286 8.286 8.481 -0.195 19459 1231 1 2 . 1 1 103 103 THR N N 103 118.007 118.007 118.360 -0.353 19459 1232 1 2 . 1 1 103 103 THR HA H 103 5.560 5.560 5.349 0.211 19459 1233 1 2 . 1 1 103 103 THR C C 103 176.159 176.159 173.789 2.370 19459 1234 1 2 . 1 1 103 103 THR CA C 103 61.342 61.342 62.043 -0.701 19459 1235 1 2 . 1 1 103 103 THR CB C 103 71.171 71.171 70.868 0.303 19459 1236 1 2 . 1 1 103 103 THR H H 103 9.636 9.636 9.636 0.000 19459 1237 1 2 . 1 1 104 104 CYS N N 104 127.602 127.602 128.808 -1.206 19459 1238 1 2 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.133 -0.767 19459 1239 1 2 . 1 1 104 104 CYS C C 104 174.892 174.892 173.600 1.292 19459 1240 1 2 . 1 1 104 104 CYS CA C 104 55.479 55.479 56.814 -1.335 19459 1241 1 2 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.948 12.237 19459 1242 1 2 . 1 1 104 104 CYS H H 104 8.338 8.338 8.819 -0.481 19459 1243 1 2 . 1 1 105 105 ILE N N 105 126.775 126.775 124.404 2.371 19459 1244 1 2 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.147 -0.238 19459 1245 1 2 . 1 1 105 105 ILE C C 105 174.390 174.390 173.728 0.662 19459 1246 1 2 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.728 1.493 19459 1247 1 2 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.430 1.092 19459 1248 1 2 . 1 1 105 105 ILE H H 105 9.375 9.375 9.187 0.188 19459 1249 1 2 . 1 1 106 106 ILE N N 106 118.256 118.256 122.324 -4.068 19459 1250 1 2 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.085 -0.015 19459 1251 1 2 . 1 1 106 106 ILE C C 106 172.560 172.560 176.162 -3.602 19459 1252 1 2 . 1 1 106 106 ILE CA C 106 61.889 61.889 59.849 2.040 19459 1253 1 2 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.998 2.688 19459 1254 1 2 . 1 1 106 106 ILE H H 106 8.041 8.041 8.364 -0.323 19459 1255 1 2 . 1 1 107 107 SER N N 107 120.167 120.167 123.118 -2.951 19459 1256 1 2 . 1 1 107 107 SER HA H 107 4.376 4.376 4.530 -0.154 19459 1257 1 2 . 1 1 107 107 SER C C 107 174.594 174.594 175.252 -0.658 19459 1258 1 2 . 1 1 107 107 SER CA C 107 57.111 57.111 58.421 -1.310 19459 1259 1 2 . 1 1 107 107 SER CB C 107 63.835 63.835 64.022 -0.187 19459 1260 1 2 . 1 1 107 107 SER H H 107 8.013 8.013 8.960 -0.947 19459 1261 1 2 . 1 1 108 108 GLY N N 108 119.089 119.089 109.609 9.480 19459 1262 1 2 . 1 1 108 108 GLY C C 108 174.665 174.665 174.819 -0.154 19459 1263 1 2 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.310 2.178 19459 1264 1 2 . 1 1 108 108 GLY H H 108 9.116 9.116 7.557 1.559 19459 1265 1 2 . 1 1 109 109 ASP N N 109 127.143 127.143 121.076 6.067 19459 1266 1 2 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.525 0.236 19459 1267 1 2 . 1 1 109 109 ASP C C 109 173.724 173.724 176.219 -2.495 19459 1268 1 2 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.949 -2.225 19459 1269 1 2 . 1 1 109 109 ASP CB C 109 41.232 41.232 40.727 0.505 19459 1270 1 2 . 1 1 109 109 ASP H H 109 8.845 8.845 8.482 0.363 19459 1271 1 2 . 1 1 110 110 THR N N 110 115.044 115.044 111.225 3.819 19459 1272 1 2 . 1 1 110 110 THR HA H 110 4.663 4.663 4.456 0.207 19459 1273 1 2 . 1 1 110 110 THR C C 110 175.636 175.636 172.389 3.247 19459 1274 1 2 . 1 1 110 110 THR CA C 110 58.612 58.612 60.865 -2.253 19459 1275 1 2 . 1 1 110 110 THR CB C 110 71.146 71.146 70.563 0.583 19459 1276 1 2 . 1 1 110 110 THR H H 110 8.134 8.134 7.327 0.807 19459 1277 1 2 . 1 1 111 111 VAL N N 111 115.728 115.728 118.088 -2.360 19459 1278 1 2 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.126 0.189 19459 1279 1 2 . 1 1 111 111 VAL C C 111 174.752 174.752 174.350 0.402 19459 1280 1 2 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.929 -1.288 19459 1281 1 2 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.915 0.909 19459 1282 1 2 . 1 1 111 111 VAL H H 111 8.310 8.310 8.451 -0.141 19459 1283 1 2 . 1 1 112 112 ILE N N 112 117.116 117.116 118.137 -1.021 19459 1284 1 2 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.743 -0.237 19459 1285 1 2 . 1 1 112 112 ILE C C 112 174.637 174.637 174.436 0.201 19459 1286 1 2 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.080 0.415 19459 1287 1 2 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.858 1.333 19459 1288 1 2 . 1 1 112 112 ILE H H 112 8.945 8.945 8.361 0.584 19459 1289 1 2 . 1 1 113 113 TRP N N 113 121.755 121.755 122.461 -0.706 19459 1290 1 2 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.139 -0.032 19459 1291 1 2 . 1 1 113 113 TRP C C 113 170.413 170.413 176.689 -6.276 19459 1292 1 2 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.608 -0.231 19459 1293 1 2 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.239 -0.943 19459 1294 1 2 . 1 1 113 113 TRP H H 113 7.567 7.567 8.484 -0.917 19459 1295 1 2 . 1 1 114 114 ASP N N 114 123.286 123.286 120.234 3.052 19459 1296 1 2 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.574 -0.367 19459 1297 1 2 . 1 1 114 114 ASP C C 114 174.083 174.083 176.214 -2.131 19459 1298 1 2 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.577 0.824 19459 1299 1 2 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.443 -0.294 19459 1300 1 2 . 1 1 114 114 ASP H H 114 9.451 9.451 8.670 0.781 19459 1301 1 2 . 1 1 115 115 GLN N N 115 116.139 116.139 118.780 -2.641 19459 1302 1 2 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.235 0.510 19459 1303 1 2 . 1 1 115 115 GLN C C 115 173.639 173.639 176.294 -2.655 19459 1304 1 2 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.440 -3.257 19459 1305 1 2 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.045 3.278 19459 1306 1 2 . 1 1 115 115 GLN H H 115 7.305 7.305 7.775 -0.470 19459 1307 1 2 . 1 1 116 116 GLU N N 116 120.881 120.881 123.212 -2.331 19459 1308 1 2 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.233 0.097 19459 1309 1 2 . 1 1 116 116 GLU C C 116 173.578 173.578 176.768 -3.190 19459 1310 1 2 . 1 1 116 116 GLU CA C 116 55.157 55.157 57.934 -2.776 19459 1311 1 2 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.231 -0.016 19459 1312 1 2 . 1 1 116 116 GLU H H 116 8.615 8.615 8.966 -0.351 19459 1313 1 2 . 1 1 117 117 THR N N 117 119.889 119.889 110.565 9.324 19459 1314 1 2 . 1 1 117 117 THR HA H 117 3.609 3.609 4.352 -0.743 19459 1315 1 2 . 1 1 117 117 THR C C 117 176.699 176.699 171.745 4.954 19459 1316 1 2 . 1 1 117 117 THR CA C 117 61.757 61.757 60.674 1.083 19459 1317 1 2 . 1 1 117 117 THR CB C 117 69.799 69.799 69.581 0.218 19459 1318 1 2 . 1 1 117 117 THR H H 117 8.075 8.075 7.518 0.557 19459 1319 1 2 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.252 0.280 19459 1320 1 2 . 1 1 118 118 PRO C C 118 175.300 175.300 175.764 -0.464 19459 1321 1 2 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.972 -0.612 19459 1322 1 2 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.998 0.889 19459 1323 1 2 . 1 1 119 119 ILE N N 119 114.729 114.729 120.777 -6.048 19459 1324 1 2 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.291 -0.004 19459 1325 1 2 . 1 1 119 119 ILE C C 119 174.748 174.748 174.485 0.263 19459 1326 1 2 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.412 -1.170 19459 1327 1 2 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.974 -0.790 19459 1328 1 2 . 1 1 119 119 ILE H H 119 7.874 7.874 7.571 0.303 19459 1329 1 2 . 1 1 120 120 CYS N N 120 123.444 123.444 124.817 -1.373 19459 1330 1 2 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.808 0.742 19459 1331 1 2 . 1 1 120 120 CYS C C 120 175.583 175.583 174.900 0.683 19459 1332 1 2 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.546 -4.852 19459 1333 1 2 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.902 13.548 19459 1334 1 2 . 1 1 120 120 CYS H H 120 8.583 8.583 8.442 0.141 19459 1335 1 2 . 1 1 121 121 ASP N N 121 124.459 124.459 125.119 -0.660 19459 1336 1 2 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.504 0.803 19459 1337 1 2 . 1 1 121 121 ASP C C 121 174.495 174.495 176.260 -1.765 19459 1338 1 2 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.458 -3.241 19459 1339 1 2 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.728 2.675 19459 1340 1 2 . 1 1 121 121 ASP H H 121 9.309 9.309 8.859 0.450 19459 1341 1 3 . 1 1 2 2 CYS N N 2 117.967 117.967 118.914 -0.947 19459 1342 1 3 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.481 0.046 19459 1343 1 3 . 1 1 2 2 CYS C C 2 174.023 174.023 175.609 -1.586 19459 1344 1 3 . 1 1 2 2 CYS CA C 2 58.972 58.972 60.029 -1.057 19459 1345 1 3 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.567 17.492 19459 1346 1 3 . 1 1 2 2 CYS H H 2 9.327 9.327 8.126 1.201 19459 1347 1 3 . 1 1 3 3 ASN N N 3 119.722 119.722 117.223 2.499 19459 1348 1 3 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.385 0.864 19459 1349 1 3 . 1 1 3 3 ASN C C 3 175.027 175.027 174.458 0.569 19459 1350 1 3 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.746 -1.233 19459 1351 1 3 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.827 1.816 19459 1352 1 3 . 1 1 3 3 ASN H H 3 8.686 8.686 8.692 -0.006 19459 1353 1 3 . 1 1 4 4 ALA N N 4 122.403 122.403 118.680 3.723 19459 1354 1 3 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.544 -0.115 19459 1355 1 3 . 1 1 4 4 ALA C C 4 173.517 173.517 175.989 -2.472 19459 1356 1 3 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.668 -0.855 19459 1357 1 3 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.587 -1.600 19459 1358 1 3 . 1 1 4 4 ALA H H 4 8.401 8.401 8.019 0.382 19459 1359 1 3 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.639 -0.731 19459 1360 1 3 . 1 1 5 5 PRO C C 5 172.806 172.806 176.755 -3.949 19459 1361 1 3 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.216 -1.766 19459 1362 1 3 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.074 -0.522 19459 1363 1 3 . 1 1 6 6 GLU N N 6 121.296 121.296 113.318 7.978 19459 1364 1 3 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.376 -0.185 19459 1365 1 3 . 1 1 6 6 GLU C C 6 172.835 172.835 174.116 -1.281 19459 1366 1 3 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.777 0.398 19459 1367 1 3 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.396 0.568 19459 1368 1 3 . 1 1 6 6 GLU H H 6 8.443 8.443 7.783 0.660 19459 1369 1 3 . 1 1 7 7 TRP N N 7 124.746 124.746 123.007 1.739 19459 1370 1 3 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.710 -0.778 19459 1371 1 3 . 1 1 7 7 TRP C C 7 174.236 174.236 174.969 -0.733 19459 1372 1 3 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.948 2.964 19459 1373 1 3 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.748 -0.715 19459 1374 1 3 . 1 1 7 7 TRP H H 7 8.674 8.674 8.488 0.186 19459 1375 1 3 . 1 1 8 8 LEU N N 8 125.782 125.782 131.556 -5.774 19459 1376 1 3 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.170 0.386 19459 1377 1 3 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.975 -0.010 19459 1378 1 3 . 1 1 8 8 LEU CB C 8 42.893 42.893 42.598 0.295 19459 1379 1 3 . 1 1 8 8 LEU H H 8 7.922 7.922 8.004 -0.082 19459 1380 1 3 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.085 0.513 19459 1381 1 3 . 1 1 9 9 PRO C C 9 172.961 172.961 176.125 -3.164 19459 1382 1 3 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.998 -0.458 19459 1383 1 3 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.346 0.091 19459 1384 1 3 . 1 1 10 10 PHE N N 10 106.863 106.863 110.910 -4.047 19459 1385 1 3 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.635 -1.026 19459 1386 1 3 . 1 1 10 10 PHE C C 10 175.535 175.535 173.847 1.688 19459 1387 1 3 . 1 1 10 10 PHE CA C 10 53.857 53.857 54.722 -0.865 19459 1388 1 3 . 1 1 10 10 PHE CB C 10 40.775 40.775 38.076 2.699 19459 1389 1 3 . 1 1 10 10 PHE H H 10 5.588 5.588 6.533 -0.945 19459 1390 1 3 . 1 1 11 11 ALA N N 11 121.214 121.214 122.227 -1.013 19459 1391 1 3 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.274 -0.131 19459 1392 1 3 . 1 1 11 11 ALA C C 11 175.918 175.918 175.383 0.535 19459 1393 1 3 . 1 1 11 11 ALA CA C 11 51.868 51.868 51.145 0.723 19459 1394 1 3 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.458 2.272 19459 1395 1 3 . 1 1 11 11 ALA H H 11 6.349 6.349 7.102 -0.753 19459 1396 1 3 . 1 1 12 12 ARG N N 12 117.160 117.160 121.351 -4.191 19459 1397 1 3 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.782 -0.085 19459 1398 1 3 . 1 1 12 12 ARG C C 12 178.499 178.499 173.314 5.185 19459 1399 1 3 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.200 1.665 19459 1400 1 3 . 1 1 12 12 ARG H H 12 9.219 9.219 7.930 1.289 19459 1401 1 3 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.523 -0.854 19459 1402 1 3 . 1 1 13 13 PRO C C 13 171.555 171.555 177.227 -5.672 19459 1403 1 3 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.017 -0.637 19459 1404 1 3 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.990 -0.442 19459 1405 1 3 . 1 1 14 14 THR N N 14 112.823 112.823 111.006 1.817 19459 1406 1 3 . 1 1 14 14 THR HA H 14 3.905 3.905 4.228 -0.323 19459 1407 1 3 . 1 1 14 14 THR C C 14 174.364 174.364 175.410 -1.046 19459 1408 1 3 . 1 1 14 14 THR CA C 14 63.180 63.180 63.409 -0.229 19459 1409 1 3 . 1 1 14 14 THR CB C 14 68.154 68.154 68.952 -0.798 19459 1410 1 3 . 1 1 14 14 THR H H 14 8.062 8.062 8.179 -0.117 19459 1411 1 3 . 1 1 15 15 GLN N N 15 119.736 119.736 117.816 1.920 19459 1412 1 3 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.444 0.057 19459 1413 1 3 . 1 1 15 15 GLN C C 15 174.815 174.815 176.044 -1.229 19459 1414 1 3 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.824 -2.457 19459 1415 1 3 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.313 1.803 19459 1416 1 3 . 1 1 15 15 GLN H H 15 7.758 7.758 7.736 0.022 19459 1417 1 3 . 1 1 16 16 LEU N N 16 124.583 124.583 120.476 4.107 19459 1418 1 3 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.022 0.339 19459 1419 1 3 . 1 1 16 16 LEU C C 16 172.167 172.167 178.283 -6.116 19459 1420 1 3 . 1 1 16 16 LEU CA C 16 55.297 55.297 58.111 -2.814 19459 1421 1 3 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.783 0.251 19459 1422 1 3 . 1 1 16 16 LEU H H 16 8.458 8.458 7.937 0.521 19459 1423 1 3 . 1 1 17 17 THR N N 17 116.730 116.730 113.175 3.555 19459 1424 1 3 . 1 1 17 17 THR HA H 17 4.633 4.633 3.716 0.917 19459 1425 1 3 . 1 1 17 17 THR C C 17 175.703 175.703 175.173 0.530 19459 1426 1 3 . 1 1 17 17 THR CA C 17 60.358 60.358 65.445 -5.088 19459 1427 1 3 . 1 1 17 17 THR CB C 17 70.110 70.110 68.315 1.795 19459 1428 1 3 . 1 1 17 17 THR H H 17 8.325 8.325 8.067 0.258 19459 1429 1 3 . 1 1 18 18 ASP N N 18 122.839 122.839 118.802 4.037 19459 1430 1 3 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.840 -0.098 19459 1431 1 3 . 1 1 18 18 ASP C C 18 173.642 173.642 175.872 -2.230 19459 1432 1 3 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.923 -1.710 19459 1433 1 3 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.441 -1.519 19459 1434 1 3 . 1 1 18 18 ASP H H 18 8.487 8.487 7.955 0.532 19459 1435 1 3 . 1 1 19 19 GLU N N 19 120.523 120.523 118.353 2.170 19459 1436 1 3 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.281 -0.208 19459 1437 1 3 . 1 1 19 19 GLU C C 19 174.249 174.249 177.660 -3.411 19459 1438 1 3 . 1 1 19 19 GLU CA C 19 56.150 56.150 57.059 -0.909 19459 1439 1 3 . 1 1 19 19 GLU CB C 19 29.343 29.343 31.072 -1.729 19459 1440 1 3 . 1 1 19 19 GLU H H 19 7.931 7.931 7.197 0.734 19459 1441 1 3 . 1 1 20 20 PHE N N 20 118.500 118.500 112.866 5.634 19459 1442 1 3 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.180 0.566 19459 1443 1 3 . 1 1 20 20 PHE C C 20 174.885 174.885 174.033 0.852 19459 1444 1 3 . 1 1 20 20 PHE CA C 20 57.514 57.514 60.873 -3.359 19459 1445 1 3 . 1 1 20 20 PHE CB C 20 40.483 40.483 37.833 2.650 19459 1446 1 3 . 1 1 20 20 PHE H H 20 8.279 8.279 7.719 0.560 19459 1447 1 3 . 1 1 21 21 GLU N N 21 117.080 117.080 121.001 -3.921 19459 1448 1 3 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.627 0.383 19459 1449 1 3 . 1 1 21 21 GLU C C 21 174.900 174.900 175.478 -0.578 19459 1450 1 3 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.502 -1.229 19459 1451 1 3 . 1 1 21 21 GLU CB C 21 31.373 31.373 30.249 1.124 19459 1452 1 3 . 1 1 21 21 GLU H H 21 7.022 7.022 7.605 -0.583 19459 1453 1 3 . 1 1 22 22 PHE N N 22 119.655 119.655 122.061 -2.406 19459 1454 1 3 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.961 0.008 19459 1455 1 3 . 1 1 22 22 PHE C C 22 176.708 176.708 173.194 3.514 19459 1456 1 3 . 1 1 22 22 PHE CA C 22 54.776 54.776 54.958 -0.182 19459 1457 1 3 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.389 -0.643 19459 1458 1 3 . 1 1 22 22 PHE H H 22 8.974 8.974 8.403 0.571 19459 1459 1 3 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.675 -0.087 19459 1460 1 3 . 1 1 23 23 PRO C C 23 171.163 171.163 176.715 -5.552 19459 1461 1 3 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.475 -0.058 19459 1462 1 3 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.118 0.537 19459 1463 1 3 . 1 1 24 24 ILE N N 24 123.238 123.238 121.835 1.403 19459 1464 1 3 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.758 -0.348 19459 1465 1 3 . 1 1 24 24 ILE C C 24 172.283 172.283 177.568 -5.285 19459 1466 1 3 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.579 1.467 19459 1467 1 3 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.624 -0.175 19459 1468 1 3 . 1 1 24 24 ILE H H 24 8.199 8.199 8.629 -0.430 19459 1469 1 3 . 1 1 25 25 GLY N N 25 115.962 115.962 114.449 1.513 19459 1470 1 3 . 1 1 25 25 GLY C C 25 174.927 174.927 174.137 0.790 19459 1471 1 3 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.969 -0.546 19459 1472 1 3 . 1 1 25 25 GLY H H 25 9.061 9.061 8.558 0.503 19459 1473 1 3 . 1 1 26 26 THR N N 26 117.152 117.152 117.023 0.129 19459 1474 1 3 . 1 1 26 26 THR HA H 26 4.081 4.081 4.797 -0.716 19459 1475 1 3 . 1 1 26 26 THR C C 26 176.723 176.723 173.418 3.305 19459 1476 1 3 . 1 1 26 26 THR CA C 26 65.711 65.711 61.641 4.070 19459 1477 1 3 . 1 1 26 26 THR CB C 26 70.084 70.084 71.115 -1.031 19459 1478 1 3 . 1 1 26 26 THR H H 26 7.704 7.704 7.411 0.293 19459 1479 1 3 . 1 1 27 27 TYR N N 27 125.094 125.094 125.953 -0.859 19459 1480 1 3 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.890 0.902 19459 1481 1 3 . 1 1 27 27 TYR C C 27 173.835 173.835 175.696 -1.861 19459 1482 1 3 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.323 -2.460 19459 1483 1 3 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.513 1.363 19459 1484 1 3 . 1 1 27 27 TYR H H 27 8.542 8.542 8.810 -0.268 19459 1485 1 3 . 1 1 28 28 LEU N N 28 120.714 120.714 123.632 -2.918 19459 1486 1 3 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.574 0.210 19459 1487 1 3 . 1 1 28 28 LEU C C 28 172.808 172.808 175.990 -3.182 19459 1488 1 3 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.201 -0.018 19459 1489 1 3 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.446 0.492 19459 1490 1 3 . 1 1 28 28 LEU H H 28 9.000 9.000 8.010 0.990 19459 1491 1 3 . 1 1 29 29 ASN N N 29 121.617 121.617 119.662 1.955 19459 1492 1 3 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.716 0.184 19459 1493 1 3 . 1 1 29 29 ASN C C 29 174.783 174.783 174.070 0.713 19459 1494 1 3 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.799 1.433 19459 1495 1 3 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.627 0.564 19459 1496 1 3 . 1 1 29 29 ASN H H 29 8.544 8.544 8.517 0.027 19459 1497 1 3 . 1 1 30 30 TYR N N 30 126.738 126.738 124.938 1.800 19459 1498 1 3 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.625 0.061 19459 1499 1 3 . 1 1 30 30 TYR C C 30 174.911 174.911 174.170 0.741 19459 1500 1 3 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.240 -0.339 19459 1501 1 3 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.890 3.952 19459 1502 1 3 . 1 1 30 30 TYR H H 30 9.324 9.324 7.724 1.600 19459 1503 1 3 . 1 1 31 31 GLU N N 31 114.116 114.116 121.702 -7.586 19459 1504 1 3 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.606 0.104 19459 1505 1 3 . 1 1 31 31 GLU C C 31 173.694 173.694 174.419 -0.725 19459 1506 1 3 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.303 -1.184 19459 1507 1 3 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.349 -0.723 19459 1508 1 3 . 1 1 31 31 GLU H H 31 8.553 8.553 8.282 0.271 19459 1509 1 3 . 1 1 32 32 CYS N N 32 121.086 121.086 121.327 -0.241 19459 1510 1 3 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.321 -0.270 19459 1511 1 3 . 1 1 32 32 CYS C C 32 173.553 173.553 176.161 -2.608 19459 1512 1 3 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.024 -3.544 19459 1513 1 3 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.234 9.253 19459 1514 1 3 . 1 1 32 32 CYS H H 32 9.784 9.784 8.760 1.024 19459 1515 1 3 . 1 1 33 33 ARG N N 33 123.418 123.418 122.491 0.927 19459 1516 1 3 . 1 1 33 33 ARG C C 33 176.822 176.822 174.825 1.997 19459 1517 1 3 . 1 1 33 33 ARG CA C 33 56.311 56.311 56.250 0.061 19459 1518 1 3 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.918 -0.575 19459 1519 1 3 . 1 1 33 33 ARG H H 33 7.898 7.898 8.569 -0.671 19459 1520 1 3 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.434 -0.054 19459 1521 1 3 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.872 0.183 19459 1522 1 3 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.907 -0.573 19459 1523 1 3 . 1 1 35 35 GLY N N 35 111.039 111.039 109.722 1.317 19459 1524 1 3 . 1 1 35 35 GLY C C 35 177.546 177.546 174.385 3.161 19459 1525 1 3 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.861 -0.962 19459 1526 1 3 . 1 1 35 35 GLY H H 35 8.378 8.378 8.632 -0.254 19459 1527 1 3 . 1 1 36 36 TYR N N 36 116.682 116.682 119.647 -2.965 19459 1528 1 3 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.530 0.491 19459 1529 1 3 . 1 1 36 36 TYR C C 36 174.005 174.005 176.061 -2.056 19459 1530 1 3 . 1 1 36 36 TYR CA C 36 56.495 56.495 59.065 -2.570 19459 1531 1 3 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.000 1.981 19459 1532 1 3 . 1 1 36 36 TYR H H 36 8.175 8.175 7.540 0.635 19459 1533 1 3 . 1 1 37 37 SER N N 37 115.855 115.855 119.188 -3.333 19459 1534 1 3 . 1 1 37 37 SER HA H 37 4.819 4.819 4.565 0.254 19459 1535 1 3 . 1 1 37 37 SER C C 37 175.442 175.442 174.626 0.816 19459 1536 1 3 . 1 1 37 37 SER CA C 37 56.534 56.534 57.878 -1.344 19459 1537 1 3 . 1 1 37 37 SER CB C 37 65.642 65.642 64.287 1.355 19459 1538 1 3 . 1 1 37 37 SER H H 37 9.711 9.711 8.975 0.736 19459 1539 1 3 . 1 1 38 38 GLY N N 38 113.435 113.435 108.291 5.144 19459 1540 1 3 . 1 1 38 38 GLY C C 38 175.876 175.876 173.262 2.614 19459 1541 1 3 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.975 0.293 19459 1542 1 3 . 1 1 38 38 GLY H H 38 8.288 8.288 8.294 -0.006 19459 1543 1 3 . 1 1 39 39 ARG N N 39 124.199 124.199 121.228 2.971 19459 1544 1 3 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.869 -0.130 19459 1545 1 3 . 1 1 39 39 ARG C C 39 175.413 175.413 174.008 1.405 19459 1546 1 3 . 1 1 39 39 ARG CA C 39 54.740 54.740 53.045 1.694 19459 1547 1 3 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.686 -1.052 19459 1548 1 3 . 1 1 39 39 ARG H H 39 8.350 8.350 8.450 -0.100 19459 1549 1 3 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.539 0.119 19459 1550 1 3 . 1 1 40 40 PRO C C 40 173.702 173.702 176.005 -2.303 19459 1551 1 3 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.916 1.554 19459 1552 1 3 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.193 -0.005 19459 1553 1 3 . 1 1 41 41 PHE N N 41 118.388 118.388 122.103 -3.715 19459 1554 1 3 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.650 0.513 19459 1555 1 3 . 1 1 41 41 PHE C C 41 176.886 176.886 174.217 2.669 19459 1556 1 3 . 1 1 41 41 PHE CA C 41 55.566 55.566 58.567 -3.001 19459 1557 1 3 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.366 -0.102 19459 1558 1 3 . 1 1 41 41 PHE H H 41 8.017 8.017 8.441 -0.424 19459 1559 1 3 . 1 1 42 42 SER N N 42 114.056 114.056 113.901 0.155 19459 1560 1 3 . 1 1 42 42 SER HA H 42 5.771 5.771 5.621 0.150 19459 1561 1 3 . 1 1 42 42 SER C C 42 174.978 174.978 173.240 1.738 19459 1562 1 3 . 1 1 42 42 SER CA C 42 56.668 56.668 56.558 0.110 19459 1563 1 3 . 1 1 42 42 SER CB C 42 66.152 66.152 67.010 -0.857 19459 1564 1 3 . 1 1 42 42 SER H H 42 8.540 8.540 8.021 0.519 19459 1565 1 3 . 1 1 43 43 ILE N N 43 115.669 115.669 118.784 -3.115 19459 1566 1 3 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.509 0.556 19459 1567 1 3 . 1 1 43 43 ILE C C 43 174.535 174.535 174.603 -0.068 19459 1568 1 3 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.044 -0.000 19459 1569 1 3 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.860 0.495 19459 1570 1 3 . 1 1 43 43 ILE H H 43 8.637 8.637 7.890 0.747 19459 1571 1 3 . 1 1 44 44 ILE N N 44 120.215 120.215 124.128 -3.913 19459 1572 1 3 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.948 0.338 19459 1573 1 3 . 1 1 44 44 ILE C C 44 174.033 174.033 177.652 -3.619 19459 1574 1 3 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.132 0.524 19459 1575 1 3 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.422 1.908 19459 1576 1 3 . 1 1 44 44 ILE H H 44 8.687 8.687 7.868 0.819 19459 1577 1 3 . 1 1 45 45 CYS N N 45 126.257 126.257 127.398 -1.141 19459 1578 1 3 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.976 -0.224 19459 1579 1 3 . 1 1 45 45 CYS C C 45 174.946 174.946 176.294 -1.348 19459 1580 1 3 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.949 -4.883 19459 1581 1 3 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.595 15.016 19459 1582 1 3 . 1 1 45 45 CYS H H 45 7.993 7.993 8.884 -0.891 19459 1583 1 3 . 1 1 46 46 LEU N N 46 132.514 132.514 120.881 11.633 19459 1584 1 3 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.992 0.424 19459 1585 1 3 . 1 1 46 46 LEU C C 46 172.195 172.195 177.568 -5.373 19459 1586 1 3 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.232 -2.888 19459 1587 1 3 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.715 2.489 19459 1588 1 3 . 1 1 46 46 LEU H H 46 8.826 8.826 8.248 0.578 19459 1589 1 3 . 1 1 47 47 LYS N N 47 115.254 115.254 118.864 -3.610 19459 1590 1 3 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.295 -0.307 19459 1591 1 3 . 1 1 47 47 LYS C C 47 173.781 173.781 176.294 -2.513 19459 1592 1 3 . 1 1 47 47 LYS CA C 47 57.983 57.983 54.925 3.058 19459 1593 1 3 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.656 -1.448 19459 1594 1 3 . 1 1 47 47 LYS H H 47 7.949 7.949 7.770 0.179 19459 1595 1 3 . 1 1 48 48 ASN N N 48 115.283 115.283 124.684 -9.401 19459 1596 1 3 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.400 0.136 19459 1597 1 3 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.826 -0.286 19459 1598 1 3 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.297 -0.924 19459 1599 1 3 . 1 1 48 48 ASN H H 48 8.432 8.432 9.244 -0.812 19459 1600 1 3 . 1 1 49 49 SER N N 49 110.595 110.595 108.423 2.172 19459 1601 1 3 . 1 1 49 49 SER HA H 49 3.969 3.969 4.121 -0.152 19459 1602 1 3 . 1 1 49 49 SER CA C 49 59.790 59.790 59.767 0.023 19459 1603 1 3 . 1 1 49 49 SER CB C 49 60.870 60.870 62.281 -1.411 19459 1604 1 3 . 1 1 49 49 SER H H 49 8.457 8.457 7.971 0.486 19459 1605 1 3 . 1 1 50 50 VAL N N 50 117.680 117.680 117.423 0.257 19459 1606 1 3 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.973 0.360 19459 1607 1 3 . 1 1 50 50 VAL C C 50 175.347 175.347 175.855 -0.508 19459 1608 1 3 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.699 -3.815 19459 1609 1 3 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.961 1.876 19459 1610 1 3 . 1 1 50 50 VAL H H 50 6.840 6.840 7.647 -0.807 19459 1611 1 3 . 1 1 51 51 TRP N N 51 123.510 123.510 116.108 7.402 19459 1612 1 3 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.048 0.274 19459 1613 1 3 . 1 1 51 51 TRP C C 51 170.736 170.736 176.801 -6.065 19459 1614 1 3 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.711 -0.774 19459 1615 1 3 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.598 -1.807 19459 1616 1 3 . 1 1 51 51 TRP H H 51 8.310 8.310 7.567 0.743 19459 1617 1 3 . 1 1 52 52 THR N N 52 115.962 115.962 112.799 3.163 19459 1618 1 3 . 1 1 52 52 THR HA H 52 4.656 4.656 4.147 0.509 19459 1619 1 3 . 1 1 52 52 THR C C 52 175.780 175.780 175.492 0.288 19459 1620 1 3 . 1 1 52 52 THR CA C 52 61.376 61.376 64.135 -2.759 19459 1621 1 3 . 1 1 52 52 THR CB C 52 70.723 70.723 69.395 1.328 19459 1622 1 3 . 1 1 52 52 THR H H 52 9.026 9.026 8.361 0.665 19459 1623 1 3 . 1 1 53 53 GLY N N 53 108.521 108.521 108.553 -0.032 19459 1624 1 3 . 1 1 53 53 GLY C C 53 174.881 174.881 173.599 1.282 19459 1625 1 3 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.590 0.754 19459 1626 1 3 . 1 1 53 53 GLY H H 53 8.292 8.292 7.687 0.605 19459 1627 1 3 . 1 1 54 54 ALA N N 54 121.857 121.857 122.225 -0.368 19459 1628 1 3 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.094 0.059 19459 1629 1 3 . 1 1 54 54 ALA C C 54 172.786 172.786 177.779 -4.993 19459 1630 1 3 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.895 -1.198 19459 1631 1 3 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.861 0.853 19459 1632 1 3 . 1 1 54 54 ALA H H 54 8.443 8.443 8.222 0.221 19459 1633 1 3 . 1 1 55 55 LYS N N 55 118.318 118.318 119.527 -1.209 19459 1634 1 3 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.209 -0.465 19459 1635 1 3 . 1 1 55 55 LYS C C 55 172.519 172.519 176.360 -3.841 19459 1636 1 3 . 1 1 55 55 LYS CA C 55 57.944 57.944 57.426 0.518 19459 1637 1 3 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.661 -0.029 19459 1638 1 3 . 1 1 55 55 LYS H H 55 7.612 7.612 7.782 -0.170 19459 1639 1 3 . 1 1 56 56 ASP N N 56 119.214 119.214 120.222 -1.008 19459 1640 1 3 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.154 -0.037 19459 1641 1 3 . 1 1 56 56 ASP C C 56 173.700 173.700 176.020 -2.320 19459 1642 1 3 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.716 -0.332 19459 1643 1 3 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.264 -0.094 19459 1644 1 3 . 1 1 56 56 ASP H H 56 8.555 8.555 8.958 -0.403 19459 1645 1 3 . 1 1 57 57 ARG N N 57 116.006 116.006 115.770 0.236 19459 1646 1 3 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.104 -0.224 19459 1647 1 3 . 1 1 57 57 ARG C C 57 171.638 171.638 176.053 -4.415 19459 1648 1 3 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.732 -1.805 19459 1649 1 3 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.892 1.265 19459 1650 1 3 . 1 1 57 57 ARG H H 57 7.352 7.352 7.768 -0.416 19459 1651 1 3 . 1 1 58 58 CYS N N 58 115.000 115.000 115.209 -0.209 19459 1652 1 3 . 1 1 58 58 CYS HA H 58 5.574 5.574 5.632 -0.058 19459 1653 1 3 . 1 1 58 58 CYS C C 58 175.576 175.576 174.029 1.547 19459 1654 1 3 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.420 -4.568 19459 1655 1 3 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.857 14.719 19459 1656 1 3 . 1 1 58 58 CYS H H 58 7.587 7.587 7.721 -0.134 19459 1657 1 3 . 1 1 59 59 ARG N N 59 123.440 123.440 121.654 1.786 19459 1658 1 3 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.694 0.066 19459 1659 1 3 . 1 1 59 59 ARG C C 59 173.566 173.566 174.390 -0.824 19459 1660 1 3 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.571 -0.332 19459 1661 1 3 . 1 1 59 59 ARG CB C 59 32.802 32.802 34.073 -1.271 19459 1662 1 3 . 1 1 59 59 ARG H H 59 8.984 8.984 8.772 0.212 19459 1663 1 3 . 1 1 60 60 ARG N N 60 125.644 125.644 122.044 3.600 19459 1664 1 3 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.255 -0.604 19459 1665 1 3 . 1 1 60 60 ARG C C 60 172.119 172.119 175.205 -3.086 19459 1666 1 3 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.636 3.662 19459 1667 1 3 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.674 -0.406 19459 1668 1 3 . 1 1 60 60 ARG H H 60 9.163 9.163 8.485 0.678 19459 1669 1 3 . 1 1 61 61 LYS N N 61 124.217 124.217 123.145 1.072 19459 1670 1 3 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.243 -0.126 19459 1671 1 3 . 1 1 61 61 LYS C C 61 173.791 173.791 176.232 -2.441 19459 1672 1 3 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.856 1.342 19459 1673 1 3 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.672 1.542 19459 1674 1 3 . 1 1 61 61 LYS H H 61 8.601 8.601 8.259 0.342 19459 1675 1 3 . 1 1 62 62 SER N N 62 114.120 114.120 117.476 -3.356 19459 1676 1 3 . 1 1 62 62 SER HA H 62 4.765 4.765 4.485 0.280 19459 1677 1 3 . 1 1 62 62 SER C C 62 175.019 175.019 175.027 -0.008 19459 1678 1 3 . 1 1 62 62 SER CA C 62 58.227 58.227 58.559 -0.332 19459 1679 1 3 . 1 1 62 62 SER CB C 62 65.387 65.387 63.695 1.692 19459 1680 1 3 . 1 1 62 62 SER H H 62 8.494 8.494 8.378 0.116 19459 1681 1 3 . 1 1 63 63 CYS N N 63 122.858 122.858 124.691 -1.833 19459 1682 1 3 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.420 -0.352 19459 1683 1 3 . 1 1 63 63 CYS C C 63 176.076 176.076 174.040 2.036 19459 1684 1 3 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.638 2.629 19459 1685 1 3 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.184 11.584 19459 1686 1 3 . 1 1 63 63 CYS H H 63 8.359 8.359 8.208 0.151 19459 1687 1 3 . 1 1 64 64 ARG N N 64 118.145 118.145 120.607 -2.462 19459 1688 1 3 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.701 -0.535 19459 1689 1 3 . 1 1 64 64 ARG C C 64 173.077 173.077 174.025 -0.948 19459 1690 1 3 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.656 1.324 19459 1691 1 3 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.563 -2.104 19459 1692 1 3 . 1 1 64 64 ARG H H 64 8.496 8.496 8.628 -0.132 19459 1693 1 3 . 1 1 65 65 ASN N N 65 122.302 122.302 119.944 2.358 19459 1694 1 3 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.203 -0.469 19459 1695 1 3 . 1 1 65 65 ASN C C 65 175.117 175.117 174.203 0.914 19459 1696 1 3 . 1 1 65 65 ASN CA C 65 52.112 52.112 50.982 1.130 19459 1697 1 3 . 1 1 65 65 ASN CB C 65 38.367 38.367 38.701 -0.334 19459 1698 1 3 . 1 1 65 65 ASN H H 65 8.691 8.691 8.987 -0.296 19459 1699 1 3 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.356 0.127 19459 1700 1 3 . 1 1 67 67 PRO C C 67 172.228 172.228 176.532 -4.304 19459 1701 1 3 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.375 -1.709 19459 1702 1 3 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.819 0.668 19459 1703 1 3 . 1 1 68 68 ASP N N 68 118.184 118.184 118.167 0.017 19459 1704 1 3 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.364 0.278 19459 1705 1 3 . 1 1 68 68 ASP C C 68 173.951 173.951 173.945 0.006 19459 1706 1 3 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.243 -1.064 19459 1707 1 3 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.415 1.084 19459 1708 1 3 . 1 1 68 68 ASP H H 68 8.201 8.201 7.990 0.211 19459 1709 1 3 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.438 -0.202 19459 1710 1 3 . 1 1 69 69 PRO C C 69 172.350 172.350 177.639 -5.289 19459 1711 1 3 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.273 -0.362 19459 1712 1 3 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.485 -1.250 19459 1713 1 3 . 1 1 70 70 VAL N N 70 125.745 125.745 120.601 5.144 19459 1714 1 3 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.718 -0.059 19459 1715 1 3 . 1 1 70 70 VAL C C 70 171.231 171.231 177.112 -5.881 19459 1716 1 3 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.108 -0.444 19459 1717 1 3 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.544 -0.693 19459 1718 1 3 . 1 1 70 70 VAL H H 70 8.251 8.251 8.526 -0.275 19459 1719 1 3 . 1 1 71 71 ASN N N 71 119.702 119.702 116.417 3.285 19459 1720 1 3 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.766 -0.765 19459 1721 1 3 . 1 1 71 71 ASN C C 71 176.167 176.167 175.547 0.620 19459 1722 1 3 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.861 2.659 19459 1723 1 3 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.367 -2.125 19459 1724 1 3 . 1 1 71 71 ASN H H 71 8.994 8.994 8.269 0.725 19459 1725 1 3 . 1 1 72 72 GLY N N 72 104.254 104.254 107.522 -3.268 19459 1726 1 3 . 1 1 72 72 GLY C C 72 177.732 177.732 173.880 3.852 19459 1727 1 3 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.784 1.314 19459 1728 1 3 . 1 1 72 72 GLY H H 72 7.637 7.637 7.905 -0.268 19459 1729 1 3 . 1 1 73 73 MET N N 73 116.529 116.529 119.390 -2.861 19459 1730 1 3 . 1 1 73 73 MET HA H 73 4.887 4.887 4.747 0.140 19459 1731 1 3 . 1 1 73 73 MET C C 73 175.128 175.128 174.139 0.989 19459 1732 1 3 . 1 1 73 73 MET CA C 73 54.890 54.890 54.056 0.834 19459 1733 1 3 . 1 1 73 73 MET CB C 73 36.837 36.837 30.853 5.984 19459 1734 1 3 . 1 1 73 73 MET H H 73 8.819 8.819 8.004 0.815 19459 1735 1 3 . 1 1 74 74 VAL N N 74 122.511 122.511 122.483 0.028 19459 1736 1 3 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.965 -0.362 19459 1737 1 3 . 1 1 74 74 VAL C C 74 176.573 176.573 174.571 2.002 19459 1738 1 3 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.023 -0.014 19459 1739 1 3 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.753 -0.251 19459 1740 1 3 . 1 1 74 74 VAL H H 74 8.796 8.796 7.959 0.837 19459 1741 1 3 . 1 1 75 75 HIS N N 75 125.200 125.200 126.279 -1.079 19459 1742 1 3 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.777 -0.063 19459 1743 1 3 . 1 1 75 75 HIS C C 75 175.500 175.500 173.527 1.973 19459 1744 1 3 . 1 1 75 75 HIS CA C 75 53.685 53.685 53.987 -0.302 19459 1745 1 3 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.508 -4.500 19459 1746 1 3 . 1 1 75 75 HIS H H 75 8.977 8.977 8.146 0.831 19459 1747 1 3 . 1 1 76 76 VAL N N 76 127.456 127.456 123.388 4.068 19459 1748 1 3 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.228 -0.056 19459 1749 1 3 . 1 1 76 76 VAL C C 76 173.257 173.257 174.898 -1.641 19459 1750 1 3 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.386 0.812 19459 1751 1 3 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.489 -1.149 19459 1752 1 3 . 1 1 76 76 VAL H H 76 8.926 8.926 8.527 0.399 19459 1753 1 3 . 1 1 77 77 ILE N N 77 126.756 126.756 129.570 -2.814 19459 1754 1 3 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.902 0.249 19459 1755 1 3 . 1 1 77 77 ILE C C 77 172.744 172.744 177.255 -4.511 19459 1756 1 3 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.789 -0.855 19459 1757 1 3 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.284 0.888 19459 1758 1 3 . 1 1 77 77 ILE H H 77 7.978 7.978 8.258 -0.280 19459 1759 1 3 . 1 1 78 78 LYS N N 78 123.427 123.427 118.743 4.684 19459 1760 1 3 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.426 0.151 19459 1761 1 3 . 1 1 78 78 LYS C C 78 172.800 172.800 176.856 -4.056 19459 1762 1 3 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.541 -0.158 19459 1763 1 3 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.742 0.111 19459 1764 1 3 . 1 1 78 78 LYS H H 78 9.415 9.415 8.125 1.290 19459 1765 1 3 . 1 1 79 79 GLY N N 79 108.777 108.777 107.578 1.199 19459 1766 1 3 . 1 1 79 79 GLY C C 79 176.221 176.221 174.162 2.059 19459 1767 1 3 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.321 -0.439 19459 1768 1 3 . 1 1 79 79 GLY H H 79 7.857 7.857 8.401 -0.544 19459 1769 1 3 . 1 1 80 80 ILE N N 80 109.131 109.131 116.317 -7.186 19459 1770 1 3 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.086 0.872 19459 1771 1 3 . 1 1 80 80 ILE C C 80 174.883 174.883 174.917 -0.034 19459 1772 1 3 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.280 -0.623 19459 1773 1 3 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.673 2.038 19459 1774 1 3 . 1 1 80 80 ILE H H 80 8.076 8.076 8.199 -0.123 19459 1775 1 3 . 1 1 81 81 GLN N N 81 116.732 116.732 121.460 -4.728 19459 1776 1 3 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.643 0.023 19459 1777 1 3 . 1 1 81 81 GLN C C 81 172.989 172.989 174.193 -1.204 19459 1778 1 3 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.063 1.438 19459 1779 1 3 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.702 -2.028 19459 1780 1 3 . 1 1 81 81 GLN H H 81 7.682 7.682 7.494 0.188 19459 1781 1 3 . 1 1 82 82 PHE N N 82 119.773 119.773 123.434 -3.661 19459 1782 1 3 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.093 -0.213 19459 1783 1 3 . 1 1 82 82 PHE C C 82 173.680 173.680 176.565 -2.885 19459 1784 1 3 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.970 -1.285 19459 1785 1 3 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.128 0.991 19459 1786 1 3 . 1 1 82 82 PHE H H 82 8.615 8.615 8.080 0.535 19459 1787 1 3 . 1 1 83 83 GLY N N 83 119.507 119.507 116.082 3.425 19459 1788 1 3 . 1 1 83 83 GLY C C 83 174.662 174.662 174.191 0.471 19459 1789 1 3 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.540 -0.049 19459 1790 1 3 . 1 1 83 83 GLY H H 83 9.086 9.086 7.946 1.140 19459 1791 1 3 . 1 1 84 84 SER N N 84 118.128 118.128 117.688 0.440 19459 1792 1 3 . 1 1 84 84 SER HA H 84 4.415 4.415 4.544 -0.129 19459 1793 1 3 . 1 1 84 84 SER C C 84 177.247 177.247 173.429 3.818 19459 1794 1 3 . 1 1 84 84 SER CA C 84 60.111 60.111 58.940 1.171 19459 1795 1 3 . 1 1 84 84 SER CB C 84 64.281 64.281 64.784 -0.503 19459 1796 1 3 . 1 1 84 84 SER H H 84 8.573 8.573 7.796 0.777 19459 1797 1 3 . 1 1 85 85 GLN N N 85 119.913 119.913 123.163 -3.250 19459 1798 1 3 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.879 -0.060 19459 1799 1 3 . 1 1 85 85 GLN C C 85 172.795 172.795 174.708 -1.913 19459 1800 1 3 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.076 0.089 19459 1801 1 3 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.642 0.102 19459 1802 1 3 . 1 1 85 85 GLN H H 85 8.211 8.211 8.513 -0.302 19459 1803 1 3 . 1 1 86 86 ILE N N 86 119.724 119.724 120.619 -0.895 19459 1804 1 3 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.869 -0.112 19459 1805 1 3 . 1 1 86 86 ILE C C 86 174.969 174.969 173.378 1.591 19459 1806 1 3 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.156 1.671 19459 1807 1 3 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.624 -0.830 19459 1808 1 3 . 1 1 86 86 ILE H H 86 9.215 9.215 8.819 0.396 19459 1809 1 3 . 1 1 87 87 LYS N N 87 117.135 117.135 120.205 -3.070 19459 1810 1 3 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.767 0.468 19459 1811 1 3 . 1 1 87 87 LYS C C 87 174.599 174.599 175.935 -1.336 19459 1812 1 3 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.704 0.009 19459 1813 1 3 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.573 2.254 19459 1814 1 3 . 1 1 87 87 LYS H H 87 7.600 7.600 8.792 -1.192 19459 1815 1 3 . 1 1 88 88 TYR N N 88 119.004 119.004 120.691 -1.687 19459 1816 1 3 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.920 0.502 19459 1817 1 3 . 1 1 88 88 TYR C C 88 174.407 174.407 174.970 -0.563 19459 1818 1 3 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.555 0.380 19459 1819 1 3 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.864 5.095 19459 1820 1 3 . 1 1 88 88 TYR H H 88 8.601 8.601 9.009 -0.408 19459 1821 1 3 . 1 1 89 89 SER N N 89 113.228 113.228 116.426 -3.198 19459 1822 1 3 . 1 1 89 89 SER HA H 89 4.668 4.668 4.633 0.035 19459 1823 1 3 . 1 1 89 89 SER C C 89 177.136 177.136 174.502 2.634 19459 1824 1 3 . 1 1 89 89 SER CA C 89 57.291 57.291 58.386 -1.095 19459 1825 1 3 . 1 1 89 89 SER CB C 89 66.534 66.534 62.159 4.375 19459 1826 1 3 . 1 1 89 89 SER H H 89 9.007 9.007 7.678 1.329 19459 1827 1 3 . 1 1 90 90 CYS N N 90 116.009 116.009 124.014 -8.005 19459 1828 1 3 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.127 1.294 19459 1829 1 3 . 1 1 90 90 CYS C C 90 173.812 173.812 174.955 -1.143 19459 1830 1 3 . 1 1 90 90 CYS CA C 90 53.084 53.084 59.266 -6.182 19459 1831 1 3 . 1 1 90 90 CYS CB C 90 41.404 41.404 26.782 14.622 19459 1832 1 3 . 1 1 90 90 CYS H H 90 8.806 8.806 8.733 0.073 19459 1833 1 3 . 1 1 91 91 THR N N 91 120.813 120.813 110.505 10.308 19459 1834 1 3 . 1 1 91 91 THR HA H 91 3.994 3.994 4.289 -0.295 19459 1835 1 3 . 1 1 91 91 THR C C 91 176.445 176.445 174.000 2.445 19459 1836 1 3 . 1 1 91 91 THR CA C 91 63.440 63.440 60.680 2.760 19459 1837 1 3 . 1 1 91 91 THR CB C 91 69.608 69.608 71.006 -1.398 19459 1838 1 3 . 1 1 91 91 THR H H 91 8.737 8.737 6.514 2.223 19459 1839 1 3 . 1 1 92 92 LYS N N 92 124.963 124.963 122.777 2.186 19459 1840 1 3 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.261 -0.157 19459 1841 1 3 . 1 1 92 92 LYS C C 92 172.310 172.310 177.415 -5.105 19459 1842 1 3 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.942 0.945 19459 1843 1 3 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.583 -0.444 19459 1844 1 3 . 1 1 92 92 LYS H H 92 8.325 8.325 8.559 -0.234 19459 1845 1 3 . 1 1 93 93 GLY N N 93 113.608 113.608 108.479 5.129 19459 1846 1 3 . 1 1 93 93 GLY C C 93 175.127 175.127 172.813 2.314 19459 1847 1 3 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.531 0.180 19459 1848 1 3 . 1 1 93 93 GLY H H 93 8.827 8.827 8.130 0.697 19459 1849 1 3 . 1 1 94 94 TYR N N 94 119.900 119.900 122.226 -2.326 19459 1850 1 3 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.866 -0.224 19459 1851 1 3 . 1 1 94 94 TYR C C 94 174.548 174.548 173.694 0.854 19459 1852 1 3 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.163 0.995 19459 1853 1 3 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.899 0.295 19459 1854 1 3 . 1 1 94 94 TYR H H 94 8.281 8.281 7.656 0.625 19459 1855 1 3 . 1 1 95 95 ARG N N 95 122.431 122.431 120.241 2.190 19459 1856 1 3 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.139 0.389 19459 1857 1 3 . 1 1 95 95 ARG C C 95 175.179 175.179 173.899 1.280 19459 1858 1 3 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.285 0.268 19459 1859 1 3 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.193 0.008 19459 1860 1 3 . 1 1 95 95 ARG H H 95 9.608 9.608 8.402 1.206 19459 1861 1 3 . 1 1 96 96 LEU N N 96 125.652 125.652 123.227 2.425 19459 1862 1 3 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.685 -0.023 19459 1863 1 3 . 1 1 96 96 LEU C C 96 172.420 172.420 176.671 -4.251 19459 1864 1 3 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.062 2.441 19459 1865 1 3 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.594 -0.788 19459 1866 1 3 . 1 1 96 96 LEU H H 96 8.231 8.231 8.210 0.021 19459 1867 1 3 . 1 1 97 97 ILE N N 97 131.597 131.597 125.133 6.464 19459 1868 1 3 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.876 0.364 19459 1869 1 3 . 1 1 97 97 ILE C C 97 174.158 174.158 176.508 -2.350 19459 1870 1 3 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.976 -1.807 19459 1871 1 3 . 1 1 97 97 ILE CB C 97 37.803 37.803 38.456 -0.653 19459 1872 1 3 . 1 1 97 97 ILE H H 97 9.661 9.661 8.426 1.235 19459 1873 1 3 . 1 1 98 98 GLY N N 98 116.731 116.731 107.273 9.458 19459 1874 1 3 . 1 1 98 98 GLY C C 98 176.923 176.923 173.654 3.269 19459 1875 1 3 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.112 -1.048 19459 1876 1 3 . 1 1 98 98 GLY H H 98 8.465 8.465 7.628 0.837 19459 1877 1 3 . 1 1 99 99 SER N N 99 116.632 116.632 118.147 -1.515 19459 1878 1 3 . 1 1 99 99 SER HA H 99 4.509 4.509 4.584 -0.075 19459 1879 1 3 . 1 1 99 99 SER C C 99 175.013 175.013 174.349 0.664 19459 1880 1 3 . 1 1 99 99 SER CA C 99 58.328 58.328 58.382 -0.054 19459 1881 1 3 . 1 1 99 99 SER CB C 99 63.996 63.996 63.899 0.097 19459 1882 1 3 . 1 1 99 99 SER H H 99 8.759 8.759 8.205 0.554 19459 1883 1 3 . 1 1 100 100 SER N N 100 116.696 116.696 118.764 -2.068 19459 1884 1 3 . 1 1 100 100 SER HA H 100 4.447 4.447 4.647 -0.200 19459 1885 1 3 . 1 1 100 100 SER C C 100 175.403 175.403 174.061 1.342 19459 1886 1 3 . 1 1 100 100 SER CA C 100 59.209 59.209 59.218 -0.009 19459 1887 1 3 . 1 1 100 100 SER CB C 100 64.035 64.035 63.647 0.388 19459 1888 1 3 . 1 1 100 100 SER H H 100 8.617 8.617 8.707 -0.090 19459 1889 1 3 . 1 1 101 101 SER N N 101 115.247 115.247 115.982 -0.735 19459 1890 1 3 . 1 1 101 101 SER HA H 101 5.346 5.346 5.430 -0.084 19459 1891 1 3 . 1 1 101 101 SER C C 101 176.888 176.888 172.672 4.216 19459 1892 1 3 . 1 1 101 101 SER CA C 101 57.021 57.021 57.118 -0.097 19459 1893 1 3 . 1 1 101 101 SER CB C 101 66.391 66.391 66.717 -0.326 19459 1894 1 3 . 1 1 101 101 SER H H 101 7.952 7.952 7.456 0.496 19459 1895 1 3 . 1 1 102 102 ALA N N 102 121.438 121.438 121.014 0.424 19459 1896 1 3 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.163 -0.076 19459 1897 1 3 . 1 1 102 102 ALA C C 102 173.807 173.807 175.698 -1.891 19459 1898 1 3 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.985 0.838 19459 1899 1 3 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.642 1.429 19459 1900 1 3 . 1 1 102 102 ALA H H 102 8.286 8.286 8.789 -0.503 19459 1901 1 3 . 1 1 103 103 THR N N 103 118.007 118.007 117.849 0.158 19459 1902 1 3 . 1 1 103 103 THR HA H 103 5.560 5.560 5.315 0.245 19459 1903 1 3 . 1 1 103 103 THR C C 103 176.159 176.159 173.876 2.283 19459 1904 1 3 . 1 1 103 103 THR CA C 103 61.342 61.342 61.347 -0.005 19459 1905 1 3 . 1 1 103 103 THR CB C 103 71.171 71.171 70.978 0.193 19459 1906 1 3 . 1 1 103 103 THR H H 103 9.636 9.636 9.619 0.017 19459 1907 1 3 . 1 1 104 104 CYS N N 104 127.602 127.602 128.070 -0.468 19459 1908 1 3 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.858 -0.492 19459 1909 1 3 . 1 1 104 104 CYS C C 104 174.892 174.892 174.142 0.750 19459 1910 1 3 . 1 1 104 104 CYS CA C 104 55.479 55.479 58.161 -2.682 19459 1911 1 3 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.226 12.959 19459 1912 1 3 . 1 1 104 104 CYS H H 104 8.338 8.338 8.681 -0.343 19459 1913 1 3 . 1 1 105 105 ILE N N 105 126.775 126.775 123.766 3.009 19459 1914 1 3 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.018 -0.109 19459 1915 1 3 . 1 1 105 105 ILE C C 105 174.390 174.390 173.814 0.576 19459 1916 1 3 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.994 1.227 19459 1917 1 3 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.877 0.645 19459 1918 1 3 . 1 1 105 105 ILE H H 105 9.375 9.375 9.177 0.198 19459 1919 1 3 . 1 1 106 106 ILE N N 106 118.256 118.256 122.080 -3.824 19459 1920 1 3 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.094 -0.024 19459 1921 1 3 . 1 1 106 106 ILE C C 106 172.560 172.560 176.855 -4.295 19459 1922 1 3 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.682 1.207 19459 1923 1 3 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.305 3.380 19459 1924 1 3 . 1 1 106 106 ILE H H 106 8.041 8.041 8.766 -0.725 19459 1925 1 3 . 1 1 107 107 SER N N 107 120.167 120.167 122.550 -2.383 19459 1926 1 3 . 1 1 107 107 SER HA H 107 4.376 4.376 4.466 -0.090 19459 1927 1 3 . 1 1 107 107 SER C C 107 174.594 174.594 175.725 -1.131 19459 1928 1 3 . 1 1 107 107 SER CA C 107 57.111 57.111 58.566 -1.455 19459 1929 1 3 . 1 1 107 107 SER CB C 107 63.835 63.835 64.181 -0.346 19459 1930 1 3 . 1 1 107 107 SER H H 107 8.013 8.013 8.978 -0.965 19459 1931 1 3 . 1 1 108 108 GLY N N 108 119.089 119.089 111.076 8.013 19459 1932 1 3 . 1 1 108 108 GLY C C 108 174.665 174.665 173.781 0.884 19459 1933 1 3 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.416 2.072 19459 1934 1 3 . 1 1 108 108 GLY H H 108 9.116 9.116 7.693 1.423 19459 1935 1 3 . 1 1 109 109 ASP N N 109 127.143 127.143 123.897 3.246 19459 1936 1 3 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.503 0.258 19459 1937 1 3 . 1 1 109 109 ASP C C 109 173.724 173.724 175.980 -2.256 19459 1938 1 3 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.811 -2.088 19459 1939 1 3 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.614 -0.382 19459 1940 1 3 . 1 1 109 109 ASP H H 109 8.845 8.845 8.527 0.318 19459 1941 1 3 . 1 1 110 110 THR N N 110 115.044 115.044 109.717 5.327 19459 1942 1 3 . 1 1 110 110 THR HA H 110 4.663 4.663 4.481 0.182 19459 1943 1 3 . 1 1 110 110 THR C C 110 175.636 175.636 172.680 2.956 19459 1944 1 3 . 1 1 110 110 THR CA C 110 58.612 58.612 60.771 -2.159 19459 1945 1 3 . 1 1 110 110 THR CB C 110 71.146 71.146 70.585 0.561 19459 1946 1 3 . 1 1 110 110 THR H H 110 8.134 8.134 7.274 0.860 19459 1947 1 3 . 1 1 111 111 VAL N N 111 115.728 115.728 118.766 -3.038 19459 1948 1 3 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.925 0.390 19459 1949 1 3 . 1 1 111 111 VAL C C 111 174.752 174.752 174.324 0.428 19459 1950 1 3 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.303 -1.662 19459 1951 1 3 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.947 0.877 19459 1952 1 3 . 1 1 111 111 VAL H H 111 8.310 8.310 8.376 -0.066 19459 1953 1 3 . 1 1 112 112 ILE N N 112 117.116 117.116 118.433 -1.317 19459 1954 1 3 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.651 -0.145 19459 1955 1 3 . 1 1 112 112 ILE C C 112 174.637 174.637 174.362 0.275 19459 1956 1 3 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.703 0.792 19459 1957 1 3 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.709 1.482 19459 1958 1 3 . 1 1 112 112 ILE H H 112 8.945 8.945 8.649 0.296 19459 1959 1 3 . 1 1 113 113 TRP N N 113 121.755 121.755 121.270 0.485 19459 1960 1 3 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.046 0.061 19459 1961 1 3 . 1 1 113 113 TRP C C 113 170.413 170.413 177.186 -6.773 19459 1962 1 3 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.432 -0.055 19459 1963 1 3 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.288 -0.992 19459 1964 1 3 . 1 1 113 113 TRP H H 113 7.567 7.567 8.715 -1.148 19459 1965 1 3 . 1 1 114 114 ASP N N 114 123.286 123.286 119.574 3.712 19459 1966 1 3 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.558 -0.351 19459 1967 1 3 . 1 1 114 114 ASP C C 114 174.083 174.083 176.086 -2.003 19459 1968 1 3 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.351 1.050 19459 1969 1 3 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.050 -0.901 19459 1970 1 3 . 1 1 114 114 ASP H H 114 9.451 9.451 8.521 0.930 19459 1971 1 3 . 1 1 115 115 GLN N N 115 116.139 116.139 120.105 -3.966 19459 1972 1 3 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.214 0.531 19459 1973 1 3 . 1 1 115 115 GLN C C 115 173.639 173.639 177.279 -3.640 19459 1974 1 3 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.947 -3.764 19459 1975 1 3 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.049 3.273 19459 1976 1 3 . 1 1 115 115 GLN H H 115 7.305 7.305 7.905 -0.600 19459 1977 1 3 . 1 1 116 116 GLU N N 116 120.881 120.881 126.138 -5.257 19459 1978 1 3 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.189 0.141 19459 1979 1 3 . 1 1 116 116 GLU C C 116 173.578 173.578 176.290 -2.712 19459 1980 1 3 . 1 1 116 116 GLU CA C 116 55.157 55.157 57.655 -2.498 19459 1981 1 3 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.112 0.103 19459 1982 1 3 . 1 1 116 116 GLU H H 116 8.615 8.615 8.856 -0.241 19459 1983 1 3 . 1 1 117 117 THR N N 117 119.889 119.889 111.267 8.622 19459 1984 1 3 . 1 1 117 117 THR HA H 117 3.609 3.609 4.331 -0.722 19459 1985 1 3 . 1 1 117 117 THR C C 117 176.699 176.699 171.687 5.012 19459 1986 1 3 . 1 1 117 117 THR CA C 117 61.757 61.757 61.030 0.727 19459 1987 1 3 . 1 1 117 117 THR CB C 117 69.799 69.799 70.189 -0.390 19459 1988 1 3 . 1 1 117 117 THR H H 117 8.075 8.075 7.436 0.639 19459 1989 1 3 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.308 0.224 19459 1990 1 3 . 1 1 118 118 PRO C C 118 175.300 175.300 175.951 -0.651 19459 1991 1 3 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.803 -0.443 19459 1992 1 3 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.953 0.934 19459 1993 1 3 . 1 1 119 119 ILE N N 119 114.729 114.729 123.242 -8.513 19459 1994 1 3 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.265 0.022 19459 1995 1 3 . 1 1 119 119 ILE C C 119 174.748 174.748 175.210 -0.462 19459 1996 1 3 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.521 -1.279 19459 1997 1 3 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.202 -0.018 19459 1998 1 3 . 1 1 119 119 ILE H H 119 7.874 7.874 8.344 -0.470 19459 1999 1 3 . 1 1 120 120 CYS N N 120 123.444 123.444 125.928 -2.484 19459 2000 1 3 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.919 0.631 19459 2001 1 3 . 1 1 120 120 CYS C C 120 175.583 175.583 174.818 0.765 19459 2002 1 3 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.120 -4.426 19459 2003 1 3 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.797 13.653 19459 2004 1 3 . 1 1 120 120 CYS H H 120 8.583 8.583 8.788 -0.205 19459 2005 1 3 . 1 1 121 121 ASP N N 121 124.459 124.459 124.983 -0.524 19459 2006 1 3 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.467 0.840 19459 2007 1 3 . 1 1 121 121 ASP C C 121 174.495 174.495 176.269 -1.774 19459 2008 1 3 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.719 -3.502 19459 2009 1 3 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.877 2.526 19459 2010 1 3 . 1 1 121 121 ASP H H 121 9.309 9.309 8.841 0.468 19459 2011 1 4 . 1 1 2 2 CYS N N 2 117.967 117.967 118.411 -0.444 19459 2012 1 4 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.640 -0.113 19459 2013 1 4 . 1 1 2 2 CYS C C 2 174.023 174.023 175.211 -1.188 19459 2014 1 4 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.089 -0.117 19459 2015 1 4 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.672 17.387 19459 2016 1 4 . 1 1 2 2 CYS H H 2 9.327 9.327 8.630 0.697 19459 2017 1 4 . 1 1 3 3 ASN N N 3 119.722 119.722 114.976 4.746 19459 2018 1 4 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.517 0.732 19459 2019 1 4 . 1 1 3 3 ASN C C 3 175.027 175.027 174.405 0.622 19459 2020 1 4 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.781 -1.268 19459 2021 1 4 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.103 2.540 19459 2022 1 4 . 1 1 3 3 ASN H H 3 8.686 8.686 8.567 0.119 19459 2023 1 4 . 1 1 4 4 ALA N N 4 122.403 122.403 116.554 5.849 19459 2024 1 4 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.707 -0.278 19459 2025 1 4 . 1 1 4 4 ALA C C 4 173.517 173.517 176.723 -3.206 19459 2026 1 4 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.239 -0.426 19459 2027 1 4 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.665 -1.677 19459 2028 1 4 . 1 1 4 4 ALA H H 4 8.401 8.401 8.095 0.306 19459 2029 1 4 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.431 -0.523 19459 2030 1 4 . 1 1 5 5 PRO C C 5 172.806 172.806 176.983 -4.177 19459 2031 1 4 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.954 -1.503 19459 2032 1 4 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.011 -0.459 19459 2033 1 4 . 1 1 6 6 GLU N N 6 121.296 121.296 114.472 6.824 19459 2034 1 4 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.407 -0.216 19459 2035 1 4 . 1 1 6 6 GLU C C 6 172.835 172.835 174.271 -1.436 19459 2036 1 4 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.850 0.325 19459 2037 1 4 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.569 0.395 19459 2038 1 4 . 1 1 6 6 GLU H H 6 8.443 8.443 7.986 0.457 19459 2039 1 4 . 1 1 7 7 TRP N N 7 124.746 124.746 122.626 2.120 19459 2040 1 4 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.914 -0.982 19459 2041 1 4 . 1 1 7 7 TRP C C 7 174.236 174.236 174.824 -0.588 19459 2042 1 4 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.493 3.419 19459 2043 1 4 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.087 -1.054 19459 2044 1 4 . 1 1 7 7 TRP H H 7 8.674 8.674 8.429 0.245 19459 2045 1 4 . 1 1 8 8 LEU N N 8 125.782 125.782 130.989 -5.207 19459 2046 1 4 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.304 0.252 19459 2047 1 4 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.918 0.047 19459 2048 1 4 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.745 -0.852 19459 2049 1 4 . 1 1 8 8 LEU H H 8 7.922 7.922 8.129 -0.207 19459 2050 1 4 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.164 0.434 19459 2051 1 4 . 1 1 9 9 PRO C C 9 172.961 172.961 177.840 -4.879 19459 2052 1 4 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.057 -0.517 19459 2053 1 4 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.259 0.178 19459 2054 1 4 . 1 1 10 10 PHE N N 10 106.863 106.863 117.764 -10.901 19459 2055 1 4 . 1 1 10 10 PHE HA H 10 3.609 3.609 3.699 -0.090 19459 2056 1 4 . 1 1 10 10 PHE C C 10 175.535 175.535 176.068 -0.533 19459 2057 1 4 . 1 1 10 10 PHE CA C 10 53.857 53.857 58.038 -4.181 19459 2058 1 4 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.238 3.537 19459 2059 1 4 . 1 1 10 10 PHE H H 10 5.588 5.588 7.543 -1.955 19459 2060 1 4 . 1 1 11 11 ALA N N 11 121.214 121.214 119.764 1.450 19459 2061 1 4 . 1 1 11 11 ALA HA H 11 5.143 5.143 4.904 0.239 19459 2062 1 4 . 1 1 11 11 ALA C C 11 175.918 175.918 176.182 -0.264 19459 2063 1 4 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.922 0.946 19459 2064 1 4 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.047 3.683 19459 2065 1 4 . 1 1 11 11 ALA H H 11 6.349 6.349 7.132 -0.783 19459 2066 1 4 . 1 1 12 12 ARG N N 12 117.160 117.160 120.057 -2.897 19459 2067 1 4 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.785 -0.088 19459 2068 1 4 . 1 1 12 12 ARG C C 12 178.499 178.499 173.926 4.573 19459 2069 1 4 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.395 0.470 19459 2070 1 4 . 1 1 12 12 ARG H H 12 9.219 9.219 7.908 1.311 19459 2071 1 4 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.673 -1.004 19459 2072 1 4 . 1 1 13 13 PRO C C 13 171.555 171.555 176.998 -5.443 19459 2073 1 4 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.473 -1.092 19459 2074 1 4 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.972 -1.424 19459 2075 1 4 . 1 1 14 14 THR N N 14 112.823 112.823 111.364 1.459 19459 2076 1 4 . 1 1 14 14 THR HA H 14 3.905 3.905 4.380 -0.475 19459 2077 1 4 . 1 1 14 14 THR C C 14 174.364 174.364 175.473 -1.109 19459 2078 1 4 . 1 1 14 14 THR CA C 14 63.180 63.180 63.225 -0.045 19459 2079 1 4 . 1 1 14 14 THR CB C 14 68.154 68.154 69.594 -1.440 19459 2080 1 4 . 1 1 14 14 THR H H 14 8.062 8.062 8.164 -0.102 19459 2081 1 4 . 1 1 15 15 GLN N N 15 119.736 119.736 118.456 1.280 19459 2082 1 4 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.377 0.124 19459 2083 1 4 . 1 1 15 15 GLN C C 15 174.815 174.815 176.485 -1.670 19459 2084 1 4 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.746 -2.379 19459 2085 1 4 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.552 2.563 19459 2086 1 4 . 1 1 15 15 GLN H H 15 7.758 7.758 7.967 -0.209 19459 2087 1 4 . 1 1 16 16 LEU N N 16 124.583 124.583 120.729 3.854 19459 2088 1 4 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.138 0.223 19459 2089 1 4 . 1 1 16 16 LEU C C 16 172.167 172.167 177.518 -5.351 19459 2090 1 4 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.792 -1.495 19459 2091 1 4 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.672 0.362 19459 2092 1 4 . 1 1 16 16 LEU H H 16 8.458 8.458 8.162 0.296 19459 2093 1 4 . 1 1 17 17 THR N N 17 116.730 116.730 110.858 5.872 19459 2094 1 4 . 1 1 17 17 THR HA H 17 4.633 4.633 3.829 0.804 19459 2095 1 4 . 1 1 17 17 THR C C 17 175.703 175.703 174.951 0.752 19459 2096 1 4 . 1 1 17 17 THR CA C 17 60.358 60.358 64.453 -4.095 19459 2097 1 4 . 1 1 17 17 THR CB C 17 70.110 70.110 68.658 1.452 19459 2098 1 4 . 1 1 17 17 THR H H 17 8.325 8.325 7.928 0.397 19459 2099 1 4 . 1 1 18 18 ASP N N 18 122.839 122.839 116.122 6.717 19459 2100 1 4 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.810 -0.068 19459 2101 1 4 . 1 1 18 18 ASP C C 18 173.642 173.642 175.784 -2.142 19459 2102 1 4 . 1 1 18 18 ASP CA C 18 53.213 53.213 53.934 -0.721 19459 2103 1 4 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.017 -2.095 19459 2104 1 4 . 1 1 18 18 ASP H H 18 8.487 8.487 7.611 0.876 19459 2105 1 4 . 1 1 19 19 GLU N N 19 120.523 120.523 118.870 1.653 19459 2106 1 4 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.486 -0.413 19459 2107 1 4 . 1 1 19 19 GLU C C 19 174.249 174.249 176.135 -1.886 19459 2108 1 4 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.740 1.410 19459 2109 1 4 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.788 -0.445 19459 2110 1 4 . 1 1 19 19 GLU H H 19 7.931 7.931 7.416 0.515 19459 2111 1 4 . 1 1 20 20 PHE N N 20 118.500 118.500 120.000 -1.500 19459 2112 1 4 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.362 0.384 19459 2113 1 4 . 1 1 20 20 PHE C C 20 174.885 174.885 176.522 -1.637 19459 2114 1 4 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.847 -4.333 19459 2115 1 4 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.601 0.882 19459 2116 1 4 . 1 1 20 20 PHE H H 20 8.279 8.279 7.960 0.319 19459 2117 1 4 . 1 1 21 21 GLU N N 21 117.080 117.080 118.323 -1.243 19459 2118 1 4 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.739 0.271 19459 2119 1 4 . 1 1 21 21 GLU C C 21 174.900 174.900 175.001 -0.101 19459 2120 1 4 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.871 -1.598 19459 2121 1 4 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.781 -0.408 19459 2122 1 4 . 1 1 21 21 GLU H H 21 7.022 7.022 8.113 -1.091 19459 2123 1 4 . 1 1 22 22 PHE N N 22 119.655 119.655 120.866 -1.211 19459 2124 1 4 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.883 0.086 19459 2125 1 4 . 1 1 22 22 PHE C C 22 176.708 176.708 173.020 3.688 19459 2126 1 4 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.424 -0.648 19459 2127 1 4 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.283 -0.538 19459 2128 1 4 . 1 1 22 22 PHE H H 22 8.974 8.974 8.497 0.477 19459 2129 1 4 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.737 -0.149 19459 2130 1 4 . 1 1 23 23 PRO C C 23 171.163 171.163 176.572 -5.409 19459 2131 1 4 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.468 -0.051 19459 2132 1 4 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.224 0.431 19459 2133 1 4 . 1 1 24 24 ILE N N 24 123.238 123.238 120.269 2.969 19459 2134 1 4 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.805 -0.395 19459 2135 1 4 . 1 1 24 24 ILE C C 24 172.283 172.283 177.709 -5.426 19459 2136 1 4 . 1 1 24 24 ILE CA C 24 64.046 64.046 63.054 0.992 19459 2137 1 4 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.464 -0.015 19459 2138 1 4 . 1 1 24 24 ILE H H 24 8.199 8.199 8.523 -0.324 19459 2139 1 4 . 1 1 25 25 GLY N N 25 115.962 115.962 114.230 1.732 19459 2140 1 4 . 1 1 25 25 GLY C C 25 174.927 174.927 174.243 0.684 19459 2141 1 4 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.879 -0.456 19459 2142 1 4 . 1 1 25 25 GLY H H 25 9.061 9.061 8.580 0.481 19459 2143 1 4 . 1 1 26 26 THR N N 26 117.152 117.152 118.240 -1.088 19459 2144 1 4 . 1 1 26 26 THR HA H 26 4.081 4.081 4.595 -0.514 19459 2145 1 4 . 1 1 26 26 THR C C 26 176.723 176.723 173.430 3.293 19459 2146 1 4 . 1 1 26 26 THR CA C 26 65.711 65.711 61.993 3.718 19459 2147 1 4 . 1 1 26 26 THR CB C 26 70.084 70.084 70.277 -0.193 19459 2148 1 4 . 1 1 26 26 THR H H 26 7.704 7.704 7.435 0.269 19459 2149 1 4 . 1 1 27 27 TYR N N 27 125.094 125.094 125.855 -0.761 19459 2150 1 4 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.716 1.076 19459 2151 1 4 . 1 1 27 27 TYR C C 27 173.835 173.835 175.729 -1.894 19459 2152 1 4 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.933 -2.070 19459 2153 1 4 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.517 1.359 19459 2154 1 4 . 1 1 27 27 TYR H H 27 8.542 8.542 8.736 -0.194 19459 2155 1 4 . 1 1 28 28 LEU N N 28 120.714 120.714 124.899 -4.185 19459 2156 1 4 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.705 0.079 19459 2157 1 4 . 1 1 28 28 LEU C C 28 172.808 172.808 176.092 -3.284 19459 2158 1 4 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.531 -0.348 19459 2159 1 4 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.720 2.218 19459 2160 1 4 . 1 1 28 28 LEU H H 28 9.000 9.000 8.232 0.768 19459 2161 1 4 . 1 1 29 29 ASN N N 29 121.617 121.617 120.890 0.727 19459 2162 1 4 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.882 0.018 19459 2163 1 4 . 1 1 29 29 ASN C C 29 174.783 174.783 173.912 0.871 19459 2164 1 4 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.282 1.950 19459 2165 1 4 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.838 0.353 19459 2166 1 4 . 1 1 29 29 ASN H H 29 8.544 8.544 9.194 -0.650 19459 2167 1 4 . 1 1 30 30 TYR N N 30 126.738 126.738 123.072 3.666 19459 2168 1 4 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.660 0.026 19459 2169 1 4 . 1 1 30 30 TYR C C 30 174.911 174.911 175.027 -0.116 19459 2170 1 4 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.072 -0.171 19459 2171 1 4 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.973 3.869 19459 2172 1 4 . 1 1 30 30 TYR H H 30 9.324 9.324 7.948 1.376 19459 2173 1 4 . 1 1 31 31 GLU N N 31 114.116 114.116 122.590 -8.474 19459 2174 1 4 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.618 0.092 19459 2175 1 4 . 1 1 31 31 GLU C C 31 173.694 173.694 174.725 -1.031 19459 2176 1 4 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.575 -1.456 19459 2177 1 4 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.783 -0.157 19459 2178 1 4 . 1 1 31 31 GLU H H 31 8.553 8.553 8.536 0.017 19459 2179 1 4 . 1 1 32 32 CYS N N 32 121.086 121.086 123.886 -2.800 19459 2180 1 4 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.585 0.466 19459 2181 1 4 . 1 1 32 32 CYS C C 32 173.553 173.553 175.985 -2.432 19459 2182 1 4 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.640 -4.160 19459 2183 1 4 . 1 1 32 32 CYS CB C 32 37.487 37.487 26.381 11.105 19459 2184 1 4 . 1 1 32 32 CYS H H 32 9.784 9.784 8.920 0.864 19459 2185 1 4 . 1 1 33 33 ARG N N 33 123.418 123.418 126.139 -2.721 19459 2186 1 4 . 1 1 33 33 ARG C C 33 176.822 176.822 176.460 0.362 19459 2187 1 4 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.968 0.343 19459 2188 1 4 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.992 -0.649 19459 2189 1 4 . 1 1 33 33 ARG H H 33 7.898 7.898 8.082 -0.184 19459 2190 1 4 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.201 0.179 19459 2191 1 4 . 1 1 34 34 PRO CA C 34 64.055 64.055 65.043 -0.988 19459 2192 1 4 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.705 -0.370 19459 2193 1 4 . 1 1 35 35 GLY N N 35 111.039 111.039 103.524 7.515 19459 2194 1 4 . 1 1 35 35 GLY C C 35 177.546 177.546 173.557 3.989 19459 2195 1 4 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.821 -0.922 19459 2196 1 4 . 1 1 35 35 GLY H H 35 8.378 8.378 8.490 -0.112 19459 2197 1 4 . 1 1 36 36 TYR N N 36 116.682 116.682 117.969 -1.287 19459 2198 1 4 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.580 0.441 19459 2199 1 4 . 1 1 36 36 TYR C C 36 174.005 174.005 175.353 -1.348 19459 2200 1 4 . 1 1 36 36 TYR CA C 36 56.495 56.495 57.074 -0.579 19459 2201 1 4 . 1 1 36 36 TYR CB C 36 40.981 40.981 40.683 0.298 19459 2202 1 4 . 1 1 36 36 TYR H H 36 8.175 8.175 7.555 0.620 19459 2203 1 4 . 1 1 37 37 SER N N 37 115.855 115.855 117.650 -1.795 19459 2204 1 4 . 1 1 37 37 SER HA H 37 4.819 4.819 4.261 0.558 19459 2205 1 4 . 1 1 37 37 SER C C 37 175.442 175.442 175.636 -0.194 19459 2206 1 4 . 1 1 37 37 SER CA C 37 56.534 56.534 60.665 -4.131 19459 2207 1 4 . 1 1 37 37 SER CB C 37 65.642 65.642 63.804 1.838 19459 2208 1 4 . 1 1 37 37 SER H H 37 9.711 9.711 8.616 1.095 19459 2209 1 4 . 1 1 38 38 GLY N N 38 113.435 113.435 109.766 3.669 19459 2210 1 4 . 1 1 38 38 GLY C C 38 175.876 175.876 173.530 2.346 19459 2211 1 4 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.506 0.762 19459 2212 1 4 . 1 1 38 38 GLY H H 38 8.288 8.288 7.589 0.699 19459 2213 1 4 . 1 1 39 39 ARG N N 39 124.199 124.199 122.409 1.790 19459 2214 1 4 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.197 0.542 19459 2215 1 4 . 1 1 39 39 ARG C C 39 175.413 175.413 174.080 1.333 19459 2216 1 4 . 1 1 39 39 ARG CA C 39 54.740 54.740 54.175 0.565 19459 2217 1 4 . 1 1 39 39 ARG CB C 39 29.634 29.634 29.657 -0.023 19459 2218 1 4 . 1 1 39 39 ARG H H 39 8.350 8.350 8.397 -0.047 19459 2219 1 4 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.253 0.405 19459 2220 1 4 . 1 1 40 40 PRO C C 40 173.702 173.702 175.701 -1.999 19459 2221 1 4 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.090 1.379 19459 2222 1 4 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.924 0.264 19459 2223 1 4 . 1 1 41 41 PHE N N 41 118.388 118.388 121.552 -3.164 19459 2224 1 4 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.762 0.401 19459 2225 1 4 . 1 1 41 41 PHE C C 41 176.886 176.886 175.057 1.829 19459 2226 1 4 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.541 -0.975 19459 2227 1 4 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.917 -0.653 19459 2228 1 4 . 1 1 41 41 PHE H H 41 8.017 8.017 8.102 -0.085 19459 2229 1 4 . 1 1 42 42 SER N N 42 114.056 114.056 117.756 -3.700 19459 2230 1 4 . 1 1 42 42 SER HA H 42 5.771 5.771 4.824 0.947 19459 2231 1 4 . 1 1 42 42 SER C C 42 174.978 174.978 174.246 0.732 19459 2232 1 4 . 1 1 42 42 SER CA C 42 56.668 56.668 58.399 -1.731 19459 2233 1 4 . 1 1 42 42 SER CB C 42 66.152 66.152 64.124 2.028 19459 2234 1 4 . 1 1 42 42 SER H H 42 8.540 8.540 8.445 0.095 19459 2235 1 4 . 1 1 43 43 ILE N N 43 115.669 115.669 118.526 -2.857 19459 2236 1 4 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.580 0.485 19459 2237 1 4 . 1 1 43 43 ILE C C 43 174.535 174.535 174.745 -0.210 19459 2238 1 4 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.258 -0.214 19459 2239 1 4 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.002 1.353 19459 2240 1 4 . 1 1 43 43 ILE H H 43 8.637 8.637 7.703 0.934 19459 2241 1 4 . 1 1 44 44 ILE N N 44 120.215 120.215 124.700 -4.485 19459 2242 1 4 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.926 0.360 19459 2243 1 4 . 1 1 44 44 ILE C C 44 174.033 174.033 177.291 -3.258 19459 2244 1 4 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.256 0.400 19459 2245 1 4 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.558 1.772 19459 2246 1 4 . 1 1 44 44 ILE H H 44 8.687 8.687 8.352 0.335 19459 2247 1 4 . 1 1 45 45 CYS N N 45 126.257 126.257 128.022 -1.765 19459 2248 1 4 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.182 -0.430 19459 2249 1 4 . 1 1 45 45 CYS C C 45 174.946 174.946 176.374 -1.428 19459 2250 1 4 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.730 -4.665 19459 2251 1 4 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.609 15.002 19459 2252 1 4 . 1 1 45 45 CYS H H 45 7.993 7.993 9.150 -1.157 19459 2253 1 4 . 1 1 46 46 LEU N N 46 132.514 132.514 121.698 10.816 19459 2254 1 4 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.980 0.436 19459 2255 1 4 . 1 1 46 46 LEU C C 46 172.195 172.195 177.185 -4.990 19459 2256 1 4 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.255 -2.911 19459 2257 1 4 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.027 2.177 19459 2258 1 4 . 1 1 46 46 LEU H H 46 8.826 8.826 8.214 0.612 19459 2259 1 4 . 1 1 47 47 LYS N N 47 115.254 115.254 117.967 -2.713 19459 2260 1 4 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.331 -0.343 19459 2261 1 4 . 1 1 47 47 LYS C C 47 173.781 173.781 176.153 -2.372 19459 2262 1 4 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.038 2.945 19459 2263 1 4 . 1 1 47 47 LYS CB C 47 31.208 31.208 33.098 -1.890 19459 2264 1 4 . 1 1 47 47 LYS H H 47 7.949 7.949 7.560 0.389 19459 2265 1 4 . 1 1 48 48 ASN N N 48 115.283 115.283 125.109 -9.826 19459 2266 1 4 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.316 0.220 19459 2267 1 4 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.998 -0.458 19459 2268 1 4 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.580 -1.208 19459 2269 1 4 . 1 1 48 48 ASN H H 48 8.432 8.432 9.366 -0.934 19459 2270 1 4 . 1 1 49 49 SER N N 49 110.595 110.595 104.492 6.103 19459 2271 1 4 . 1 1 49 49 SER HA H 49 3.969 3.969 4.096 -0.127 19459 2272 1 4 . 1 1 49 49 SER CA C 49 59.790 59.790 59.806 -0.015 19459 2273 1 4 . 1 1 49 49 SER CB C 49 60.870 60.870 61.135 -0.265 19459 2274 1 4 . 1 1 49 49 SER H H 49 8.457 8.457 8.293 0.164 19459 2275 1 4 . 1 1 50 50 VAL N N 50 117.680 117.680 118.742 -1.062 19459 2276 1 4 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.906 0.427 19459 2277 1 4 . 1 1 50 50 VAL C C 50 175.347 175.347 176.418 -1.071 19459 2278 1 4 . 1 1 50 50 VAL CA C 50 59.884 59.884 64.320 -4.436 19459 2279 1 4 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.540 2.297 19459 2280 1 4 . 1 1 50 50 VAL H H 50 6.840 6.840 7.629 -0.789 19459 2281 1 4 . 1 1 51 51 TRP N N 51 123.510 123.510 115.703 7.807 19459 2282 1 4 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.895 0.427 19459 2283 1 4 . 1 1 51 51 TRP C C 51 170.736 170.736 176.221 -5.485 19459 2284 1 4 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.577 -0.640 19459 2285 1 4 . 1 1 51 51 TRP CB C 51 30.791 30.791 31.960 -1.169 19459 2286 1 4 . 1 1 51 51 TRP H H 51 8.310 8.310 7.586 0.724 19459 2287 1 4 . 1 1 52 52 THR N N 52 115.962 115.962 111.683 4.279 19459 2288 1 4 . 1 1 52 52 THR HA H 52 4.656 4.656 4.201 0.455 19459 2289 1 4 . 1 1 52 52 THR C C 52 175.780 175.780 175.060 0.720 19459 2290 1 4 . 1 1 52 52 THR CA C 52 61.376 61.376 63.591 -2.215 19459 2291 1 4 . 1 1 52 52 THR CB C 52 70.723 70.723 69.408 1.315 19459 2292 1 4 . 1 1 52 52 THR H H 52 9.026 9.026 8.545 0.481 19459 2293 1 4 . 1 1 53 53 GLY N N 53 108.521 108.521 108.208 0.313 19459 2294 1 4 . 1 1 53 53 GLY C C 53 174.881 174.881 174.460 0.421 19459 2295 1 4 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.427 0.917 19459 2296 1 4 . 1 1 53 53 GLY H H 53 8.292 8.292 7.686 0.606 19459 2297 1 4 . 1 1 54 54 ALA N N 54 121.857 121.857 123.603 -1.746 19459 2298 1 4 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.134 0.019 19459 2299 1 4 . 1 1 54 54 ALA C C 54 172.786 172.786 177.030 -4.244 19459 2300 1 4 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.336 -0.639 19459 2301 1 4 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.589 2.125 19459 2302 1 4 . 1 1 54 54 ALA H H 54 8.443 8.443 8.395 0.048 19459 2303 1 4 . 1 1 55 55 LYS N N 55 118.318 118.318 118.504 -0.186 19459 2304 1 4 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.485 -0.741 19459 2305 1 4 . 1 1 55 55 LYS C C 55 172.519 172.519 175.670 -3.151 19459 2306 1 4 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.225 2.719 19459 2307 1 4 . 1 1 55 55 LYS CB C 55 32.632 32.632 34.243 -1.611 19459 2308 1 4 . 1 1 55 55 LYS H H 55 7.612 7.612 7.593 0.019 19459 2309 1 4 . 1 1 56 56 ASP N N 56 119.214 119.214 116.980 2.234 19459 2310 1 4 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.382 -0.265 19459 2311 1 4 . 1 1 56 56 ASP C C 56 173.700 173.700 176.991 -3.291 19459 2312 1 4 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.904 -0.520 19459 2313 1 4 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.790 -0.620 19459 2314 1 4 . 1 1 56 56 ASP H H 56 8.555 8.555 8.925 -0.370 19459 2315 1 4 . 1 1 57 57 ARG N N 57 116.006 116.006 116.825 -0.819 19459 2316 1 4 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.179 -0.299 19459 2317 1 4 . 1 1 57 57 ARG C C 57 171.638 171.638 176.163 -4.525 19459 2318 1 4 . 1 1 57 57 ARG CA C 57 55.927 55.927 58.176 -2.249 19459 2319 1 4 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.503 1.654 19459 2320 1 4 . 1 1 57 57 ARG H H 57 7.352 7.352 8.664 -1.312 19459 2321 1 4 . 1 1 58 58 CYS N N 58 115.000 115.000 115.917 -0.917 19459 2322 1 4 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.574 1.000 19459 2323 1 4 . 1 1 58 58 CYS C C 58 175.576 175.576 172.869 2.707 19459 2324 1 4 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.746 -4.894 19459 2325 1 4 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.148 14.428 19459 2326 1 4 . 1 1 58 58 CYS H H 58 7.587 7.587 7.846 -0.259 19459 2327 1 4 . 1 1 59 59 ARG N N 59 123.440 123.440 120.622 2.818 19459 2328 1 4 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.487 0.273 19459 2329 1 4 . 1 1 59 59 ARG C C 59 173.566 173.566 174.647 -1.081 19459 2330 1 4 . 1 1 59 59 ARG CA C 59 54.239 54.239 55.063 -0.824 19459 2331 1 4 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.934 -1.132 19459 2332 1 4 . 1 1 59 59 ARG H H 59 8.984 8.984 8.631 0.353 19459 2333 1 4 . 1 1 60 60 ARG N N 60 125.644 125.644 120.074 5.570 19459 2334 1 4 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.501 -0.850 19459 2335 1 4 . 1 1 60 60 ARG C C 60 172.119 172.119 174.413 -2.294 19459 2336 1 4 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.800 3.498 19459 2337 1 4 . 1 1 60 60 ARG CB C 60 31.268 31.268 33.047 -1.778 19459 2338 1 4 . 1 1 60 60 ARG H H 60 9.163 9.163 8.328 0.835 19459 2339 1 4 . 1 1 61 61 LYS N N 61 124.217 124.217 120.980 3.237 19459 2340 1 4 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.510 -0.393 19459 2341 1 4 . 1 1 61 61 LYS C C 61 173.791 173.791 175.871 -2.080 19459 2342 1 4 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.088 3.110 19459 2343 1 4 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.827 0.387 19459 2344 1 4 . 1 1 61 61 LYS H H 61 8.601 8.601 8.365 0.236 19459 2345 1 4 . 1 1 62 62 SER N N 62 114.120 114.120 116.998 -2.878 19459 2346 1 4 . 1 1 62 62 SER HA H 62 4.765 4.765 4.293 0.472 19459 2347 1 4 . 1 1 62 62 SER C C 62 175.019 175.019 174.532 0.487 19459 2348 1 4 . 1 1 62 62 SER CA C 62 58.227 58.227 59.485 -1.258 19459 2349 1 4 . 1 1 62 62 SER CB C 62 65.387 65.387 63.830 1.557 19459 2350 1 4 . 1 1 62 62 SER H H 62 8.494 8.494 8.526 -0.032 19459 2351 1 4 . 1 1 63 63 CYS N N 63 122.858 122.858 120.596 2.262 19459 2352 1 4 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.389 -0.321 19459 2353 1 4 . 1 1 63 63 CYS C C 63 176.076 176.076 174.455 1.621 19459 2354 1 4 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.591 2.676 19459 2355 1 4 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.212 11.556 19459 2356 1 4 . 1 1 63 63 CYS H H 63 8.359 8.359 8.254 0.105 19459 2357 1 4 . 1 1 64 64 ARG N N 64 118.145 118.145 119.769 -1.624 19459 2358 1 4 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.773 -0.607 19459 2359 1 4 . 1 1 64 64 ARG C C 64 173.077 173.077 174.856 -1.779 19459 2360 1 4 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.932 0.048 19459 2361 1 4 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.012 -1.553 19459 2362 1 4 . 1 1 64 64 ARG H H 64 8.496 8.496 8.882 -0.386 19459 2363 1 4 . 1 1 65 65 ASN N N 65 122.302 122.302 120.376 1.926 19459 2364 1 4 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.365 -0.631 19459 2365 1 4 . 1 1 65 65 ASN C C 65 175.117 175.117 174.460 0.657 19459 2366 1 4 . 1 1 65 65 ASN CA C 65 52.112 52.112 52.264 -0.152 19459 2367 1 4 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.665 -1.298 19459 2368 1 4 . 1 1 65 65 ASN H H 65 8.691 8.691 9.140 -0.449 19459 2369 1 4 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.315 0.168 19459 2370 1 4 . 1 1 67 67 PRO C C 67 172.228 172.228 176.776 -4.548 19459 2371 1 4 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.163 -1.497 19459 2372 1 4 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.713 0.774 19459 2373 1 4 . 1 1 68 68 ASP N N 68 118.184 118.184 119.588 -1.404 19459 2374 1 4 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.340 0.302 19459 2375 1 4 . 1 1 68 68 ASP C C 68 173.951 173.951 174.073 -0.122 19459 2376 1 4 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.474 -1.295 19459 2377 1 4 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.767 0.732 19459 2378 1 4 . 1 1 68 68 ASP H H 68 8.201 8.201 7.916 0.285 19459 2379 1 4 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.491 -0.255 19459 2380 1 4 . 1 1 69 69 PRO C C 69 172.350 172.350 178.109 -5.759 19459 2381 1 4 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.094 -0.184 19459 2382 1 4 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.003 -1.768 19459 2383 1 4 . 1 1 70 70 VAL N N 70 125.745 125.745 120.913 4.832 19459 2384 1 4 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.695 -0.036 19459 2385 1 4 . 1 1 70 70 VAL C C 70 171.231 171.231 176.880 -5.649 19459 2386 1 4 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.032 -0.368 19459 2387 1 4 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.732 -0.881 19459 2388 1 4 . 1 1 70 70 VAL H H 70 8.251 8.251 8.588 -0.337 19459 2389 1 4 . 1 1 71 71 ASN N N 71 119.702 119.702 116.656 3.046 19459 2390 1 4 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.742 -0.741 19459 2391 1 4 . 1 1 71 71 ASN C C 71 176.167 176.167 175.539 0.628 19459 2392 1 4 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.936 2.584 19459 2393 1 4 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.181 -1.939 19459 2394 1 4 . 1 1 71 71 ASN H H 71 8.994 8.994 8.158 0.836 19459 2395 1 4 . 1 1 72 72 GLY N N 72 104.254 104.254 107.940 -3.686 19459 2396 1 4 . 1 1 72 72 GLY C C 72 177.732 177.732 173.782 3.950 19459 2397 1 4 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.750 1.348 19459 2398 1 4 . 1 1 72 72 GLY H H 72 7.637 7.637 7.739 -0.102 19459 2399 1 4 . 1 1 73 73 MET N N 73 116.529 116.529 119.098 -2.569 19459 2400 1 4 . 1 1 73 73 MET HA H 73 4.887 4.887 4.715 0.172 19459 2401 1 4 . 1 1 73 73 MET C C 73 175.128 175.128 174.115 1.013 19459 2402 1 4 . 1 1 73 73 MET CA C 73 54.890 54.890 54.075 0.815 19459 2403 1 4 . 1 1 73 73 MET CB C 73 36.837 36.837 30.985 5.851 19459 2404 1 4 . 1 1 73 73 MET H H 73 8.819 8.819 7.992 0.827 19459 2405 1 4 . 1 1 74 74 VAL N N 74 122.511 122.511 121.797 0.714 19459 2406 1 4 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.703 -0.100 19459 2407 1 4 . 1 1 74 74 VAL C C 74 176.573 176.573 174.285 2.288 19459 2408 1 4 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.616 -0.607 19459 2409 1 4 . 1 1 74 74 VAL CB C 74 34.502 34.502 35.108 -0.606 19459 2410 1 4 . 1 1 74 74 VAL H H 74 8.796 8.796 7.869 0.927 19459 2411 1 4 . 1 1 75 75 HIS N N 75 125.200 125.200 125.819 -0.619 19459 2412 1 4 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.868 -0.154 19459 2413 1 4 . 1 1 75 75 HIS C C 75 175.500 175.500 173.314 2.186 19459 2414 1 4 . 1 1 75 75 HIS CA C 75 53.685 53.685 53.903 -0.218 19459 2415 1 4 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.269 -4.261 19459 2416 1 4 . 1 1 75 75 HIS H H 75 8.977 8.977 8.136 0.841 19459 2417 1 4 . 1 1 76 76 VAL N N 76 127.456 127.456 122.962 4.494 19459 2418 1 4 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.237 -0.065 19459 2419 1 4 . 1 1 76 76 VAL C C 76 173.257 173.257 174.437 -1.180 19459 2420 1 4 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.672 1.526 19459 2421 1 4 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.397 -2.057 19459 2422 1 4 . 1 1 76 76 VAL H H 76 8.926 8.926 8.565 0.361 19459 2423 1 4 . 1 1 77 77 ILE N N 77 126.756 126.756 127.946 -1.190 19459 2424 1 4 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.142 0.009 19459 2425 1 4 . 1 1 77 77 ILE C C 77 172.744 172.744 177.063 -4.319 19459 2426 1 4 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.204 -0.270 19459 2427 1 4 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.481 0.691 19459 2428 1 4 . 1 1 77 77 ILE H H 77 7.978 7.978 8.553 -0.575 19459 2429 1 4 . 1 1 78 78 LYS N N 78 123.427 123.427 119.733 3.694 19459 2430 1 4 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.189 0.388 19459 2431 1 4 . 1 1 78 78 LYS C C 78 172.800 172.800 177.456 -4.656 19459 2432 1 4 . 1 1 78 78 LYS CA C 78 55.383 55.383 57.427 -2.044 19459 2433 1 4 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.933 -0.081 19459 2434 1 4 . 1 1 78 78 LYS H H 78 9.415 9.415 8.568 0.847 19459 2435 1 4 . 1 1 79 79 GLY N N 79 108.777 108.777 105.906 2.871 19459 2436 1 4 . 1 1 79 79 GLY C C 79 176.221 176.221 173.840 2.381 19459 2437 1 4 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.745 0.137 19459 2438 1 4 . 1 1 79 79 GLY H H 79 7.857 7.857 8.452 -0.595 19459 2439 1 4 . 1 1 80 80 ILE N N 80 109.131 109.131 116.879 -7.748 19459 2440 1 4 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.134 0.824 19459 2441 1 4 . 1 1 80 80 ILE C C 80 174.883 174.883 173.738 1.145 19459 2442 1 4 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.172 -0.515 19459 2443 1 4 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.160 2.551 19459 2444 1 4 . 1 1 80 80 ILE H H 80 8.076 8.076 8.184 -0.108 19459 2445 1 4 . 1 1 81 81 GLN N N 81 116.732 116.732 119.411 -2.679 19459 2446 1 4 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.552 0.114 19459 2447 1 4 . 1 1 81 81 GLN C C 81 172.989 172.989 173.509 -0.520 19459 2448 1 4 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.355 1.146 19459 2449 1 4 . 1 1 81 81 GLN CB C 81 30.674 30.674 30.797 -0.123 19459 2450 1 4 . 1 1 81 81 GLN H H 81 7.682 7.682 7.920 -0.238 19459 2451 1 4 . 1 1 82 82 PHE N N 82 119.773 119.773 122.548 -2.775 19459 2452 1 4 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.016 -0.136 19459 2453 1 4 . 1 1 82 82 PHE C C 82 173.680 173.680 176.193 -2.513 19459 2454 1 4 . 1 1 82 82 PHE CA C 82 58.685 58.685 60.048 -1.363 19459 2455 1 4 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.361 0.758 19459 2456 1 4 . 1 1 82 82 PHE H H 82 8.615 8.615 7.958 0.657 19459 2457 1 4 . 1 1 83 83 GLY N N 83 119.507 119.507 114.543 4.964 19459 2458 1 4 . 1 1 83 83 GLY C C 83 174.662 174.662 173.464 1.198 19459 2459 1 4 . 1 1 83 83 GLY CA C 83 44.491 44.491 45.055 -0.564 19459 2460 1 4 . 1 1 83 83 GLY H H 83 9.086 9.086 7.885 1.201 19459 2461 1 4 . 1 1 84 84 SER N N 84 118.128 118.128 115.516 2.612 19459 2462 1 4 . 1 1 84 84 SER HA H 84 4.415 4.415 4.861 -0.446 19459 2463 1 4 . 1 1 84 84 SER C C 84 177.247 177.247 172.611 4.636 19459 2464 1 4 . 1 1 84 84 SER CA C 84 60.111 60.111 56.983 3.127 19459 2465 1 4 . 1 1 84 84 SER CB C 84 64.281 64.281 66.875 -2.594 19459 2466 1 4 . 1 1 84 84 SER H H 84 8.573 8.573 7.457 1.116 19459 2467 1 4 . 1 1 85 85 GLN N N 85 119.913 119.913 122.925 -3.012 19459 2468 1 4 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.729 0.090 19459 2469 1 4 . 1 1 85 85 GLN C C 85 172.795 172.795 174.675 -1.880 19459 2470 1 4 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.256 -0.091 19459 2471 1 4 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.357 0.387 19459 2472 1 4 . 1 1 85 85 GLN H H 85 8.211 8.211 8.662 -0.451 19459 2473 1 4 . 1 1 86 86 ILE N N 86 119.724 119.724 119.081 0.643 19459 2474 1 4 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.972 -0.215 19459 2475 1 4 . 1 1 86 86 ILE C C 86 174.969 174.969 173.884 1.085 19459 2476 1 4 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.544 1.283 19459 2477 1 4 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.801 -1.007 19459 2478 1 4 . 1 1 86 86 ILE H H 86 9.215 9.215 9.046 0.169 19459 2479 1 4 . 1 1 87 87 LYS N N 87 117.135 117.135 119.112 -1.977 19459 2480 1 4 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.706 0.529 19459 2481 1 4 . 1 1 87 87 LYS C C 87 174.599 174.599 175.446 -0.847 19459 2482 1 4 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.828 -0.114 19459 2483 1 4 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.722 2.105 19459 2484 1 4 . 1 1 87 87 LYS H H 87 7.600 7.600 8.827 -1.227 19459 2485 1 4 . 1 1 88 88 TYR N N 88 119.004 119.004 120.387 -1.383 19459 2486 1 4 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.807 0.615 19459 2487 1 4 . 1 1 88 88 TYR C C 88 174.407 174.407 175.365 -0.958 19459 2488 1 4 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.470 0.465 19459 2489 1 4 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.575 5.384 19459 2490 1 4 . 1 1 88 88 TYR H H 88 8.601 8.601 8.911 -0.310 19459 2491 1 4 . 1 1 89 89 SER N N 89 113.228 113.228 115.020 -1.792 19459 2492 1 4 . 1 1 89 89 SER HA H 89 4.668 4.668 4.549 0.119 19459 2493 1 4 . 1 1 89 89 SER C C 89 177.136 177.136 174.968 2.168 19459 2494 1 4 . 1 1 89 89 SER CA C 89 57.291 57.291 58.208 -0.917 19459 2495 1 4 . 1 1 89 89 SER CB C 89 66.534 66.534 64.232 2.302 19459 2496 1 4 . 1 1 89 89 SER H H 89 9.007 9.007 7.881 1.126 19459 2497 1 4 . 1 1 90 90 CYS N N 90 116.009 116.009 122.841 -6.832 19459 2498 1 4 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.270 1.151 19459 2499 1 4 . 1 1 90 90 CYS C C 90 173.812 173.812 174.519 -0.707 19459 2500 1 4 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.083 -4.999 19459 2501 1 4 . 1 1 90 90 CYS CB C 90 41.404 41.404 26.637 14.767 19459 2502 1 4 . 1 1 90 90 CYS H H 90 8.806 8.806 8.070 0.736 19459 2503 1 4 . 1 1 91 91 THR N N 91 120.813 120.813 111.730 9.083 19459 2504 1 4 . 1 1 91 91 THR HA H 91 3.994 3.994 4.342 -0.348 19459 2505 1 4 . 1 1 91 91 THR C C 91 176.445 176.445 174.117 2.328 19459 2506 1 4 . 1 1 91 91 THR CA C 91 63.440 63.440 61.048 2.392 19459 2507 1 4 . 1 1 91 91 THR CB C 91 69.608 69.608 70.800 -1.192 19459 2508 1 4 . 1 1 91 91 THR H H 91 8.737 8.737 7.062 1.675 19459 2509 1 4 . 1 1 92 92 LYS N N 92 124.963 124.963 123.777 1.186 19459 2510 1 4 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.215 -0.111 19459 2511 1 4 . 1 1 92 92 LYS C C 92 172.310 172.310 177.614 -5.304 19459 2512 1 4 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.900 -0.013 19459 2513 1 4 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.756 -0.617 19459 2514 1 4 . 1 1 92 92 LYS H H 92 8.325 8.325 8.653 -0.328 19459 2515 1 4 . 1 1 93 93 GLY N N 93 113.608 113.608 107.854 5.754 19459 2516 1 4 . 1 1 93 93 GLY C C 93 175.127 175.127 173.036 2.091 19459 2517 1 4 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.337 0.374 19459 2518 1 4 . 1 1 93 93 GLY H H 93 8.827 8.827 8.160 0.667 19459 2519 1 4 . 1 1 94 94 TYR N N 94 119.900 119.900 119.940 -0.040 19459 2520 1 4 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.818 -0.176 19459 2521 1 4 . 1 1 94 94 TYR C C 94 174.548 174.548 173.365 1.183 19459 2522 1 4 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.149 1.009 19459 2523 1 4 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.815 0.379 19459 2524 1 4 . 1 1 94 94 TYR H H 94 8.281 8.281 7.468 0.813 19459 2525 1 4 . 1 1 95 95 ARG N N 95 122.431 122.431 120.613 1.818 19459 2526 1 4 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.223 0.305 19459 2527 1 4 . 1 1 95 95 ARG C C 95 175.179 175.179 174.105 1.074 19459 2528 1 4 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.524 0.029 19459 2529 1 4 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.169 0.032 19459 2530 1 4 . 1 1 95 95 ARG H H 95 9.608 9.608 8.372 1.236 19459 2531 1 4 . 1 1 96 96 LEU N N 96 125.652 125.652 124.128 1.524 19459 2532 1 4 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.660 0.002 19459 2533 1 4 . 1 1 96 96 LEU C C 96 172.420 172.420 176.657 -4.237 19459 2534 1 4 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.988 2.515 19459 2535 1 4 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.912 -1.106 19459 2536 1 4 . 1 1 96 96 LEU H H 96 8.231 8.231 8.310 -0.079 19459 2537 1 4 . 1 1 97 97 ILE N N 97 131.597 131.597 125.224 6.373 19459 2538 1 4 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.934 0.306 19459 2539 1 4 . 1 1 97 97 ILE C C 97 174.158 174.158 176.613 -2.455 19459 2540 1 4 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.653 -0.484 19459 2541 1 4 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.906 -0.103 19459 2542 1 4 . 1 1 97 97 ILE H H 97 9.661 9.661 8.539 1.122 19459 2543 1 4 . 1 1 98 98 GLY N N 98 116.731 116.731 106.976 9.755 19459 2544 1 4 . 1 1 98 98 GLY C C 98 176.923 176.923 173.494 3.429 19459 2545 1 4 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.598 -0.534 19459 2546 1 4 . 1 1 98 98 GLY H H 98 8.465 8.465 7.622 0.843 19459 2547 1 4 . 1 1 99 99 SER N N 99 116.632 116.632 115.428 1.204 19459 2548 1 4 . 1 1 99 99 SER HA H 99 4.509 4.509 4.521 -0.012 19459 2549 1 4 . 1 1 99 99 SER C C 99 175.013 175.013 175.486 -0.473 19459 2550 1 4 . 1 1 99 99 SER CA C 99 58.328 58.328 58.793 -0.465 19459 2551 1 4 . 1 1 99 99 SER CB C 99 63.996 63.996 64.597 -0.601 19459 2552 1 4 . 1 1 99 99 SER H H 99 8.759 8.759 8.161 0.598 19459 2553 1 4 . 1 1 100 100 SER N N 100 116.696 116.696 117.478 -0.782 19459 2554 1 4 . 1 1 100 100 SER HA H 100 4.447 4.447 4.529 -0.082 19459 2555 1 4 . 1 1 100 100 SER C C 100 175.403 175.403 174.124 1.279 19459 2556 1 4 . 1 1 100 100 SER CA C 100 59.209 59.209 58.897 0.312 19459 2557 1 4 . 1 1 100 100 SER CB C 100 64.035 64.035 63.353 0.682 19459 2558 1 4 . 1 1 100 100 SER H H 100 8.617 8.617 8.808 -0.191 19459 2559 1 4 . 1 1 101 101 SER N N 101 115.247 115.247 115.315 -0.068 19459 2560 1 4 . 1 1 101 101 SER HA H 101 5.346 5.346 5.059 0.287 19459 2561 1 4 . 1 1 101 101 SER C C 101 176.888 176.888 172.661 4.227 19459 2562 1 4 . 1 1 101 101 SER CA C 101 57.021 57.021 57.295 -0.274 19459 2563 1 4 . 1 1 101 101 SER CB C 101 66.391 66.391 66.162 0.229 19459 2564 1 4 . 1 1 101 101 SER H H 101 7.952 7.952 7.579 0.373 19459 2565 1 4 . 1 1 102 102 ALA N N 102 121.438 121.438 122.060 -0.622 19459 2566 1 4 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.280 -0.193 19459 2567 1 4 . 1 1 102 102 ALA C C 102 173.807 173.807 175.910 -2.103 19459 2568 1 4 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.702 1.121 19459 2569 1 4 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.555 1.516 19459 2570 1 4 . 1 1 102 102 ALA H H 102 8.286 8.286 8.844 -0.558 19459 2571 1 4 . 1 1 103 103 THR N N 103 118.007 118.007 118.882 -0.875 19459 2572 1 4 . 1 1 103 103 THR HA H 103 5.560 5.560 5.281 0.279 19459 2573 1 4 . 1 1 103 103 THR C C 103 176.159 176.159 174.133 2.026 19459 2574 1 4 . 1 1 103 103 THR CA C 103 61.342 61.342 61.944 -0.602 19459 2575 1 4 . 1 1 103 103 THR CB C 103 71.171 71.171 70.911 0.260 19459 2576 1 4 . 1 1 103 103 THR H H 103 9.636 9.636 10.001 -0.365 19459 2577 1 4 . 1 1 104 104 CYS N N 104 127.602 127.602 127.453 0.149 19459 2578 1 4 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.065 -0.699 19459 2579 1 4 . 1 1 104 104 CYS C C 104 174.892 174.892 174.568 0.324 19459 2580 1 4 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.267 -3.788 19459 2581 1 4 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.833 12.352 19459 2582 1 4 . 1 1 104 104 CYS H H 104 8.338 8.338 8.694 -0.356 19459 2583 1 4 . 1 1 105 105 ILE N N 105 126.775 126.775 122.721 4.054 19459 2584 1 4 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.073 -0.164 19459 2585 1 4 . 1 1 105 105 ILE C C 105 174.390 174.390 173.717 0.673 19459 2586 1 4 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.813 1.408 19459 2587 1 4 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.375 1.147 19459 2588 1 4 . 1 1 105 105 ILE H H 105 9.375 9.375 9.311 0.064 19459 2589 1 4 . 1 1 106 106 ILE N N 106 118.256 118.256 122.581 -4.325 19459 2590 1 4 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.396 -0.326 19459 2591 1 4 . 1 1 106 106 ILE C C 106 172.560 172.560 176.951 -4.391 19459 2592 1 4 . 1 1 106 106 ILE CA C 106 61.889 61.889 59.642 2.248 19459 2593 1 4 . 1 1 106 106 ILE CB C 106 39.685 39.685 37.645 2.040 19459 2594 1 4 . 1 1 106 106 ILE H H 106 8.041 8.041 8.340 -0.299 19459 2595 1 4 . 1 1 107 107 SER N N 107 120.167 120.167 122.555 -2.388 19459 2596 1 4 . 1 1 107 107 SER HA H 107 4.376 4.376 4.414 -0.038 19459 2597 1 4 . 1 1 107 107 SER C C 107 174.594 174.594 175.555 -0.961 19459 2598 1 4 . 1 1 107 107 SER CA C 107 57.111 57.111 58.840 -1.730 19459 2599 1 4 . 1 1 107 107 SER CB C 107 63.835 63.835 64.267 -0.432 19459 2600 1 4 . 1 1 107 107 SER H H 107 8.013 8.013 8.835 -0.822 19459 2601 1 4 . 1 1 108 108 GLY N N 108 119.089 119.089 110.728 8.361 19459 2602 1 4 . 1 1 108 108 GLY C C 108 174.665 174.665 174.146 0.519 19459 2603 1 4 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.404 2.084 19459 2604 1 4 . 1 1 108 108 GLY H H 108 9.116 9.116 7.572 1.544 19459 2605 1 4 . 1 1 109 109 ASP N N 109 127.143 127.143 123.063 4.080 19459 2606 1 4 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.538 0.223 19459 2607 1 4 . 1 1 109 109 ASP C C 109 173.724 173.724 176.563 -2.839 19459 2608 1 4 . 1 1 109 109 ASP CA C 109 53.723 53.723 56.036 -2.313 19459 2609 1 4 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.202 0.030 19459 2610 1 4 . 1 1 109 109 ASP H H 109 8.845 8.845 8.317 0.528 19459 2611 1 4 . 1 1 110 110 THR N N 110 115.044 115.044 110.518 4.526 19459 2612 1 4 . 1 1 110 110 THR HA H 110 4.663 4.663 4.525 0.138 19459 2613 1 4 . 1 1 110 110 THR C C 110 175.636 175.636 172.142 3.494 19459 2614 1 4 . 1 1 110 110 THR CA C 110 58.612 58.612 59.860 -1.248 19459 2615 1 4 . 1 1 110 110 THR CB C 110 71.146 71.146 70.374 0.772 19459 2616 1 4 . 1 1 110 110 THR H H 110 8.134 8.134 7.429 0.705 19459 2617 1 4 . 1 1 111 111 VAL N N 111 115.728 115.728 118.450 -2.722 19459 2618 1 4 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.754 0.561 19459 2619 1 4 . 1 1 111 111 VAL C C 111 174.752 174.752 174.128 0.624 19459 2620 1 4 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.541 -0.900 19459 2621 1 4 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.451 1.373 19459 2622 1 4 . 1 1 111 111 VAL H H 111 8.310 8.310 8.395 -0.085 19459 2623 1 4 . 1 1 112 112 ILE N N 112 117.116 117.116 119.906 -2.790 19459 2624 1 4 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.576 -0.070 19459 2625 1 4 . 1 1 112 112 ILE C C 112 174.637 174.637 173.445 1.192 19459 2626 1 4 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.509 -0.014 19459 2627 1 4 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.731 1.460 19459 2628 1 4 . 1 1 112 112 ILE H H 112 8.945 8.945 8.828 0.117 19459 2629 1 4 . 1 1 113 113 TRP N N 113 121.755 121.755 121.433 0.322 19459 2630 1 4 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.072 0.035 19459 2631 1 4 . 1 1 113 113 TRP C C 113 170.413 170.413 176.498 -6.085 19459 2632 1 4 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.847 -0.470 19459 2633 1 4 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.546 -1.250 19459 2634 1 4 . 1 1 113 113 TRP H H 113 7.567 7.567 8.347 -0.780 19459 2635 1 4 . 1 1 114 114 ASP N N 114 123.286 123.286 119.294 3.992 19459 2636 1 4 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.543 -0.336 19459 2637 1 4 . 1 1 114 114 ASP C C 114 174.083 174.083 176.400 -2.317 19459 2638 1 4 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.504 0.897 19459 2639 1 4 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.980 -0.831 19459 2640 1 4 . 1 1 114 114 ASP H H 114 9.451 9.451 8.609 0.842 19459 2641 1 4 . 1 1 115 115 GLN N N 115 116.139 116.139 119.836 -3.697 19459 2642 1 4 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.205 0.540 19459 2643 1 4 . 1 1 115 115 GLN C C 115 173.639 173.639 177.086 -3.447 19459 2644 1 4 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.667 -3.484 19459 2645 1 4 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.248 3.075 19459 2646 1 4 . 1 1 115 115 GLN H H 115 7.305 7.305 8.029 -0.724 19459 2647 1 4 . 1 1 116 116 GLU N N 116 120.881 120.881 125.630 -4.749 19459 2648 1 4 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.205 0.125 19459 2649 1 4 . 1 1 116 116 GLU C C 116 173.578 173.578 176.233 -2.655 19459 2650 1 4 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.670 -3.513 19459 2651 1 4 . 1 1 116 116 GLU CB C 116 30.215 30.215 29.998 0.216 19459 2652 1 4 . 1 1 116 116 GLU H H 116 8.615 8.615 8.825 -0.210 19459 2653 1 4 . 1 1 117 117 THR N N 117 119.889 119.889 109.166 10.723 19459 2654 1 4 . 1 1 117 117 THR HA H 117 3.609 3.609 4.353 -0.744 19459 2655 1 4 . 1 1 117 117 THR C C 117 176.699 176.699 171.831 4.868 19459 2656 1 4 . 1 1 117 117 THR CA C 117 61.757 61.757 60.396 1.361 19459 2657 1 4 . 1 1 117 117 THR CB C 117 69.799 69.799 69.995 -0.196 19459 2658 1 4 . 1 1 117 117 THR H H 117 8.075 8.075 7.480 0.595 19459 2659 1 4 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.289 0.243 19459 2660 1 4 . 1 1 118 118 PRO C C 118 175.300 175.300 175.723 -0.423 19459 2661 1 4 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.833 -0.473 19459 2662 1 4 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.761 1.127 19459 2663 1 4 . 1 1 119 119 ILE N N 119 114.729 114.729 122.016 -7.287 19459 2664 1 4 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.262 0.025 19459 2665 1 4 . 1 1 119 119 ILE C C 119 174.748 174.748 174.736 0.012 19459 2666 1 4 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.754 -1.512 19459 2667 1 4 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.897 -0.713 19459 2668 1 4 . 1 1 119 119 ILE H H 119 7.874 7.874 8.033 -0.159 19459 2669 1 4 . 1 1 120 120 CYS N N 120 123.444 123.444 125.569 -2.125 19459 2670 1 4 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.934 0.616 19459 2671 1 4 . 1 1 120 120 CYS C C 120 175.583 175.583 174.461 1.122 19459 2672 1 4 . 1 1 120 120 CYS CA C 120 53.694 53.694 57.870 -4.176 19459 2673 1 4 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.371 13.079 19459 2674 1 4 . 1 1 120 120 CYS H H 120 8.583 8.583 8.474 0.109 19459 2675 1 4 . 1 1 121 121 ASP N N 121 124.459 124.459 125.401 -0.942 19459 2676 1 4 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.527 0.780 19459 2677 1 4 . 1 1 121 121 ASP C C 121 174.495 174.495 176.566 -2.071 19459 2678 1 4 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.153 -2.936 19459 2679 1 4 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.424 2.979 19459 2680 1 4 . 1 1 121 121 ASP H H 121 9.309 9.309 9.176 0.133 19459 2681 1 5 . 1 1 2 2 CYS N N 2 117.967 117.967 118.132 -0.165 19459 2682 1 5 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.727 -0.200 19459 2683 1 5 . 1 1 2 2 CYS C C 2 174.023 174.023 175.324 -1.301 19459 2684 1 5 . 1 1 2 2 CYS CA C 2 58.972 58.972 58.857 0.115 19459 2685 1 5 . 1 1 2 2 CYS CB C 2 45.059 45.059 26.876 18.183 19459 2686 1 5 . 1 1 2 2 CYS H H 2 9.327 9.327 8.527 0.800 19459 2687 1 5 . 1 1 3 3 ASN N N 3 119.722 119.722 115.651 4.071 19459 2688 1 5 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.743 0.506 19459 2689 1 5 . 1 1 3 3 ASN C C 3 175.027 175.027 174.474 0.553 19459 2690 1 5 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.898 -1.385 19459 2691 1 5 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.052 2.591 19459 2692 1 5 . 1 1 3 3 ASN H H 3 8.686 8.686 8.461 0.225 19459 2693 1 5 . 1 1 4 4 ALA N N 4 122.403 122.403 117.949 4.454 19459 2694 1 5 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.677 -0.248 19459 2695 1 5 . 1 1 4 4 ALA C C 4 173.517 173.517 176.285 -2.768 19459 2696 1 5 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.510 -0.697 19459 2697 1 5 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.801 -1.814 19459 2698 1 5 . 1 1 4 4 ALA H H 4 8.401 8.401 8.332 0.069 19459 2699 1 5 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.291 -0.383 19459 2700 1 5 . 1 1 5 5 PRO C C 5 172.806 172.806 176.831 -4.025 19459 2701 1 5 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.978 -1.527 19459 2702 1 5 . 1 1 5 5 PRO CB C 5 31.552 31.552 31.938 -0.386 19459 2703 1 5 . 1 1 6 6 GLU N N 6 121.296 121.296 116.600 4.696 19459 2704 1 5 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.456 -0.265 19459 2705 1 5 . 1 1 6 6 GLU C C 6 172.835 172.835 175.206 -2.371 19459 2706 1 5 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.939 0.236 19459 2707 1 5 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.213 0.751 19459 2708 1 5 . 1 1 6 6 GLU H H 6 8.443 8.443 8.293 0.150 19459 2709 1 5 . 1 1 7 7 TRP N N 7 124.746 124.746 123.072 1.674 19459 2710 1 5 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.749 -0.817 19459 2711 1 5 . 1 1 7 7 TRP C C 7 174.236 174.236 175.138 -0.902 19459 2712 1 5 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.882 3.030 19459 2713 1 5 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.763 -0.730 19459 2714 1 5 . 1 1 7 7 TRP H H 7 8.674 8.674 8.506 0.168 19459 2715 1 5 . 1 1 8 8 LEU N N 8 125.782 125.782 131.457 -5.675 19459 2716 1 5 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.152 0.404 19459 2717 1 5 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.163 -0.198 19459 2718 1 5 . 1 1 8 8 LEU CB C 8 42.893 42.893 42.984 -0.091 19459 2719 1 5 . 1 1 8 8 LEU H H 8 7.922 7.922 8.115 -0.193 19459 2720 1 5 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.001 0.597 19459 2721 1 5 . 1 1 9 9 PRO C C 9 172.961 172.961 176.258 -3.297 19459 2722 1 5 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.792 -0.252 19459 2723 1 5 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.443 -0.006 19459 2724 1 5 . 1 1 10 10 PHE N N 10 106.863 106.863 112.110 -5.247 19459 2725 1 5 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.502 -0.893 19459 2726 1 5 . 1 1 10 10 PHE C C 10 175.535 175.535 173.623 1.912 19459 2727 1 5 . 1 1 10 10 PHE CA C 10 53.857 53.857 55.269 -1.411 19459 2728 1 5 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.371 3.404 19459 2729 1 5 . 1 1 10 10 PHE H H 10 5.588 5.588 6.484 -0.896 19459 2730 1 5 . 1 1 11 11 ALA N N 11 121.214 121.214 122.248 -1.034 19459 2731 1 5 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.131 0.012 19459 2732 1 5 . 1 1 11 11 ALA C C 11 175.918 175.918 175.995 -0.077 19459 2733 1 5 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.387 1.481 19459 2734 1 5 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.174 2.556 19459 2735 1 5 . 1 1 11 11 ALA H H 11 6.349 6.349 7.282 -0.933 19459 2736 1 5 . 1 1 12 12 ARG N N 12 117.160 117.160 120.718 -3.558 19459 2737 1 5 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.683 0.014 19459 2738 1 5 . 1 1 12 12 ARG C C 12 178.499 178.499 173.467 5.032 19459 2739 1 5 . 1 1 12 12 ARG CB C 12 30.865 30.865 31.154 -0.289 19459 2740 1 5 . 1 1 12 12 ARG H H 12 9.219 9.219 8.711 0.508 19459 2741 1 5 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.649 -0.981 19459 2742 1 5 . 1 1 13 13 PRO C C 13 171.555 171.555 176.959 -5.404 19459 2743 1 5 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.382 -1.001 19459 2744 1 5 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.089 -0.541 19459 2745 1 5 . 1 1 14 14 THR N N 14 112.823 112.823 115.375 -2.552 19459 2746 1 5 . 1 1 14 14 THR HA H 14 3.905 3.905 4.356 -0.451 19459 2747 1 5 . 1 1 14 14 THR C C 14 174.364 174.364 174.839 -0.475 19459 2748 1 5 . 1 1 14 14 THR CA C 14 63.180 63.180 62.675 0.505 19459 2749 1 5 . 1 1 14 14 THR CB C 14 68.154 68.154 68.928 -0.774 19459 2750 1 5 . 1 1 14 14 THR H H 14 8.062 8.062 8.304 -0.242 19459 2751 1 5 . 1 1 15 15 GLN N N 15 119.736 119.736 118.818 0.918 19459 2752 1 5 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.458 0.043 19459 2753 1 5 . 1 1 15 15 GLN C C 15 174.815 174.815 176.532 -1.717 19459 2754 1 5 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.388 -3.021 19459 2755 1 5 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.180 1.936 19459 2756 1 5 . 1 1 15 15 GLN H H 15 7.758 7.758 8.014 -0.256 19459 2757 1 5 . 1 1 16 16 LEU N N 16 124.583 124.583 120.467 4.116 19459 2758 1 5 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.045 0.316 19459 2759 1 5 . 1 1 16 16 LEU C C 16 172.167 172.167 177.326 -5.159 19459 2760 1 5 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.938 -1.641 19459 2761 1 5 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.690 0.345 19459 2762 1 5 . 1 1 16 16 LEU H H 16 8.458 8.458 8.298 0.160 19459 2763 1 5 . 1 1 17 17 THR N N 17 116.730 116.730 111.049 5.681 19459 2764 1 5 . 1 1 17 17 THR HA H 17 4.633 4.633 3.912 0.721 19459 2765 1 5 . 1 1 17 17 THR C C 17 175.703 175.703 175.503 0.200 19459 2766 1 5 . 1 1 17 17 THR CA C 17 60.358 60.358 64.533 -4.175 19459 2767 1 5 . 1 1 17 17 THR CB C 17 70.110 70.110 68.693 1.417 19459 2768 1 5 . 1 1 17 17 THR H H 17 8.325 8.325 7.896 0.429 19459 2769 1 5 . 1 1 18 18 ASP N N 18 122.839 122.839 118.318 4.521 19459 2770 1 5 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.873 -0.131 19459 2771 1 5 . 1 1 18 18 ASP C C 18 173.642 173.642 175.365 -1.723 19459 2772 1 5 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.509 -1.296 19459 2773 1 5 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.318 -2.396 19459 2774 1 5 . 1 1 18 18 ASP H H 18 8.487 8.487 7.755 0.732 19459 2775 1 5 . 1 1 19 19 GLU N N 19 120.523 120.523 119.710 0.813 19459 2776 1 5 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.450 -0.377 19459 2777 1 5 . 1 1 19 19 GLU C C 19 174.249 174.249 176.248 -1.999 19459 2778 1 5 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.732 1.418 19459 2779 1 5 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.090 0.253 19459 2780 1 5 . 1 1 19 19 GLU H H 19 7.931 7.931 7.376 0.555 19459 2781 1 5 . 1 1 20 20 PHE N N 20 118.500 118.500 120.580 -2.080 19459 2782 1 5 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.324 0.422 19459 2783 1 5 . 1 1 20 20 PHE C C 20 174.885 174.885 176.262 -1.377 19459 2784 1 5 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.124 -4.610 19459 2785 1 5 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.611 0.872 19459 2786 1 5 . 1 1 20 20 PHE H H 20 8.279 8.279 7.937 0.342 19459 2787 1 5 . 1 1 21 21 GLU N N 21 117.080 117.080 115.654 1.426 19459 2788 1 5 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.801 0.209 19459 2789 1 5 . 1 1 21 21 GLU C C 21 174.900 174.900 174.705 0.195 19459 2790 1 5 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.328 -1.055 19459 2791 1 5 . 1 1 21 21 GLU CB C 21 31.373 31.373 33.934 -2.562 19459 2792 1 5 . 1 1 21 21 GLU H H 21 7.022 7.022 7.759 -0.737 19459 2793 1 5 . 1 1 22 22 PHE N N 22 119.655 119.655 118.501 1.154 19459 2794 1 5 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.912 0.057 19459 2795 1 5 . 1 1 22 22 PHE C C 22 176.708 176.708 173.515 3.193 19459 2796 1 5 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.860 -1.084 19459 2797 1 5 . 1 1 22 22 PHE CB C 22 41.746 41.746 40.787 0.959 19459 2798 1 5 . 1 1 22 22 PHE H H 22 8.974 8.974 7.900 1.074 19459 2799 1 5 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.452 0.136 19459 2800 1 5 . 1 1 23 23 PRO C C 23 171.163 171.163 176.198 -5.035 19459 2801 1 5 . 1 1 23 23 PRO CA C 23 62.417 62.417 64.320 -1.903 19459 2802 1 5 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.252 0.403 19459 2803 1 5 . 1 1 24 24 ILE N N 24 123.238 123.238 113.962 9.276 19459 2804 1 5 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.990 -0.580 19459 2805 1 5 . 1 1 24 24 ILE C C 24 172.283 172.283 175.312 -3.029 19459 2806 1 5 . 1 1 24 24 ILE CA C 24 64.046 64.046 61.438 2.608 19459 2807 1 5 . 1 1 24 24 ILE CB C 24 37.449 37.449 40.163 -2.714 19459 2808 1 5 . 1 1 24 24 ILE H H 24 8.199 8.199 7.637 0.562 19459 2809 1 5 . 1 1 25 25 GLY N N 25 115.962 115.962 112.175 3.787 19459 2810 1 5 . 1 1 25 25 GLY C C 25 174.927 174.927 173.868 1.059 19459 2811 1 5 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.654 -1.231 19459 2812 1 5 . 1 1 25 25 GLY H H 25 9.061 9.061 8.410 0.651 19459 2813 1 5 . 1 1 26 26 THR N N 26 117.152 117.152 116.225 0.927 19459 2814 1 5 . 1 1 26 26 THR HA H 26 4.081 4.081 4.509 -0.428 19459 2815 1 5 . 1 1 26 26 THR C C 26 176.723 176.723 173.298 3.425 19459 2816 1 5 . 1 1 26 26 THR CA C 26 65.711 65.711 61.342 4.369 19459 2817 1 5 . 1 1 26 26 THR CB C 26 70.084 70.084 70.268 -0.184 19459 2818 1 5 . 1 1 26 26 THR H H 26 7.704 7.704 7.620 0.084 19459 2819 1 5 . 1 1 27 27 TYR N N 27 125.094 125.094 126.074 -0.980 19459 2820 1 5 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.834 0.958 19459 2821 1 5 . 1 1 27 27 TYR C C 27 173.835 173.835 175.857 -2.022 19459 2822 1 5 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.360 -2.497 19459 2823 1 5 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.377 1.499 19459 2824 1 5 . 1 1 27 27 TYR H H 27 8.542 8.542 8.795 -0.253 19459 2825 1 5 . 1 1 28 28 LEU N N 28 120.714 120.714 124.408 -3.694 19459 2826 1 5 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.785 -0.001 19459 2827 1 5 . 1 1 28 28 LEU C C 28 172.808 172.808 176.087 -3.279 19459 2828 1 5 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.539 -0.356 19459 2829 1 5 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.804 1.134 19459 2830 1 5 . 1 1 28 28 LEU H H 28 9.000 9.000 8.228 0.772 19459 2831 1 5 . 1 1 29 29 ASN N N 29 121.617 121.617 121.290 0.327 19459 2832 1 5 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.825 0.075 19459 2833 1 5 . 1 1 29 29 ASN C C 29 174.783 174.783 174.165 0.618 19459 2834 1 5 . 1 1 29 29 ASN CA C 29 54.232 54.232 53.197 1.035 19459 2835 1 5 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.721 0.470 19459 2836 1 5 . 1 1 29 29 ASN H H 29 8.544 8.544 8.868 -0.324 19459 2837 1 5 . 1 1 30 30 TYR N N 30 126.738 126.738 125.853 0.885 19459 2838 1 5 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.787 -0.101 19459 2839 1 5 . 1 1 30 30 TYR C C 30 174.911 174.911 174.863 0.048 19459 2840 1 5 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.509 0.392 19459 2841 1 5 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.919 3.923 19459 2842 1 5 . 1 1 30 30 TYR H H 30 9.324 9.324 9.028 0.296 19459 2843 1 5 . 1 1 31 31 GLU N N 31 114.116 114.116 120.847 -6.731 19459 2844 1 5 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.708 0.002 19459 2845 1 5 . 1 1 31 31 GLU C C 31 173.694 173.694 174.342 -0.648 19459 2846 1 5 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.928 -1.809 19459 2847 1 5 . 1 1 31 31 GLU CB C 31 32.626 32.626 34.041 -1.415 19459 2848 1 5 . 1 1 31 31 GLU H H 31 8.553 8.553 8.579 -0.026 19459 2849 1 5 . 1 1 32 32 CYS N N 32 121.086 121.086 121.065 0.021 19459 2850 1 5 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.214 -0.163 19459 2851 1 5 . 1 1 32 32 CYS C C 32 173.553 173.553 176.122 -2.569 19459 2852 1 5 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.304 -3.824 19459 2853 1 5 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.735 9.752 19459 2854 1 5 . 1 1 32 32 CYS H H 32 9.784 9.784 8.879 0.905 19459 2855 1 5 . 1 1 33 33 ARG N N 33 123.418 123.418 123.369 0.049 19459 2856 1 5 . 1 1 33 33 ARG C C 33 176.822 176.822 174.572 2.250 19459 2857 1 5 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.345 0.966 19459 2858 1 5 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.971 -0.628 19459 2859 1 5 . 1 1 33 33 ARG H H 33 7.898 7.898 8.028 -0.130 19459 2860 1 5 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.337 0.043 19459 2861 1 5 . 1 1 34 34 PRO CA C 34 64.055 64.055 64.068 -0.013 19459 2862 1 5 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.625 -0.290 19459 2863 1 5 . 1 1 35 35 GLY N N 35 111.039 111.039 108.721 2.318 19459 2864 1 5 . 1 1 35 35 GLY C C 35 177.546 177.546 173.402 4.144 19459 2865 1 5 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.994 -1.095 19459 2866 1 5 . 1 1 35 35 GLY H H 35 8.378 8.378 8.697 -0.319 19459 2867 1 5 . 1 1 36 36 TYR N N 36 116.682 116.682 118.842 -2.160 19459 2868 1 5 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.510 -0.489 19459 2869 1 5 . 1 1 36 36 TYR C C 36 174.005 174.005 176.009 -2.004 19459 2870 1 5 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.146 0.349 19459 2871 1 5 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.903 1.079 19459 2872 1 5 . 1 1 36 36 TYR H H 36 8.175 8.175 7.441 0.734 19459 2873 1 5 . 1 1 37 37 SER N N 37 115.855 115.855 119.361 -3.506 19459 2874 1 5 . 1 1 37 37 SER HA H 37 4.819 4.819 4.190 0.629 19459 2875 1 5 . 1 1 37 37 SER C C 37 175.442 175.442 175.344 0.098 19459 2876 1 5 . 1 1 37 37 SER CA C 37 56.534 56.534 61.749 -5.215 19459 2877 1 5 . 1 1 37 37 SER CB C 37 65.642 65.642 63.730 1.912 19459 2878 1 5 . 1 1 37 37 SER H H 37 9.711 9.711 8.598 1.113 19459 2879 1 5 . 1 1 38 38 GLY N N 38 113.435 113.435 108.399 5.036 19459 2880 1 5 . 1 1 38 38 GLY C C 38 175.876 175.876 173.609 2.267 19459 2881 1 5 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.911 0.357 19459 2882 1 5 . 1 1 38 38 GLY H H 38 8.288 8.288 8.167 0.121 19459 2883 1 5 . 1 1 39 39 ARG N N 39 124.199 124.199 122.181 2.018 19459 2884 1 5 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.610 0.129 19459 2885 1 5 . 1 1 39 39 ARG C C 39 175.413 175.413 174.246 1.167 19459 2886 1 5 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.681 2.059 19459 2887 1 5 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.982 -1.348 19459 2888 1 5 . 1 1 39 39 ARG H H 39 8.350 8.350 8.240 0.110 19459 2889 1 5 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.895 -0.237 19459 2890 1 5 . 1 1 40 40 PRO C C 40 173.702 173.702 175.915 -2.213 19459 2891 1 5 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.825 1.645 19459 2892 1 5 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.150 0.038 19459 2893 1 5 . 1 1 41 41 PHE N N 41 118.388 118.388 121.345 -2.957 19459 2894 1 5 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.789 0.374 19459 2895 1 5 . 1 1 41 41 PHE C C 41 176.886 176.886 174.204 2.682 19459 2896 1 5 . 1 1 41 41 PHE CA C 41 55.566 55.566 57.013 -1.446 19459 2897 1 5 . 1 1 41 41 PHE CB C 41 41.264 41.264 43.148 -1.884 19459 2898 1 5 . 1 1 41 41 PHE H H 41 8.017 8.017 8.607 -0.590 19459 2899 1 5 . 1 1 42 42 SER N N 42 114.056 114.056 115.967 -1.911 19459 2900 1 5 . 1 1 42 42 SER HA H 42 5.771 5.771 5.947 -0.176 19459 2901 1 5 . 1 1 42 42 SER C C 42 174.978 174.978 173.870 1.108 19459 2902 1 5 . 1 1 42 42 SER CA C 42 56.668 56.668 57.022 -0.354 19459 2903 1 5 . 1 1 42 42 SER CB C 42 66.152 66.152 66.273 -0.121 19459 2904 1 5 . 1 1 42 42 SER H H 42 8.540 8.540 8.576 -0.036 19459 2905 1 5 . 1 1 43 43 ILE N N 43 115.669 115.669 118.926 -3.257 19459 2906 1 5 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.610 0.455 19459 2907 1 5 . 1 1 43 43 ILE C C 43 174.535 174.535 173.894 0.641 19459 2908 1 5 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.351 -0.307 19459 2909 1 5 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.314 1.041 19459 2910 1 5 . 1 1 43 43 ILE H H 43 8.637 8.637 7.828 0.809 19459 2911 1 5 . 1 1 44 44 ILE N N 44 120.215 120.215 124.390 -4.175 19459 2912 1 5 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.986 0.300 19459 2913 1 5 . 1 1 44 44 ILE C C 44 174.033 174.033 176.877 -2.844 19459 2914 1 5 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.826 0.830 19459 2915 1 5 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.131 2.199 19459 2916 1 5 . 1 1 44 44 ILE H H 44 8.687 8.687 8.151 0.536 19459 2917 1 5 . 1 1 45 45 CYS N N 45 126.257 126.257 127.499 -1.242 19459 2918 1 5 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.092 -0.340 19459 2919 1 5 . 1 1 45 45 CYS C C 45 174.946 174.946 175.917 -0.971 19459 2920 1 5 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.911 -4.845 19459 2921 1 5 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.748 14.863 19459 2922 1 5 . 1 1 45 45 CYS H H 45 7.993 7.993 8.770 -0.777 19459 2923 1 5 . 1 1 46 46 LEU N N 46 132.514 132.514 124.220 8.294 19459 2924 1 5 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.312 0.104 19459 2925 1 5 . 1 1 46 46 LEU C C 46 172.195 172.195 176.888 -4.693 19459 2926 1 5 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.942 -1.598 19459 2927 1 5 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.672 1.532 19459 2928 1 5 . 1 1 46 46 LEU H H 46 8.826 8.826 8.433 0.393 19459 2929 1 5 . 1 1 47 47 LYS N N 47 115.254 115.254 120.215 -4.961 19459 2930 1 5 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.200 -0.212 19459 2931 1 5 . 1 1 47 47 LYS C C 47 173.781 173.781 176.316 -2.535 19459 2932 1 5 . 1 1 47 47 LYS CA C 47 57.983 57.983 56.741 1.242 19459 2933 1 5 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.628 -1.420 19459 2934 1 5 . 1 1 47 47 LYS H H 47 7.949 7.949 8.173 -0.224 19459 2935 1 5 . 1 1 48 48 ASN N N 48 115.283 115.283 123.203 -7.920 19459 2936 1 5 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.388 0.148 19459 2937 1 5 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.704 -0.164 19459 2938 1 5 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.458 -1.086 19459 2939 1 5 . 1 1 48 48 ASN H H 48 8.432 8.432 9.243 -0.811 19459 2940 1 5 . 1 1 49 49 SER N N 49 110.595 110.595 106.605 3.990 19459 2941 1 5 . 1 1 49 49 SER HA H 49 3.969 3.969 3.894 0.075 19459 2942 1 5 . 1 1 49 49 SER CA C 49 59.790 59.790 59.882 -0.092 19459 2943 1 5 . 1 1 49 49 SER CB C 49 60.870 60.870 62.222 -1.352 19459 2944 1 5 . 1 1 49 49 SER H H 49 8.457 8.457 7.920 0.537 19459 2945 1 5 . 1 1 50 50 VAL N N 50 117.680 117.680 118.711 -1.031 19459 2946 1 5 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.890 0.443 19459 2947 1 5 . 1 1 50 50 VAL C C 50 175.347 175.347 175.593 -0.246 19459 2948 1 5 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.864 -3.980 19459 2949 1 5 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.662 2.175 19459 2950 1 5 . 1 1 50 50 VAL H H 50 6.840 6.840 7.769 -0.929 19459 2951 1 5 . 1 1 51 51 TRP N N 51 123.510 123.510 115.064 8.446 19459 2952 1 5 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.014 0.308 19459 2953 1 5 . 1 1 51 51 TRP C C 51 170.736 170.736 176.185 -5.449 19459 2954 1 5 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.355 -0.418 19459 2955 1 5 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.482 -1.691 19459 2956 1 5 . 1 1 51 51 TRP H H 51 8.310 8.310 7.609 0.701 19459 2957 1 5 . 1 1 52 52 THR N N 52 115.962 115.962 116.289 -0.327 19459 2958 1 5 . 1 1 52 52 THR HA H 52 4.656 4.656 4.260 0.396 19459 2959 1 5 . 1 1 52 52 THR C C 52 175.780 175.780 175.183 0.597 19459 2960 1 5 . 1 1 52 52 THR CA C 52 61.376 61.376 64.508 -3.132 19459 2961 1 5 . 1 1 52 52 THR CB C 52 70.723 70.723 69.381 1.342 19459 2962 1 5 . 1 1 52 52 THR H H 52 9.026 9.026 8.589 0.437 19459 2963 1 5 . 1 1 53 53 GLY N N 53 108.521 108.521 106.891 1.630 19459 2964 1 5 . 1 1 53 53 GLY C C 53 174.881 174.881 172.185 2.696 19459 2965 1 5 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.454 0.890 19459 2966 1 5 . 1 1 53 53 GLY H H 53 8.292 8.292 7.798 0.494 19459 2967 1 5 . 1 1 54 54 ALA N N 54 121.857 121.857 128.233 -6.376 19459 2968 1 5 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.447 -0.294 19459 2969 1 5 . 1 1 54 54 ALA C C 54 172.786 172.786 176.490 -3.704 19459 2970 1 5 . 1 1 54 54 ALA CA C 54 51.697 51.697 50.979 0.718 19459 2971 1 5 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.103 1.611 19459 2972 1 5 . 1 1 54 54 ALA H H 54 8.443 8.443 8.285 0.158 19459 2973 1 5 . 1 1 55 55 LYS N N 55 118.318 118.318 120.764 -2.446 19459 2974 1 5 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.550 -0.806 19459 2975 1 5 . 1 1 55 55 LYS C C 55 172.519 172.519 175.803 -3.284 19459 2976 1 5 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.650 2.294 19459 2977 1 5 . 1 1 55 55 LYS CB C 55 32.632 32.632 34.530 -1.898 19459 2978 1 5 . 1 1 55 55 LYS H H 55 7.612 7.612 7.399 0.213 19459 2979 1 5 . 1 1 56 56 ASP N N 56 119.214 119.214 118.888 0.326 19459 2980 1 5 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.123 -0.006 19459 2981 1 5 . 1 1 56 56 ASP C C 56 173.700 173.700 176.935 -3.235 19459 2982 1 5 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.366 0.018 19459 2983 1 5 . 1 1 56 56 ASP CB C 56 39.170 39.170 40.700 -1.530 19459 2984 1 5 . 1 1 56 56 ASP H H 56 8.555 8.555 8.901 -0.346 19459 2985 1 5 . 1 1 57 57 ARG N N 57 116.006 116.006 116.882 -0.876 19459 2986 1 5 . 1 1 57 57 ARG HA H 57 3.880 3.880 3.697 0.183 19459 2987 1 5 . 1 1 57 57 ARG C C 57 171.638 171.638 175.836 -4.198 19459 2988 1 5 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.361 -1.434 19459 2989 1 5 . 1 1 57 57 ARG CB C 57 32.157 32.157 29.853 2.304 19459 2990 1 5 . 1 1 57 57 ARG H H 57 7.352 7.352 8.208 -0.856 19459 2991 1 5 . 1 1 58 58 CYS N N 58 115.000 115.000 116.933 -1.933 19459 2992 1 5 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.751 0.823 19459 2993 1 5 . 1 1 58 58 CYS C C 58 175.576 175.576 173.690 1.886 19459 2994 1 5 . 1 1 58 58 CYS CA C 58 52.852 52.852 58.013 -5.161 19459 2995 1 5 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.828 14.748 19459 2996 1 5 . 1 1 58 58 CYS H H 58 7.587 7.587 7.733 -0.146 19459 2997 1 5 . 1 1 59 59 ARG N N 59 123.440 123.440 120.839 2.601 19459 2998 1 5 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.681 0.079 19459 2999 1 5 . 1 1 59 59 ARG C C 59 173.566 173.566 175.112 -1.546 19459 3000 1 5 . 1 1 59 59 ARG CA C 59 54.239 54.239 55.104 -0.865 19459 3001 1 5 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.675 -0.873 19459 3002 1 5 . 1 1 59 59 ARG H H 59 8.984 8.984 8.756 0.228 19459 3003 1 5 . 1 1 60 60 ARG N N 60 125.644 125.644 121.212 4.432 19459 3004 1 5 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.907 -1.256 19459 3005 1 5 . 1 1 60 60 ARG C C 60 172.119 172.119 175.513 -3.394 19459 3006 1 5 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.270 4.028 19459 3007 1 5 . 1 1 60 60 ARG CB C 60 31.268 31.268 32.526 -1.258 19459 3008 1 5 . 1 1 60 60 ARG H H 60 9.163 9.163 8.470 0.693 19459 3009 1 5 . 1 1 61 61 LYS N N 61 124.217 124.217 122.316 1.901 19459 3010 1 5 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.393 -0.276 19459 3011 1 5 . 1 1 61 61 LYS C C 61 173.791 173.791 175.811 -2.020 19459 3012 1 5 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.309 1.889 19459 3013 1 5 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.490 1.724 19459 3014 1 5 . 1 1 61 61 LYS H H 61 8.601 8.601 8.249 0.352 19459 3015 1 5 . 1 1 62 62 SER N N 62 114.120 114.120 117.682 -3.562 19459 3016 1 5 . 1 1 62 62 SER HA H 62 4.765 4.765 4.471 0.294 19459 3017 1 5 . 1 1 62 62 SER C C 62 175.019 175.019 174.958 0.061 19459 3018 1 5 . 1 1 62 62 SER CA C 62 58.227 58.227 58.464 -0.237 19459 3019 1 5 . 1 1 62 62 SER CB C 62 65.387 65.387 63.862 1.525 19459 3020 1 5 . 1 1 62 62 SER H H 62 8.494 8.494 8.337 0.157 19459 3021 1 5 . 1 1 63 63 CYS N N 63 122.858 122.858 125.370 -2.512 19459 3022 1 5 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.496 -0.428 19459 3023 1 5 . 1 1 63 63 CYS C C 63 176.076 176.076 174.042 2.034 19459 3024 1 5 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.996 2.271 19459 3025 1 5 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.449 12.319 19459 3026 1 5 . 1 1 63 63 CYS H H 63 8.359 8.359 8.566 -0.207 19459 3027 1 5 . 1 1 64 64 ARG N N 64 118.145 118.145 121.092 -2.947 19459 3028 1 5 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.651 -0.485 19459 3029 1 5 . 1 1 64 64 ARG C C 64 173.077 173.077 174.257 -1.180 19459 3030 1 5 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.934 1.046 19459 3031 1 5 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.521 -2.062 19459 3032 1 5 . 1 1 64 64 ARG H H 64 8.496 8.496 8.485 0.011 19459 3033 1 5 . 1 1 65 65 ASN N N 65 122.302 122.302 119.168 3.134 19459 3034 1 5 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.059 -0.325 19459 3035 1 5 . 1 1 65 65 ASN C C 65 175.117 175.117 173.812 1.305 19459 3036 1 5 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.769 0.343 19459 3037 1 5 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.615 -1.248 19459 3038 1 5 . 1 1 65 65 ASN H H 65 8.691 8.691 8.869 -0.178 19459 3039 1 5 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.302 0.181 19459 3040 1 5 . 1 1 67 67 PRO C C 67 172.228 172.228 176.893 -4.665 19459 3041 1 5 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.417 -1.751 19459 3042 1 5 . 1 1 67 67 PRO CB C 67 32.487 32.487 32.026 0.461 19459 3043 1 5 . 1 1 68 68 ASP N N 68 118.184 118.184 120.276 -2.092 19459 3044 1 5 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.469 0.173 19459 3045 1 5 . 1 1 68 68 ASP C C 68 173.951 173.951 174.030 -0.079 19459 3046 1 5 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.414 -1.235 19459 3047 1 5 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.775 -0.276 19459 3048 1 5 . 1 1 68 68 ASP H H 68 8.201 8.201 8.144 0.057 19459 3049 1 5 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.546 -0.310 19459 3050 1 5 . 1 1 69 69 PRO C C 69 172.350 172.350 177.772 -5.422 19459 3051 1 5 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.439 -0.528 19459 3052 1 5 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.047 -1.812 19459 3053 1 5 . 1 1 70 70 VAL N N 70 125.745 125.745 120.356 5.389 19459 3054 1 5 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.739 -0.080 19459 3055 1 5 . 1 1 70 70 VAL C C 70 171.231 171.231 176.835 -5.604 19459 3056 1 5 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.299 -0.635 19459 3057 1 5 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.778 -0.927 19459 3058 1 5 . 1 1 70 70 VAL H H 70 8.251 8.251 8.721 -0.470 19459 3059 1 5 . 1 1 71 71 ASN N N 71 119.702 119.702 115.370 4.332 19459 3060 1 5 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.798 -0.797 19459 3061 1 5 . 1 1 71 71 ASN C C 71 176.167 176.167 176.060 0.107 19459 3062 1 5 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.497 3.023 19459 3063 1 5 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.757 -2.515 19459 3064 1 5 . 1 1 71 71 ASN H H 71 8.994 8.994 8.228 0.766 19459 3065 1 5 . 1 1 72 72 GLY N N 72 104.254 104.254 107.482 -3.228 19459 3066 1 5 . 1 1 72 72 GLY C C 72 177.732 177.732 174.307 3.425 19459 3067 1 5 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.500 1.598 19459 3068 1 5 . 1 1 72 72 GLY H H 72 7.637 7.637 8.079 -0.442 19459 3069 1 5 . 1 1 73 73 MET N N 73 116.529 116.529 120.465 -3.936 19459 3070 1 5 . 1 1 73 73 MET HA H 73 4.887 4.887 4.791 0.096 19459 3071 1 5 . 1 1 73 73 MET C C 73 175.128 175.128 174.031 1.097 19459 3072 1 5 . 1 1 73 73 MET CA C 73 54.890 54.890 54.895 -0.005 19459 3073 1 5 . 1 1 73 73 MET CB C 73 36.837 36.837 33.358 3.479 19459 3074 1 5 . 1 1 73 73 MET H H 73 8.819 8.819 7.593 1.226 19459 3075 1 5 . 1 1 74 74 VAL N N 74 122.511 122.511 123.351 -0.840 19459 3076 1 5 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.980 -0.377 19459 3077 1 5 . 1 1 74 74 VAL C C 74 176.573 176.573 174.479 2.094 19459 3078 1 5 . 1 1 74 74 VAL CA C 74 59.009 59.009 58.799 0.210 19459 3079 1 5 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.470 0.032 19459 3080 1 5 . 1 1 74 74 VAL H H 74 8.796 8.796 8.307 0.489 19459 3081 1 5 . 1 1 75 75 HIS N N 75 125.200 125.200 126.306 -1.106 19459 3082 1 5 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.901 -0.187 19459 3083 1 5 . 1 1 75 75 HIS C C 75 175.500 175.500 173.562 1.938 19459 3084 1 5 . 1 1 75 75 HIS CA C 75 53.685 53.685 53.676 0.009 19459 3085 1 5 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.282 -4.274 19459 3086 1 5 . 1 1 75 75 HIS H H 75 8.977 8.977 8.214 0.763 19459 3087 1 5 . 1 1 76 76 VAL N N 76 127.456 127.456 120.206 7.250 19459 3088 1 5 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.204 -0.032 19459 3089 1 5 . 1 1 76 76 VAL C C 76 173.257 173.257 174.551 -1.294 19459 3090 1 5 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.707 1.491 19459 3091 1 5 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.355 -2.015 19459 3092 1 5 . 1 1 76 76 VAL H H 76 8.926 8.926 8.445 0.481 19459 3093 1 5 . 1 1 77 77 ILE N N 77 126.756 126.756 128.247 -1.491 19459 3094 1 5 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.155 -0.004 19459 3095 1 5 . 1 1 77 77 ILE C C 77 172.744 172.744 177.116 -4.372 19459 3096 1 5 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.304 -0.370 19459 3097 1 5 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.848 0.324 19459 3098 1 5 . 1 1 77 77 ILE H H 77 7.978 7.978 8.543 -0.565 19459 3099 1 5 . 1 1 78 78 LYS N N 78 123.427 123.427 118.933 4.494 19459 3100 1 5 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.402 0.175 19459 3101 1 5 . 1 1 78 78 LYS C C 78 172.800 172.800 177.087 -4.287 19459 3102 1 5 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.801 -0.418 19459 3103 1 5 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.710 0.142 19459 3104 1 5 . 1 1 78 78 LYS H H 78 9.415 9.415 8.027 1.388 19459 3105 1 5 . 1 1 79 79 GLY N N 79 108.777 108.777 106.509 2.268 19459 3106 1 5 . 1 1 79 79 GLY C C 79 176.221 176.221 174.494 1.727 19459 3107 1 5 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.954 -0.072 19459 3108 1 5 . 1 1 79 79 GLY H H 79 7.857 7.857 8.263 -0.406 19459 3109 1 5 . 1 1 80 80 ILE N N 80 109.131 109.131 117.293 -8.162 19459 3110 1 5 . 1 1 80 80 ILE HA H 80 4.958 4.958 3.955 1.003 19459 3111 1 5 . 1 1 80 80 ILE C C 80 174.883 174.883 174.277 0.606 19459 3112 1 5 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.634 -0.977 19459 3113 1 5 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.969 1.742 19459 3114 1 5 . 1 1 80 80 ILE H H 80 8.076 8.076 7.953 0.123 19459 3115 1 5 . 1 1 81 81 GLN N N 81 116.732 116.732 121.984 -5.252 19459 3116 1 5 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.484 0.182 19459 3117 1 5 . 1 1 81 81 GLN C C 81 172.989 172.989 173.933 -0.944 19459 3118 1 5 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.535 0.966 19459 3119 1 5 . 1 1 81 81 GLN CB C 81 30.674 30.674 31.902 -1.228 19459 3120 1 5 . 1 1 81 81 GLN H H 81 7.682 7.682 7.878 -0.196 19459 3121 1 5 . 1 1 82 82 PHE N N 82 119.773 119.773 123.862 -4.089 19459 3122 1 5 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.061 -0.181 19459 3123 1 5 . 1 1 82 82 PHE C C 82 173.680 173.680 176.026 -2.346 19459 3124 1 5 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.481 -0.796 19459 3125 1 5 . 1 1 82 82 PHE CB C 82 40.119 40.119 38.751 1.368 19459 3126 1 5 . 1 1 82 82 PHE H H 82 8.615 8.615 8.947 -0.332 19459 3127 1 5 . 1 1 83 83 GLY N N 83 119.507 119.507 114.935 4.572 19459 3128 1 5 . 1 1 83 83 GLY C C 83 174.662 174.662 173.955 0.707 19459 3129 1 5 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.553 -0.062 19459 3130 1 5 . 1 1 83 83 GLY H H 83 9.086 9.086 8.553 0.533 19459 3131 1 5 . 1 1 84 84 SER N N 84 118.128 118.128 117.490 0.638 19459 3132 1 5 . 1 1 84 84 SER HA H 84 4.415 4.415 4.468 -0.053 19459 3133 1 5 . 1 1 84 84 SER C C 84 177.247 177.247 173.393 3.854 19459 3134 1 5 . 1 1 84 84 SER CA C 84 60.111 60.111 59.321 0.790 19459 3135 1 5 . 1 1 84 84 SER CB C 84 64.281 64.281 64.702 -0.421 19459 3136 1 5 . 1 1 84 84 SER H H 84 8.573 8.573 7.824 0.749 19459 3137 1 5 . 1 1 85 85 GLN N N 85 119.913 119.913 125.804 -5.891 19459 3138 1 5 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.784 0.035 19459 3139 1 5 . 1 1 85 85 GLN C C 85 172.795 172.795 174.935 -2.140 19459 3140 1 5 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.233 -0.068 19459 3141 1 5 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.147 0.597 19459 3142 1 5 . 1 1 85 85 GLN H H 85 8.211 8.211 8.568 -0.357 19459 3143 1 5 . 1 1 86 86 ILE N N 86 119.724 119.724 119.177 0.547 19459 3144 1 5 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.772 -0.015 19459 3145 1 5 . 1 1 86 86 ILE C C 86 174.969 174.969 174.087 0.882 19459 3146 1 5 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.584 1.243 19459 3147 1 5 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.569 -0.775 19459 3148 1 5 . 1 1 86 86 ILE H H 86 9.215 9.215 9.215 -0.000 19459 3149 1 5 . 1 1 87 87 LYS N N 87 117.135 117.135 120.772 -3.637 19459 3150 1 5 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.165 0.070 19459 3151 1 5 . 1 1 87 87 LYS C C 87 174.599 174.599 175.459 -0.860 19459 3152 1 5 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.062 -0.349 19459 3153 1 5 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.914 1.913 19459 3154 1 5 . 1 1 87 87 LYS H H 87 7.600 7.600 8.653 -1.053 19459 3155 1 5 . 1 1 88 88 TYR N N 88 119.004 119.004 123.842 -4.838 19459 3156 1 5 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.954 0.468 19459 3157 1 5 . 1 1 88 88 TYR C C 88 174.407 174.407 174.828 -0.421 19459 3158 1 5 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.369 -0.434 19459 3159 1 5 . 1 1 88 88 TYR CB C 88 43.959 43.959 41.159 2.800 19459 3160 1 5 . 1 1 88 88 TYR H H 88 8.601 8.601 9.437 -0.836 19459 3161 1 5 . 1 1 89 89 SER N N 89 113.228 113.228 116.781 -3.553 19459 3162 1 5 . 1 1 89 89 SER HA H 89 4.668 4.668 5.316 -0.648 19459 3163 1 5 . 1 1 89 89 SER C C 89 177.136 177.136 173.947 3.189 19459 3164 1 5 . 1 1 89 89 SER CA C 89 57.291 57.291 55.587 1.704 19459 3165 1 5 . 1 1 89 89 SER CB C 89 66.534 66.534 65.538 0.996 19459 3166 1 5 . 1 1 89 89 SER H H 89 9.007 9.007 9.149 -0.142 19459 3167 1 5 . 1 1 90 90 CYS N N 90 116.009 116.009 123.871 -7.862 19459 3168 1 5 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.466 0.955 19459 3169 1 5 . 1 1 90 90 CYS C C 90 173.812 173.812 174.177 -0.365 19459 3170 1 5 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.170 -5.086 19459 3171 1 5 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.303 13.101 19459 3172 1 5 . 1 1 90 90 CYS H H 90 8.806 8.806 8.829 -0.023 19459 3173 1 5 . 1 1 91 91 THR N N 91 120.813 120.813 112.708 8.105 19459 3174 1 5 . 1 1 91 91 THR HA H 91 3.994 3.994 4.437 -0.443 19459 3175 1 5 . 1 1 91 91 THR C C 91 176.445 176.445 174.375 2.070 19459 3176 1 5 . 1 1 91 91 THR CA C 91 63.440 63.440 60.567 2.873 19459 3177 1 5 . 1 1 91 91 THR CB C 91 69.608 69.608 71.515 -1.907 19459 3178 1 5 . 1 1 91 91 THR H H 91 8.737 8.737 6.879 1.858 19459 3179 1 5 . 1 1 92 92 LYS N N 92 124.963 124.963 120.837 4.126 19459 3180 1 5 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.246 -0.142 19459 3181 1 5 . 1 1 92 92 LYS C C 92 172.310 172.310 177.623 -5.313 19459 3182 1 5 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.137 0.750 19459 3183 1 5 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.345 -0.206 19459 3184 1 5 . 1 1 92 92 LYS H H 92 8.325 8.325 8.394 -0.069 19459 3185 1 5 . 1 1 93 93 GLY N N 93 113.608 113.608 106.130 7.478 19459 3186 1 5 . 1 1 93 93 GLY C C 93 175.127 175.127 173.673 1.454 19459 3187 1 5 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.535 0.176 19459 3188 1 5 . 1 1 93 93 GLY H H 93 8.827 8.827 8.205 0.622 19459 3189 1 5 . 1 1 94 94 TYR N N 94 119.900 119.900 119.033 0.867 19459 3190 1 5 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.768 -0.126 19459 3191 1 5 . 1 1 94 94 TYR C C 94 174.548 174.548 173.785 0.763 19459 3192 1 5 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.431 1.727 19459 3193 1 5 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.073 0.121 19459 3194 1 5 . 1 1 94 94 TYR H H 94 8.281 8.281 7.508 0.773 19459 3195 1 5 . 1 1 95 95 ARG N N 95 122.431 122.431 118.695 3.736 19459 3196 1 5 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.189 0.339 19459 3197 1 5 . 1 1 95 95 ARG C C 95 175.179 175.179 173.769 1.410 19459 3198 1 5 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.122 0.431 19459 3199 1 5 . 1 1 95 95 ARG CB C 95 32.201 32.201 33.121 -0.920 19459 3200 1 5 . 1 1 95 95 ARG H H 95 9.608 9.608 8.270 1.338 19459 3201 1 5 . 1 1 96 96 LEU N N 96 125.652 125.652 123.454 2.198 19459 3202 1 5 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.541 0.121 19459 3203 1 5 . 1 1 96 96 LEU C C 96 172.420 172.420 176.870 -4.450 19459 3204 1 5 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.165 2.338 19459 3205 1 5 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.606 -0.800 19459 3206 1 5 . 1 1 96 96 LEU H H 96 8.231 8.231 8.289 -0.058 19459 3207 1 5 . 1 1 97 97 ILE N N 97 131.597 131.597 125.404 6.193 19459 3208 1 5 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.885 0.355 19459 3209 1 5 . 1 1 97 97 ILE C C 97 174.158 174.158 176.751 -2.593 19459 3210 1 5 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.821 -0.652 19459 3211 1 5 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.858 -0.055 19459 3212 1 5 . 1 1 97 97 ILE H H 97 9.661 9.661 8.560 1.101 19459 3213 1 5 . 1 1 98 98 GLY N N 98 116.731 116.731 107.419 9.312 19459 3214 1 5 . 1 1 98 98 GLY C C 98 176.923 176.923 173.923 3.000 19459 3215 1 5 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.054 -0.990 19459 3216 1 5 . 1 1 98 98 GLY H H 98 8.465 8.465 7.703 0.762 19459 3217 1 5 . 1 1 99 99 SER N N 99 116.632 116.632 116.876 -0.244 19459 3218 1 5 . 1 1 99 99 SER HA H 99 4.509 4.509 4.415 0.094 19459 3219 1 5 . 1 1 99 99 SER C C 99 175.013 175.013 174.138 0.875 19459 3220 1 5 . 1 1 99 99 SER CA C 99 58.328 58.328 59.172 -0.844 19459 3221 1 5 . 1 1 99 99 SER CB C 99 63.996 63.996 62.805 1.191 19459 3222 1 5 . 1 1 99 99 SER H H 99 8.759 8.759 8.365 0.394 19459 3223 1 5 . 1 1 100 100 SER N N 100 116.696 116.696 120.613 -3.917 19459 3224 1 5 . 1 1 100 100 SER HA H 100 4.447 4.447 4.435 0.012 19459 3225 1 5 . 1 1 100 100 SER C C 100 175.403 175.403 174.273 1.130 19459 3226 1 5 . 1 1 100 100 SER CA C 100 59.209 59.209 60.565 -1.356 19459 3227 1 5 . 1 1 100 100 SER CB C 100 64.035 64.035 63.669 0.366 19459 3228 1 5 . 1 1 100 100 SER H H 100 8.617 8.617 8.008 0.609 19459 3229 1 5 . 1 1 101 101 SER N N 101 115.247 115.247 114.756 0.491 19459 3230 1 5 . 1 1 101 101 SER HA H 101 5.346 5.346 5.320 0.026 19459 3231 1 5 . 1 1 101 101 SER C C 101 176.888 176.888 173.498 3.390 19459 3232 1 5 . 1 1 101 101 SER CA C 101 57.021 57.021 56.449 0.572 19459 3233 1 5 . 1 1 101 101 SER CB C 101 66.391 66.391 64.633 1.758 19459 3234 1 5 . 1 1 101 101 SER H H 101 7.952 7.952 7.702 0.250 19459 3235 1 5 . 1 1 102 102 ALA N N 102 121.438 121.438 130.588 -9.150 19459 3236 1 5 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.984 0.103 19459 3237 1 5 . 1 1 102 102 ALA C C 102 173.807 173.807 176.903 -3.096 19459 3238 1 5 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.178 0.645 19459 3239 1 5 . 1 1 102 102 ALA CB C 102 24.071 24.071 20.666 3.405 19459 3240 1 5 . 1 1 102 102 ALA H H 102 8.286 8.286 8.478 -0.192 19459 3241 1 5 . 1 1 103 103 THR N N 103 118.007 118.007 118.670 -0.663 19459 3242 1 5 . 1 1 103 103 THR HA H 103 5.560 5.560 5.229 0.331 19459 3243 1 5 . 1 1 103 103 THR C C 103 176.159 176.159 173.775 2.384 19459 3244 1 5 . 1 1 103 103 THR CA C 103 61.342 61.342 61.527 -0.185 19459 3245 1 5 . 1 1 103 103 THR CB C 103 71.171 71.171 70.818 0.353 19459 3246 1 5 . 1 1 103 103 THR H H 103 9.636 9.636 9.933 -0.297 19459 3247 1 5 . 1 1 104 104 CYS N N 104 127.602 127.602 128.858 -1.256 19459 3248 1 5 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.244 -0.878 19459 3249 1 5 . 1 1 104 104 CYS C C 104 174.892 174.892 173.976 0.916 19459 3250 1 5 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.549 -2.070 19459 3251 1 5 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.431 12.754 19459 3252 1 5 . 1 1 104 104 CYS H H 104 8.338 8.338 8.855 -0.517 19459 3253 1 5 . 1 1 105 105 ILE N N 105 126.775 126.775 124.604 2.171 19459 3254 1 5 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.088 -0.179 19459 3255 1 5 . 1 1 105 105 ILE C C 105 174.390 174.390 173.891 0.499 19459 3256 1 5 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.707 1.514 19459 3257 1 5 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.483 1.040 19459 3258 1 5 . 1 1 105 105 ILE H H 105 9.375 9.375 9.207 0.168 19459 3259 1 5 . 1 1 106 106 ILE N N 106 118.256 118.256 121.911 -3.655 19459 3260 1 5 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.304 -0.234 19459 3261 1 5 . 1 1 106 106 ILE C C 106 172.560 172.560 177.109 -4.549 19459 3262 1 5 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.520 1.369 19459 3263 1 5 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.507 3.178 19459 3264 1 5 . 1 1 106 106 ILE H H 106 8.041 8.041 8.440 -0.399 19459 3265 1 5 . 1 1 107 107 SER N N 107 120.167 120.167 123.232 -3.065 19459 3266 1 5 . 1 1 107 107 SER HA H 107 4.376 4.376 4.303 0.073 19459 3267 1 5 . 1 1 107 107 SER C C 107 174.594 174.594 175.476 -0.882 19459 3268 1 5 . 1 1 107 107 SER CA C 107 57.111 57.111 60.009 -2.898 19459 3269 1 5 . 1 1 107 107 SER CB C 107 63.835 63.835 63.965 -0.131 19459 3270 1 5 . 1 1 107 107 SER H H 107 8.013 8.013 9.209 -1.196 19459 3271 1 5 . 1 1 108 108 GLY N N 108 119.089 119.089 108.066 11.023 19459 3272 1 5 . 1 1 108 108 GLY C C 108 174.665 174.665 173.970 0.695 19459 3273 1 5 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.243 2.245 19459 3274 1 5 . 1 1 108 108 GLY H H 108 9.116 9.116 7.966 1.150 19459 3275 1 5 . 1 1 109 109 ASP N N 109 127.143 127.143 120.035 7.108 19459 3276 1 5 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.847 -0.086 19459 3277 1 5 . 1 1 109 109 ASP C C 109 173.724 173.724 176.309 -2.585 19459 3278 1 5 . 1 1 109 109 ASP CA C 109 53.723 53.723 54.062 -0.339 19459 3279 1 5 . 1 1 109 109 ASP CB C 109 41.232 41.232 43.782 -2.550 19459 3280 1 5 . 1 1 109 109 ASP H H 109 8.845 8.845 7.948 0.897 19459 3281 1 5 . 1 1 110 110 THR N N 110 115.044 115.044 113.894 1.150 19459 3282 1 5 . 1 1 110 110 THR HA H 110 4.663 4.663 4.529 0.134 19459 3283 1 5 . 1 1 110 110 THR C C 110 175.636 175.636 172.600 3.036 19459 3284 1 5 . 1 1 110 110 THR CA C 110 58.612 58.612 60.885 -2.273 19459 3285 1 5 . 1 1 110 110 THR CB C 110 71.146 71.146 71.533 -0.387 19459 3286 1 5 . 1 1 110 110 THR H H 110 8.134 8.134 7.995 0.139 19459 3287 1 5 . 1 1 111 111 VAL N N 111 115.728 115.728 120.414 -4.686 19459 3288 1 5 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.770 0.545 19459 3289 1 5 . 1 1 111 111 VAL C C 111 174.752 174.752 175.064 -0.312 19459 3290 1 5 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.027 -1.386 19459 3291 1 5 . 1 1 111 111 VAL CB C 111 33.824 33.824 31.843 1.981 19459 3292 1 5 . 1 1 111 111 VAL H H 111 8.310 8.310 8.278 0.032 19459 3293 1 5 . 1 1 112 112 ILE N N 112 117.116 117.116 119.962 -2.846 19459 3294 1 5 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.665 -0.159 19459 3295 1 5 . 1 1 112 112 ILE C C 112 174.637 174.637 174.317 0.320 19459 3296 1 5 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.155 0.340 19459 3297 1 5 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.708 1.483 19459 3298 1 5 . 1 1 112 112 ILE H H 112 8.945 8.945 8.388 0.557 19459 3299 1 5 . 1 1 113 113 TRP N N 113 121.755 121.755 121.709 0.046 19459 3300 1 5 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.160 -0.053 19459 3301 1 5 . 1 1 113 113 TRP C C 113 170.413 170.413 176.880 -6.467 19459 3302 1 5 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.327 0.050 19459 3303 1 5 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.314 -1.018 19459 3304 1 5 . 1 1 113 113 TRP H H 113 7.567 7.567 8.555 -0.988 19459 3305 1 5 . 1 1 114 114 ASP N N 114 123.286 123.286 119.311 3.975 19459 3306 1 5 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.543 -0.336 19459 3307 1 5 . 1 1 114 114 ASP C C 114 174.083 174.083 176.230 -2.147 19459 3308 1 5 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.508 0.893 19459 3309 1 5 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.105 -0.956 19459 3310 1 5 . 1 1 114 114 ASP H H 114 9.451 9.451 8.489 0.962 19459 3311 1 5 . 1 1 115 115 GLN N N 115 116.139 116.139 119.336 -3.197 19459 3312 1 5 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.076 0.669 19459 3313 1 5 . 1 1 115 115 GLN C C 115 173.639 173.639 176.294 -2.655 19459 3314 1 5 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.735 -3.552 19459 3315 1 5 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.047 3.276 19459 3316 1 5 . 1 1 115 115 GLN H H 115 7.305 7.305 7.970 -0.665 19459 3317 1 5 . 1 1 116 116 GLU N N 116 120.881 120.881 124.551 -3.670 19459 3318 1 5 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.204 0.126 19459 3319 1 5 . 1 1 116 116 GLU C C 116 173.578 173.578 176.715 -3.137 19459 3320 1 5 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.309 -3.152 19459 3321 1 5 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.009 0.206 19459 3322 1 5 . 1 1 116 116 GLU H H 116 8.615 8.615 8.772 -0.157 19459 3323 1 5 . 1 1 117 117 THR N N 117 119.889 119.889 109.671 10.218 19459 3324 1 5 . 1 1 117 117 THR HA H 117 3.609 3.609 4.299 -0.690 19459 3325 1 5 . 1 1 117 117 THR C C 117 176.699 176.699 171.658 5.041 19459 3326 1 5 . 1 1 117 117 THR CA C 117 61.757 61.757 60.511 1.246 19459 3327 1 5 . 1 1 117 117 THR CB C 117 69.799 69.799 69.223 0.576 19459 3328 1 5 . 1 1 117 117 THR H H 117 8.075 8.075 7.445 0.630 19459 3329 1 5 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.302 0.230 19459 3330 1 5 . 1 1 118 118 PRO C C 118 175.300 175.300 175.990 -0.690 19459 3331 1 5 . 1 1 118 118 PRO CA C 118 62.360 62.360 63.071 -0.710 19459 3332 1 5 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.088 0.800 19459 3333 1 5 . 1 1 119 119 ILE N N 119 114.729 114.729 121.428 -6.699 19459 3334 1 5 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.354 -0.067 19459 3335 1 5 . 1 1 119 119 ILE C C 119 174.748 174.748 174.177 0.571 19459 3336 1 5 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.355 -1.113 19459 3337 1 5 . 1 1 119 119 ILE CB C 119 41.184 41.184 42.712 -1.528 19459 3338 1 5 . 1 1 119 119 ILE H H 119 7.874 7.874 7.766 0.108 19459 3339 1 5 . 1 1 120 120 CYS N N 120 123.444 123.444 122.834 0.610 19459 3340 1 5 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.942 0.608 19459 3341 1 5 . 1 1 120 120 CYS C C 120 175.583 175.583 175.225 0.358 19459 3342 1 5 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.607 -4.913 19459 3343 1 5 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.349 13.101 19459 3344 1 5 . 1 1 120 120 CYS H H 120 8.583 8.583 8.440 0.143 19459 3345 1 5 . 1 1 121 121 ASP N N 121 124.459 124.459 125.015 -0.556 19459 3346 1 5 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.520 0.787 19459 3347 1 5 . 1 1 121 121 ASP C C 121 174.495 174.495 176.340 -1.845 19459 3348 1 5 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.594 -3.377 19459 3349 1 5 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.733 2.670 19459 3350 1 5 . 1 1 121 121 ASP H H 121 9.309 9.309 9.193 0.116 19459 3351 1 6 . 1 1 2 2 CYS N N 2 117.967 117.967 117.033 0.934 19459 3352 1 6 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.799 -0.272 19459 3353 1 6 . 1 1 2 2 CYS C C 2 174.023 174.023 175.273 -1.250 19459 3354 1 6 . 1 1 2 2 CYS CA C 2 58.972 58.972 57.883 1.089 19459 3355 1 6 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.402 17.657 19459 3356 1 6 . 1 1 2 2 CYS H H 2 9.327 9.327 7.784 1.543 19459 3357 1 6 . 1 1 3 3 ASN N N 3 119.722 119.722 116.349 3.373 19459 3358 1 6 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.373 0.876 19459 3359 1 6 . 1 1 3 3 ASN C C 3 175.027 175.027 174.572 0.455 19459 3360 1 6 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.775 -1.262 19459 3361 1 6 . 1 1 3 3 ASN CB C 3 39.643 39.643 36.648 2.995 19459 3362 1 6 . 1 1 3 3 ASN H H 3 8.686 8.686 8.576 0.110 19459 3363 1 6 . 1 1 4 4 ALA N N 4 122.403 122.403 119.125 3.278 19459 3364 1 6 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.662 -0.233 19459 3365 1 6 . 1 1 4 4 ALA C C 4 173.517 173.517 175.934 -2.417 19459 3366 1 6 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.496 -0.683 19459 3367 1 6 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.488 -1.500 19459 3368 1 6 . 1 1 4 4 ALA H H 4 8.401 8.401 8.023 0.378 19459 3369 1 6 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.641 -0.733 19459 3370 1 6 . 1 1 5 5 PRO C C 5 172.806 172.806 177.233 -4.427 19459 3371 1 6 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.439 -1.988 19459 3372 1 6 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.287 -0.735 19459 3373 1 6 . 1 1 6 6 GLU N N 6 121.296 121.296 114.094 7.202 19459 3374 1 6 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.436 -0.245 19459 3375 1 6 . 1 1 6 6 GLU C C 6 172.835 172.835 174.022 -1.187 19459 3376 1 6 . 1 1 6 6 GLU CA C 6 56.175 56.175 56.326 -0.151 19459 3377 1 6 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.873 0.091 19459 3378 1 6 . 1 1 6 6 GLU H H 6 8.443 8.443 7.995 0.448 19459 3379 1 6 . 1 1 7 7 TRP N N 7 124.746 124.746 124.558 0.188 19459 3380 1 6 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.835 -0.903 19459 3381 1 6 . 1 1 7 7 TRP C C 7 174.236 174.236 174.660 -0.424 19459 3382 1 6 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.892 3.020 19459 3383 1 6 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.008 -0.975 19459 3384 1 6 . 1 1 7 7 TRP H H 7 8.674 8.674 8.526 0.148 19459 3385 1 6 . 1 1 8 8 LEU N N 8 125.782 125.782 131.108 -5.326 19459 3386 1 6 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.348 0.208 19459 3387 1 6 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.763 0.202 19459 3388 1 6 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.364 -0.471 19459 3389 1 6 . 1 1 8 8 LEU H H 8 7.922 7.922 7.975 -0.053 19459 3390 1 6 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.232 0.366 19459 3391 1 6 . 1 1 9 9 PRO C C 9 172.961 172.961 177.571 -4.610 19459 3392 1 6 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.182 -0.642 19459 3393 1 6 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.242 0.195 19459 3394 1 6 . 1 1 10 10 PHE N N 10 106.863 106.863 116.185 -9.322 19459 3395 1 6 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.046 -0.437 19459 3396 1 6 . 1 1 10 10 PHE C C 10 175.535 175.535 175.555 -0.020 19459 3397 1 6 . 1 1 10 10 PHE CA C 10 53.857 53.857 59.081 -5.224 19459 3398 1 6 . 1 1 10 10 PHE CB C 10 40.775 40.775 38.102 2.674 19459 3399 1 6 . 1 1 10 10 PHE H H 10 5.588 5.588 7.179 -1.591 19459 3400 1 6 . 1 1 11 11 ALA N N 11 121.214 121.214 119.232 1.982 19459 3401 1 6 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.212 -0.069 19459 3402 1 6 . 1 1 11 11 ALA C C 11 175.918 175.918 176.031 -0.113 19459 3403 1 6 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.529 1.339 19459 3404 1 6 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.668 3.062 19459 3405 1 6 . 1 1 11 11 ALA H H 11 6.349 6.349 7.129 -0.780 19459 3406 1 6 . 1 1 12 12 ARG N N 12 117.160 117.160 121.803 -4.643 19459 3407 1 6 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.777 -0.080 19459 3408 1 6 . 1 1 12 12 ARG C C 12 178.499 178.499 173.635 4.864 19459 3409 1 6 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.294 0.571 19459 3410 1 6 . 1 1 12 12 ARG H H 12 9.219 9.219 8.130 1.089 19459 3411 1 6 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.491 -0.822 19459 3412 1 6 . 1 1 13 13 PRO C C 13 171.555 171.555 177.201 -5.646 19459 3413 1 6 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.257 -0.876 19459 3414 1 6 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.082 -0.534 19459 3415 1 6 . 1 1 14 14 THR N N 14 112.823 112.823 112.415 0.408 19459 3416 1 6 . 1 1 14 14 THR HA H 14 3.905 3.905 4.268 -0.363 19459 3417 1 6 . 1 1 14 14 THR C C 14 174.364 174.364 175.445 -1.081 19459 3418 1 6 . 1 1 14 14 THR CA C 14 63.180 63.180 63.205 -0.025 19459 3419 1 6 . 1 1 14 14 THR CB C 14 68.154 68.154 69.254 -1.100 19459 3420 1 6 . 1 1 14 14 THR H H 14 8.062 8.062 8.175 -0.113 19459 3421 1 6 . 1 1 15 15 GLN N N 15 119.736 119.736 118.558 1.178 19459 3422 1 6 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.414 0.087 19459 3423 1 6 . 1 1 15 15 GLN C C 15 174.815 174.815 176.906 -2.091 19459 3424 1 6 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.669 -3.302 19459 3425 1 6 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.754 1.362 19459 3426 1 6 . 1 1 15 15 GLN H H 15 7.758 7.758 7.963 -0.205 19459 3427 1 6 . 1 1 16 16 LEU N N 16 124.583 124.583 117.994 6.589 19459 3428 1 6 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.461 -0.100 19459 3429 1 6 . 1 1 16 16 LEU C C 16 172.167 172.167 177.059 -4.892 19459 3430 1 6 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.399 -1.102 19459 3431 1 6 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.554 0.480 19459 3432 1 6 . 1 1 16 16 LEU H H 16 8.458 8.458 8.130 0.328 19459 3433 1 6 . 1 1 17 17 THR N N 17 116.730 116.730 111.260 5.470 19459 3434 1 6 . 1 1 17 17 THR HA H 17 4.633 4.633 3.803 0.830 19459 3435 1 6 . 1 1 17 17 THR C C 17 175.703 175.703 175.707 -0.004 19459 3436 1 6 . 1 1 17 17 THR CA C 17 60.358 60.358 64.705 -4.347 19459 3437 1 6 . 1 1 17 17 THR CB C 17 70.110 70.110 68.684 1.426 19459 3438 1 6 . 1 1 17 17 THR H H 17 8.325 8.325 7.854 0.471 19459 3439 1 6 . 1 1 18 18 ASP N N 18 122.839 122.839 119.580 3.259 19459 3440 1 6 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.682 0.060 19459 3441 1 6 . 1 1 18 18 ASP C C 18 173.642 173.642 175.196 -1.554 19459 3442 1 6 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.903 -1.690 19459 3443 1 6 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.066 -2.144 19459 3444 1 6 . 1 1 18 18 ASP H H 18 8.487 8.487 7.564 0.923 19459 3445 1 6 . 1 1 19 19 GLU N N 19 120.523 120.523 116.525 3.998 19459 3446 1 6 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.396 -0.324 19459 3447 1 6 . 1 1 19 19 GLU C C 19 174.249 174.249 175.505 -1.256 19459 3448 1 6 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.126 1.024 19459 3449 1 6 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.467 -0.124 19459 3450 1 6 . 1 1 19 19 GLU H H 19 7.931 7.931 7.007 0.924 19459 3451 1 6 . 1 1 20 20 PHE N N 20 118.500 118.500 122.050 -3.550 19459 3452 1 6 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.357 0.389 19459 3453 1 6 . 1 1 20 20 PHE C C 20 174.885 174.885 176.044 -1.159 19459 3454 1 6 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.852 -4.338 19459 3455 1 6 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.109 1.373 19459 3456 1 6 . 1 1 20 20 PHE H H 20 8.279 8.279 8.464 -0.185 19459 3457 1 6 . 1 1 21 21 GLU N N 21 117.080 117.080 118.954 -1.874 19459 3458 1 6 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.453 0.557 19459 3459 1 6 . 1 1 21 21 GLU C C 21 174.900 174.900 175.422 -0.522 19459 3460 1 6 . 1 1 21 21 GLU CA C 21 54.273 54.273 56.625 -2.352 19459 3461 1 6 . 1 1 21 21 GLU CB C 21 31.373 31.373 29.842 1.531 19459 3462 1 6 . 1 1 21 21 GLU H H 21 7.022 7.022 8.090 -1.068 19459 3463 1 6 . 1 1 22 22 PHE N N 22 119.655 119.655 123.099 -3.444 19459 3464 1 6 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.939 0.030 19459 3465 1 6 . 1 1 22 22 PHE C C 22 176.708 176.708 173.492 3.216 19459 3466 1 6 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.089 -0.313 19459 3467 1 6 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.842 -1.096 19459 3468 1 6 . 1 1 22 22 PHE H H 22 8.974 8.974 8.322 0.652 19459 3469 1 6 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.636 -0.048 19459 3470 1 6 . 1 1 23 23 PRO C C 23 171.163 171.163 176.029 -4.866 19459 3471 1 6 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.334 0.083 19459 3472 1 6 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.517 0.137 19459 3473 1 6 . 1 1 24 24 ILE N N 24 123.238 123.238 119.646 3.592 19459 3474 1 6 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.737 -0.327 19459 3475 1 6 . 1 1 24 24 ILE C C 24 172.283 172.283 177.366 -5.083 19459 3476 1 6 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.977 1.069 19459 3477 1 6 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.829 -0.380 19459 3478 1 6 . 1 1 24 24 ILE H H 24 8.199 8.199 8.323 -0.124 19459 3479 1 6 . 1 1 25 25 GLY N N 25 115.962 115.962 114.413 1.549 19459 3480 1 6 . 1 1 25 25 GLY C C 25 174.927 174.927 174.152 0.775 19459 3481 1 6 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.897 -0.474 19459 3482 1 6 . 1 1 25 25 GLY H H 25 9.061 9.061 8.669 0.392 19459 3483 1 6 . 1 1 26 26 THR N N 26 117.152 117.152 117.319 -0.167 19459 3484 1 6 . 1 1 26 26 THR HA H 26 4.081 4.081 4.807 -0.726 19459 3485 1 6 . 1 1 26 26 THR C C 26 176.723 176.723 173.165 3.558 19459 3486 1 6 . 1 1 26 26 THR CA C 26 65.711 65.711 61.721 3.990 19459 3487 1 6 . 1 1 26 26 THR CB C 26 70.084 70.084 71.045 -0.961 19459 3488 1 6 . 1 1 26 26 THR H H 26 7.704 7.704 7.400 0.304 19459 3489 1 6 . 1 1 27 27 TYR N N 27 125.094 125.094 125.676 -0.582 19459 3490 1 6 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.977 0.815 19459 3491 1 6 . 1 1 27 27 TYR C C 27 173.835 173.835 175.700 -1.865 19459 3492 1 6 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.816 -1.952 19459 3493 1 6 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.864 1.012 19459 3494 1 6 . 1 1 27 27 TYR H H 27 8.542 8.542 8.799 -0.257 19459 3495 1 6 . 1 1 28 28 LEU N N 28 120.714 120.714 123.112 -2.398 19459 3496 1 6 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.657 0.127 19459 3497 1 6 . 1 1 28 28 LEU C C 28 172.808 172.808 176.746 -3.938 19459 3498 1 6 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.184 -0.002 19459 3499 1 6 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.256 1.682 19459 3500 1 6 . 1 1 28 28 LEU H H 28 9.000 9.000 8.115 0.885 19459 3501 1 6 . 1 1 29 29 ASN N N 29 121.617 121.617 121.628 -0.011 19459 3502 1 6 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.707 0.193 19459 3503 1 6 . 1 1 29 29 ASN C C 29 174.783 174.783 173.858 0.925 19459 3504 1 6 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.659 1.573 19459 3505 1 6 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.153 1.038 19459 3506 1 6 . 1 1 29 29 ASN H H 29 8.544 8.544 8.886 -0.342 19459 3507 1 6 . 1 1 30 30 TYR N N 30 126.738 126.738 123.303 3.435 19459 3508 1 6 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.581 0.105 19459 3509 1 6 . 1 1 30 30 TYR C C 30 174.911 174.911 174.860 0.051 19459 3510 1 6 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.083 -0.182 19459 3511 1 6 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.784 4.058 19459 3512 1 6 . 1 1 30 30 TYR H H 30 9.324 9.324 7.832 1.492 19459 3513 1 6 . 1 1 31 31 GLU N N 31 114.116 114.116 123.445 -9.329 19459 3514 1 6 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.582 0.128 19459 3515 1 6 . 1 1 31 31 GLU C C 31 173.694 173.694 175.028 -1.334 19459 3516 1 6 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.263 -1.144 19459 3517 1 6 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.005 -0.380 19459 3518 1 6 . 1 1 31 31 GLU H H 31 8.553 8.553 8.398 0.155 19459 3519 1 6 . 1 1 32 32 CYS N N 32 121.086 121.086 122.797 -1.711 19459 3520 1 6 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.401 0.650 19459 3521 1 6 . 1 1 32 32 CYS C C 32 173.553 173.553 175.285 -1.732 19459 3522 1 6 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.706 -4.226 19459 3523 1 6 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.821 9.666 19459 3524 1 6 . 1 1 32 32 CYS H H 32 9.784 9.784 8.737 1.047 19459 3525 1 6 . 1 1 33 33 ARG N N 33 123.418 123.418 123.200 0.218 19459 3526 1 6 . 1 1 33 33 ARG C C 33 176.822 176.822 174.267 2.555 19459 3527 1 6 . 1 1 33 33 ARG CA C 33 56.311 56.311 53.644 2.667 19459 3528 1 6 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.386 -0.042 19459 3529 1 6 . 1 1 33 33 ARG H H 33 7.898 7.898 7.996 -0.098 19459 3530 1 6 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.305 0.075 19459 3531 1 6 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.349 0.706 19459 3532 1 6 . 1 1 34 34 PRO CB C 34 31.335 31.335 32.207 -0.872 19459 3533 1 6 . 1 1 35 35 GLY N N 35 111.039 111.039 109.325 1.714 19459 3534 1 6 . 1 1 35 35 GLY C C 35 177.546 177.546 173.718 3.828 19459 3535 1 6 . 1 1 35 35 GLY CA C 35 43.899 43.899 45.153 -1.254 19459 3536 1 6 . 1 1 35 35 GLY H H 35 8.378 8.378 8.546 -0.168 19459 3537 1 6 . 1 1 36 36 TYR N N 36 116.682 116.682 118.545 -1.863 19459 3538 1 6 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.713 0.308 19459 3539 1 6 . 1 1 36 36 TYR C C 36 174.005 174.005 175.961 -1.956 19459 3540 1 6 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.515 -0.020 19459 3541 1 6 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.863 1.118 19459 3542 1 6 . 1 1 36 36 TYR H H 36 8.175 8.175 7.455 0.720 19459 3543 1 6 . 1 1 37 37 SER N N 37 115.855 115.855 118.166 -2.311 19459 3544 1 6 . 1 1 37 37 SER HA H 37 4.819 4.819 4.173 0.646 19459 3545 1 6 . 1 1 37 37 SER C C 37 175.442 175.442 175.389 0.053 19459 3546 1 6 . 1 1 37 37 SER CA C 37 56.534 56.534 60.006 -3.472 19459 3547 1 6 . 1 1 37 37 SER CB C 37 65.642 65.642 63.459 2.183 19459 3548 1 6 . 1 1 37 37 SER H H 37 9.711 9.711 8.127 1.584 19459 3549 1 6 . 1 1 38 38 GLY N N 38 113.435 113.435 109.294 4.141 19459 3550 1 6 . 1 1 38 38 GLY C C 38 175.876 175.876 173.792 2.084 19459 3551 1 6 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.648 0.620 19459 3552 1 6 . 1 1 38 38 GLY H H 38 8.288 8.288 7.880 0.408 19459 3553 1 6 . 1 1 39 39 ARG N N 39 124.199 124.199 122.238 1.961 19459 3554 1 6 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.616 0.123 19459 3555 1 6 . 1 1 39 39 ARG C C 39 175.413 175.413 174.862 0.551 19459 3556 1 6 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.921 1.819 19459 3557 1 6 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.230 -0.596 19459 3558 1 6 . 1 1 39 39 ARG H H 39 8.350 8.350 8.394 -0.044 19459 3559 1 6 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.243 0.415 19459 3560 1 6 . 1 1 40 40 PRO C C 40 173.702 173.702 175.801 -2.099 19459 3561 1 6 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.358 1.112 19459 3562 1 6 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.952 0.236 19459 3563 1 6 . 1 1 41 41 PHE N N 41 118.388 118.388 117.278 1.110 19459 3564 1 6 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.780 0.383 19459 3565 1 6 . 1 1 41 41 PHE C C 41 176.886 176.886 174.141 2.745 19459 3566 1 6 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.517 0.049 19459 3567 1 6 . 1 1 41 41 PHE CB C 41 41.264 41.264 40.181 1.083 19459 3568 1 6 . 1 1 41 41 PHE H H 41 8.017 8.017 7.350 0.667 19459 3569 1 6 . 1 1 42 42 SER N N 42 114.056 114.056 117.889 -3.833 19459 3570 1 6 . 1 1 42 42 SER HA H 42 5.771 5.771 4.975 0.796 19459 3571 1 6 . 1 1 42 42 SER C C 42 174.978 174.978 174.450 0.528 19459 3572 1 6 . 1 1 42 42 SER CA C 42 56.668 56.668 58.621 -1.953 19459 3573 1 6 . 1 1 42 42 SER CB C 42 66.152 66.152 64.106 2.046 19459 3574 1 6 . 1 1 42 42 SER H H 42 8.540 8.540 8.604 -0.064 19459 3575 1 6 . 1 1 43 43 ILE N N 43 115.669 115.669 119.482 -3.813 19459 3576 1 6 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.496 0.569 19459 3577 1 6 . 1 1 43 43 ILE C C 43 174.535 174.535 174.395 0.140 19459 3578 1 6 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.450 -0.406 19459 3579 1 6 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.317 1.038 19459 3580 1 6 . 1 1 43 43 ILE H H 43 8.637 8.637 7.710 0.927 19459 3581 1 6 . 1 1 44 44 ILE N N 44 120.215 120.215 123.627 -3.412 19459 3582 1 6 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.097 0.189 19459 3583 1 6 . 1 1 44 44 ILE C C 44 174.033 174.033 177.545 -3.512 19459 3584 1 6 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.123 0.533 19459 3585 1 6 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.619 1.711 19459 3586 1 6 . 1 1 44 44 ILE H H 44 8.687 8.687 8.238 0.449 19459 3587 1 6 . 1 1 45 45 CYS N N 45 126.257 126.257 127.422 -1.165 19459 3588 1 6 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.282 -0.530 19459 3589 1 6 . 1 1 45 45 CYS C C 45 174.946 174.946 176.484 -1.538 19459 3590 1 6 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.961 -4.895 19459 3591 1 6 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.860 14.751 19459 3592 1 6 . 1 1 45 45 CYS H H 45 7.993 7.993 9.094 -1.101 19459 3593 1 6 . 1 1 46 46 LEU N N 46 132.514 132.514 121.329 11.185 19459 3594 1 6 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.981 0.435 19459 3595 1 6 . 1 1 46 46 LEU C C 46 172.195 172.195 177.282 -5.087 19459 3596 1 6 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.280 -2.936 19459 3597 1 6 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.933 2.271 19459 3598 1 6 . 1 1 46 46 LEU H H 46 8.826 8.826 8.376 0.450 19459 3599 1 6 . 1 1 47 47 LYS N N 47 115.254 115.254 118.557 -3.303 19459 3600 1 6 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.301 -0.313 19459 3601 1 6 . 1 1 47 47 LYS C C 47 173.781 173.781 176.139 -2.358 19459 3602 1 6 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.212 2.771 19459 3603 1 6 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.488 -1.280 19459 3604 1 6 . 1 1 47 47 LYS H H 47 7.949 7.949 7.959 -0.010 19459 3605 1 6 . 1 1 48 48 ASN N N 48 115.283 115.283 124.780 -9.497 19459 3606 1 6 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.436 0.100 19459 3607 1 6 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.131 -0.591 19459 3608 1 6 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.190 -0.818 19459 3609 1 6 . 1 1 48 48 ASN H H 48 8.432 8.432 9.242 -0.810 19459 3610 1 6 . 1 1 49 49 SER N N 49 110.595 110.595 106.249 4.346 19459 3611 1 6 . 1 1 49 49 SER HA H 49 3.969 3.969 4.123 -0.154 19459 3612 1 6 . 1 1 49 49 SER CA C 49 59.790 59.790 60.123 -0.333 19459 3613 1 6 . 1 1 49 49 SER CB C 49 60.870 60.870 62.264 -1.394 19459 3614 1 6 . 1 1 49 49 SER H H 49 8.457 8.457 8.417 0.040 19459 3615 1 6 . 1 1 50 50 VAL N N 50 117.680 117.680 118.458 -0.778 19459 3616 1 6 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.890 0.443 19459 3617 1 6 . 1 1 50 50 VAL C C 50 175.347 175.347 175.676 -0.329 19459 3618 1 6 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.845 -3.961 19459 3619 1 6 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.703 2.134 19459 3620 1 6 . 1 1 50 50 VAL H H 50 6.840 6.840 7.864 -1.024 19459 3621 1 6 . 1 1 51 51 TRP N N 51 123.510 123.510 115.780 7.730 19459 3622 1 6 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.031 0.291 19459 3623 1 6 . 1 1 51 51 TRP C C 51 170.736 170.736 176.271 -5.535 19459 3624 1 6 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.612 -0.675 19459 3625 1 6 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.352 -1.562 19459 3626 1 6 . 1 1 51 51 TRP H H 51 8.310 8.310 7.569 0.741 19459 3627 1 6 . 1 1 52 52 THR N N 52 115.962 115.962 115.650 0.312 19459 3628 1 6 . 1 1 52 52 THR HA H 52 4.656 4.656 4.220 0.436 19459 3629 1 6 . 1 1 52 52 THR C C 52 175.780 175.780 175.307 0.473 19459 3630 1 6 . 1 1 52 52 THR CA C 52 61.376 61.376 64.609 -3.233 19459 3631 1 6 . 1 1 52 52 THR CB C 52 70.723 70.723 69.251 1.472 19459 3632 1 6 . 1 1 52 52 THR H H 52 9.026 9.026 8.304 0.722 19459 3633 1 6 . 1 1 53 53 GLY N N 53 108.521 108.521 107.396 1.125 19459 3634 1 6 . 1 1 53 53 GLY C C 53 174.881 174.881 173.146 1.735 19459 3635 1 6 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.897 0.447 19459 3636 1 6 . 1 1 53 53 GLY H H 53 8.292 8.292 7.564 0.728 19459 3637 1 6 . 1 1 54 54 ALA N N 54 121.857 121.857 123.092 -1.235 19459 3638 1 6 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.074 0.079 19459 3639 1 6 . 1 1 54 54 ALA C C 54 172.786 172.786 176.901 -4.115 19459 3640 1 6 . 1 1 54 54 ALA CA C 54 51.697 51.697 51.960 -0.263 19459 3641 1 6 . 1 1 54 54 ALA CB C 54 19.714 19.714 19.124 0.590 19459 3642 1 6 . 1 1 54 54 ALA H H 54 8.443 8.443 8.176 0.267 19459 3643 1 6 . 1 1 55 55 LYS N N 55 118.318 118.318 119.847 -1.529 19459 3644 1 6 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.233 -0.489 19459 3645 1 6 . 1 1 55 55 LYS C C 55 172.519 172.519 176.185 -3.666 19459 3646 1 6 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.515 1.429 19459 3647 1 6 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.469 0.163 19459 3648 1 6 . 1 1 55 55 LYS H H 55 7.612 7.612 7.569 0.043 19459 3649 1 6 . 1 1 56 56 ASP N N 56 119.214 119.214 121.472 -2.258 19459 3650 1 6 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.527 -0.410 19459 3651 1 6 . 1 1 56 56 ASP C C 56 173.700 173.700 176.710 -3.010 19459 3652 1 6 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.737 -0.353 19459 3653 1 6 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.822 -0.652 19459 3654 1 6 . 1 1 56 56 ASP H H 56 8.555 8.555 8.941 -0.386 19459 3655 1 6 . 1 1 57 57 ARG N N 57 116.006 116.006 118.063 -2.057 19459 3656 1 6 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.005 -0.125 19459 3657 1 6 . 1 1 57 57 ARG C C 57 171.638 171.638 175.349 -3.711 19459 3658 1 6 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.913 -1.986 19459 3659 1 6 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.530 1.627 19459 3660 1 6 . 1 1 57 57 ARG H H 57 7.352 7.352 8.689 -1.337 19459 3661 1 6 . 1 1 58 58 CYS N N 58 115.000 115.000 113.892 1.108 19459 3662 1 6 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.490 1.084 19459 3663 1 6 . 1 1 58 58 CYS C C 58 175.576 175.576 173.232 2.344 19459 3664 1 6 . 1 1 58 58 CYS CA C 58 52.852 52.852 56.844 -3.992 19459 3665 1 6 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.042 14.534 19459 3666 1 6 . 1 1 58 58 CYS H H 58 7.587 7.587 7.300 0.287 19459 3667 1 6 . 1 1 59 59 ARG N N 59 123.440 123.440 121.033 2.407 19459 3668 1 6 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.460 0.300 19459 3669 1 6 . 1 1 59 59 ARG C C 59 173.566 173.566 174.704 -1.138 19459 3670 1 6 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.597 -0.358 19459 3671 1 6 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.751 -0.949 19459 3672 1 6 . 1 1 59 59 ARG H H 59 8.984 8.984 8.613 0.371 19459 3673 1 6 . 1 1 60 60 ARG N N 60 125.644 125.644 123.489 2.155 19459 3674 1 6 . 1 1 60 60 ARG HA H 60 3.651 3.651 3.526 0.125 19459 3675 1 6 . 1 1 60 60 ARG C C 60 172.119 172.119 174.496 -2.377 19459 3676 1 6 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.915 3.383 19459 3677 1 6 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.312 -0.044 19459 3678 1 6 . 1 1 60 60 ARG H H 60 9.163 9.163 8.366 0.797 19459 3679 1 6 . 1 1 61 61 LYS N N 61 124.217 124.217 120.824 3.393 19459 3680 1 6 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.434 -0.317 19459 3681 1 6 . 1 1 61 61 LYS C C 61 173.791 173.791 175.690 -1.899 19459 3682 1 6 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.531 2.667 19459 3683 1 6 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.276 0.938 19459 3684 1 6 . 1 1 61 61 LYS H H 61 8.601 8.601 7.998 0.603 19459 3685 1 6 . 1 1 62 62 SER N N 62 114.120 114.120 116.117 -1.997 19459 3686 1 6 . 1 1 62 62 SER HA H 62 4.765 4.765 4.456 0.309 19459 3687 1 6 . 1 1 62 62 SER C C 62 175.019 175.019 174.750 0.269 19459 3688 1 6 . 1 1 62 62 SER CA C 62 58.227 58.227 58.810 -0.583 19459 3689 1 6 . 1 1 62 62 SER CB C 62 65.387 65.387 63.634 1.753 19459 3690 1 6 . 1 1 62 62 SER H H 62 8.494 8.494 8.365 0.129 19459 3691 1 6 . 1 1 63 63 CYS N N 63 122.858 122.858 124.827 -1.969 19459 3692 1 6 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.603 -0.535 19459 3693 1 6 . 1 1 63 63 CYS C C 63 176.076 176.076 173.822 2.254 19459 3694 1 6 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.043 3.224 19459 3695 1 6 . 1 1 63 63 CYS CB C 63 40.768 40.768 30.177 10.591 19459 3696 1 6 . 1 1 63 63 CYS H H 63 8.359 8.359 8.422 -0.063 19459 3697 1 6 . 1 1 64 64 ARG N N 64 118.145 118.145 120.498 -2.353 19459 3698 1 6 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.755 -0.589 19459 3699 1 6 . 1 1 64 64 ARG C C 64 173.077 173.077 173.986 -0.909 19459 3700 1 6 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.646 1.334 19459 3701 1 6 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.510 -2.051 19459 3702 1 6 . 1 1 64 64 ARG H H 64 8.496 8.496 8.587 -0.091 19459 3703 1 6 . 1 1 65 65 ASN N N 65 122.302 122.302 119.952 2.350 19459 3704 1 6 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.188 -0.454 19459 3705 1 6 . 1 1 65 65 ASN C C 65 175.117 175.117 173.963 1.154 19459 3706 1 6 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.203 0.909 19459 3707 1 6 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.327 -0.960 19459 3708 1 6 . 1 1 65 65 ASN H H 65 8.691 8.691 9.023 -0.332 19459 3709 1 6 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.340 0.143 19459 3710 1 6 . 1 1 67 67 PRO C C 67 172.228 172.228 176.605 -4.377 19459 3711 1 6 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.655 -1.989 19459 3712 1 6 . 1 1 67 67 PRO CB C 67 32.487 32.487 32.044 0.443 19459 3713 1 6 . 1 1 68 68 ASP N N 68 118.184 118.184 117.534 0.650 19459 3714 1 6 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.476 0.166 19459 3715 1 6 . 1 1 68 68 ASP C C 68 173.951 173.951 173.884 0.067 19459 3716 1 6 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.409 -1.230 19459 3717 1 6 . 1 1 68 68 ASP CB C 68 40.499 40.499 41.116 -0.617 19459 3718 1 6 . 1 1 68 68 ASP H H 68 8.201 8.201 8.247 -0.046 19459 3719 1 6 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.569 -0.333 19459 3720 1 6 . 1 1 69 69 PRO C C 69 172.350 172.350 177.340 -4.990 19459 3721 1 6 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.505 -0.594 19459 3722 1 6 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.694 -1.459 19459 3723 1 6 . 1 1 70 70 VAL N N 70 125.745 125.745 120.743 5.002 19459 3724 1 6 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.622 0.037 19459 3725 1 6 . 1 1 70 70 VAL C C 70 171.231 171.231 177.604 -6.373 19459 3726 1 6 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.394 -0.730 19459 3727 1 6 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.732 -0.881 19459 3728 1 6 . 1 1 70 70 VAL H H 70 8.251 8.251 8.559 -0.308 19459 3729 1 6 . 1 1 71 71 ASN N N 71 119.702 119.702 119.212 0.490 19459 3730 1 6 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.560 -0.559 19459 3731 1 6 . 1 1 71 71 ASN C C 71 176.167 176.167 175.663 0.504 19459 3732 1 6 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.183 1.337 19459 3733 1 6 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.887 -2.645 19459 3734 1 6 . 1 1 71 71 ASN H H 71 8.994 8.994 8.010 0.984 19459 3735 1 6 . 1 1 72 72 GLY N N 72 104.254 104.254 105.165 -0.911 19459 3736 1 6 . 1 1 72 72 GLY C C 72 177.732 177.732 173.397 4.335 19459 3737 1 6 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.889 2.209 19459 3738 1 6 . 1 1 72 72 GLY H H 72 7.637 7.637 8.299 -0.662 19459 3739 1 6 . 1 1 73 73 MET N N 73 116.529 116.529 120.370 -3.841 19459 3740 1 6 . 1 1 73 73 MET HA H 73 4.887 4.887 4.545 0.342 19459 3741 1 6 . 1 1 73 73 MET C C 73 175.128 175.128 174.036 1.092 19459 3742 1 6 . 1 1 73 73 MET CA C 73 54.890 54.890 54.710 0.180 19459 3743 1 6 . 1 1 73 73 MET CB C 73 36.837 36.837 34.175 2.663 19459 3744 1 6 . 1 1 73 73 MET H H 73 8.819 8.819 7.987 0.832 19459 3745 1 6 . 1 1 74 74 VAL N N 74 122.511 122.511 122.458 0.053 19459 3746 1 6 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.848 -0.245 19459 3747 1 6 . 1 1 74 74 VAL C C 74 176.573 176.573 174.452 2.121 19459 3748 1 6 . 1 1 74 74 VAL CA C 74 59.009 59.009 58.801 0.208 19459 3749 1 6 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.286 0.216 19459 3750 1 6 . 1 1 74 74 VAL H H 74 8.796 8.796 8.078 0.718 19459 3751 1 6 . 1 1 75 75 HIS N N 75 125.200 125.200 127.461 -2.261 19459 3752 1 6 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.853 -0.139 19459 3753 1 6 . 1 1 75 75 HIS C C 75 175.500 175.500 174.107 1.393 19459 3754 1 6 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.737 -1.052 19459 3755 1 6 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.206 -3.198 19459 3756 1 6 . 1 1 75 75 HIS H H 75 8.977 8.977 8.491 0.486 19459 3757 1 6 . 1 1 76 76 VAL N N 76 127.456 127.456 121.677 5.779 19459 3758 1 6 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.393 -0.221 19459 3759 1 6 . 1 1 76 76 VAL C C 76 173.257 173.257 174.974 -1.717 19459 3760 1 6 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.112 1.086 19459 3761 1 6 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.370 -1.030 19459 3762 1 6 . 1 1 76 76 VAL H H 76 8.926 8.926 8.569 0.357 19459 3763 1 6 . 1 1 77 77 ILE N N 77 126.756 126.756 127.708 -0.952 19459 3764 1 6 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.862 0.289 19459 3765 1 6 . 1 1 77 77 ILE C C 77 172.744 172.744 177.343 -4.599 19459 3766 1 6 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.117 -1.183 19459 3767 1 6 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.261 0.911 19459 3768 1 6 . 1 1 77 77 ILE H H 77 7.978 7.978 8.348 -0.370 19459 3769 1 6 . 1 1 78 78 LYS N N 78 123.427 123.427 119.004 4.423 19459 3770 1 6 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.390 0.187 19459 3771 1 6 . 1 1 78 78 LYS C C 78 172.800 172.800 177.083 -4.283 19459 3772 1 6 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.693 -0.310 19459 3773 1 6 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.680 0.172 19459 3774 1 6 . 1 1 78 78 LYS H H 78 9.415 9.415 8.173 1.242 19459 3775 1 6 . 1 1 79 79 GLY N N 79 108.777 108.777 107.586 1.191 19459 3776 1 6 . 1 1 79 79 GLY C C 79 176.221 176.221 174.082 2.139 19459 3777 1 6 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.237 -0.355 19459 3778 1 6 . 1 1 79 79 GLY H H 79 7.857 7.857 8.321 -0.464 19459 3779 1 6 . 1 1 80 80 ILE N N 80 109.131 109.131 116.388 -7.257 19459 3780 1 6 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.018 0.940 19459 3781 1 6 . 1 1 80 80 ILE C C 80 174.883 174.883 174.952 -0.069 19459 3782 1 6 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.617 -0.960 19459 3783 1 6 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.923 2.788 19459 3784 1 6 . 1 1 80 80 ILE H H 80 8.076 8.076 8.258 -0.182 19459 3785 1 6 . 1 1 81 81 GLN N N 81 116.732 116.732 122.212 -5.480 19459 3786 1 6 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.590 0.076 19459 3787 1 6 . 1 1 81 81 GLN C C 81 172.989 172.989 173.916 -0.927 19459 3788 1 6 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.435 1.066 19459 3789 1 6 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.571 -1.897 19459 3790 1 6 . 1 1 81 81 GLN H H 81 7.682 7.682 7.987 -0.305 19459 3791 1 6 . 1 1 82 82 PHE N N 82 119.773 119.773 122.766 -2.993 19459 3792 1 6 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.150 -0.270 19459 3793 1 6 . 1 1 82 82 PHE C C 82 173.680 173.680 176.492 -2.812 19459 3794 1 6 . 1 1 82 82 PHE CA C 82 58.685 58.685 60.168 -1.483 19459 3795 1 6 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.417 0.702 19459 3796 1 6 . 1 1 82 82 PHE H H 82 8.615 8.615 8.621 -0.006 19459 3797 1 6 . 1 1 83 83 GLY N N 83 119.507 119.507 114.345 5.162 19459 3798 1 6 . 1 1 83 83 GLY C C 83 174.662 174.662 174.104 0.558 19459 3799 1 6 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.687 -0.196 19459 3800 1 6 . 1 1 83 83 GLY H H 83 9.086 9.086 8.018 1.068 19459 3801 1 6 . 1 1 84 84 SER N N 84 118.128 118.128 115.759 2.369 19459 3802 1 6 . 1 1 84 84 SER HA H 84 4.415 4.415 4.476 -0.061 19459 3803 1 6 . 1 1 84 84 SER C C 84 177.247 177.247 173.400 3.847 19459 3804 1 6 . 1 1 84 84 SER CA C 84 60.111 60.111 58.297 1.814 19459 3805 1 6 . 1 1 84 84 SER CB C 84 64.281 64.281 65.550 -1.269 19459 3806 1 6 . 1 1 84 84 SER H H 84 8.573 8.573 7.573 1.000 19459 3807 1 6 . 1 1 85 85 GLN N N 85 119.913 119.913 121.805 -1.892 19459 3808 1 6 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.835 -0.016 19459 3809 1 6 . 1 1 85 85 GLN C C 85 172.795 172.795 174.907 -2.112 19459 3810 1 6 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.135 0.030 19459 3811 1 6 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.450 0.293 19459 3812 1 6 . 1 1 85 85 GLN H H 85 8.211 8.211 8.434 -0.223 19459 3813 1 6 . 1 1 86 86 ILE N N 86 119.724 119.724 120.770 -1.046 19459 3814 1 6 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.981 -0.224 19459 3815 1 6 . 1 1 86 86 ILE C C 86 174.969 174.969 173.215 1.754 19459 3816 1 6 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.244 1.583 19459 3817 1 6 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.749 -0.955 19459 3818 1 6 . 1 1 86 86 ILE H H 86 9.215 9.215 8.790 0.425 19459 3819 1 6 . 1 1 87 87 LYS N N 87 117.135 117.135 120.407 -3.272 19459 3820 1 6 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.941 0.294 19459 3821 1 6 . 1 1 87 87 LYS C C 87 174.599 174.599 175.641 -1.042 19459 3822 1 6 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.269 -0.556 19459 3823 1 6 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.920 1.907 19459 3824 1 6 . 1 1 87 87 LYS H H 87 7.600 7.600 8.923 -1.323 19459 3825 1 6 . 1 1 88 88 TYR N N 88 119.004 119.004 125.348 -6.344 19459 3826 1 6 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.973 0.449 19459 3827 1 6 . 1 1 88 88 TYR C C 88 174.407 174.407 174.910 -0.503 19459 3828 1 6 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.314 -0.379 19459 3829 1 6 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.753 5.206 19459 3830 1 6 . 1 1 88 88 TYR H H 88 8.601 8.601 9.535 -0.934 19459 3831 1 6 . 1 1 89 89 SER N N 89 113.228 113.228 117.754 -4.526 19459 3832 1 6 . 1 1 89 89 SER HA H 89 4.668 4.668 5.216 -0.548 19459 3833 1 6 . 1 1 89 89 SER C C 89 177.136 177.136 174.119 3.017 19459 3834 1 6 . 1 1 89 89 SER CA C 89 57.291 57.291 56.379 0.912 19459 3835 1 6 . 1 1 89 89 SER CB C 89 66.534 66.534 64.707 1.827 19459 3836 1 6 . 1 1 89 89 SER H H 89 9.007 9.007 7.866 1.141 19459 3837 1 6 . 1 1 90 90 CYS N N 90 116.009 116.009 123.755 -7.746 19459 3838 1 6 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.199 1.222 19459 3839 1 6 . 1 1 90 90 CYS C C 90 173.812 173.812 174.703 -0.891 19459 3840 1 6 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.956 -5.872 19459 3841 1 6 . 1 1 90 90 CYS CB C 90 41.404 41.404 26.849 14.555 19459 3842 1 6 . 1 1 90 90 CYS H H 90 8.806 8.806 8.218 0.588 19459 3843 1 6 . 1 1 91 91 THR N N 91 120.813 120.813 109.955 10.858 19459 3844 1 6 . 1 1 91 91 THR HA H 91 3.994 3.994 4.268 -0.274 19459 3845 1 6 . 1 1 91 91 THR C C 91 176.445 176.445 173.029 3.416 19459 3846 1 6 . 1 1 91 91 THR CA C 91 63.440 63.440 61.241 2.199 19459 3847 1 6 . 1 1 91 91 THR CB C 91 69.608 69.608 71.073 -1.465 19459 3848 1 6 . 1 1 91 91 THR H H 91 8.737 8.737 6.825 1.912 19459 3849 1 6 . 1 1 92 92 LYS N N 92 124.963 124.963 122.781 2.182 19459 3850 1 6 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.540 -0.436 19459 3851 1 6 . 1 1 92 92 LYS C C 92 172.310 172.310 176.895 -4.585 19459 3852 1 6 . 1 1 92 92 LYS CA C 92 58.887 58.887 55.747 3.140 19459 3853 1 6 . 1 1 92 92 LYS CB C 92 32.139 32.139 31.829 0.309 19459 3854 1 6 . 1 1 92 92 LYS H H 92 8.325 8.325 8.597 -0.272 19459 3855 1 6 . 1 1 93 93 GLY N N 93 113.608 113.608 116.123 -2.515 19459 3856 1 6 . 1 1 93 93 GLY C C 93 175.127 175.127 173.144 1.983 19459 3857 1 6 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.891 -0.180 19459 3858 1 6 . 1 1 93 93 GLY H H 93 8.827 8.827 8.916 -0.089 19459 3859 1 6 . 1 1 94 94 TYR N N 94 119.900 119.900 116.942 2.958 19459 3860 1 6 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.797 -0.155 19459 3861 1 6 . 1 1 94 94 TYR C C 94 174.548 174.548 173.476 1.072 19459 3862 1 6 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.645 1.513 19459 3863 1 6 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.639 0.555 19459 3864 1 6 . 1 1 94 94 TYR H H 94 8.281 8.281 7.707 0.574 19459 3865 1 6 . 1 1 95 95 ARG N N 95 122.431 122.431 120.886 1.545 19459 3866 1 6 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.341 0.186 19459 3867 1 6 . 1 1 95 95 ARG C C 95 175.179 175.179 173.980 1.199 19459 3868 1 6 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.683 -0.130 19459 3869 1 6 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.113 0.088 19459 3870 1 6 . 1 1 95 95 ARG H H 95 9.608 9.608 8.532 1.076 19459 3871 1 6 . 1 1 96 96 LEU N N 96 125.652 125.652 124.625 1.027 19459 3872 1 6 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.663 -0.001 19459 3873 1 6 . 1 1 96 96 LEU C C 96 172.420 172.420 176.503 -4.083 19459 3874 1 6 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.110 2.393 19459 3875 1 6 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.933 -1.127 19459 3876 1 6 . 1 1 96 96 LEU H H 96 8.231 8.231 8.371 -0.140 19459 3877 1 6 . 1 1 97 97 ILE N N 97 131.597 131.597 125.577 6.020 19459 3878 1 6 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.958 0.282 19459 3879 1 6 . 1 1 97 97 ILE C C 97 174.158 174.158 176.929 -2.771 19459 3880 1 6 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.083 -0.914 19459 3881 1 6 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.899 -0.096 19459 3882 1 6 . 1 1 97 97 ILE H H 97 9.661 9.661 8.434 1.227 19459 3883 1 6 . 1 1 98 98 GLY N N 98 116.731 116.731 107.324 9.407 19459 3884 1 6 . 1 1 98 98 GLY C C 98 176.923 176.923 173.818 3.105 19459 3885 1 6 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.993 -0.929 19459 3886 1 6 . 1 1 98 98 GLY H H 98 8.465 8.465 7.705 0.760 19459 3887 1 6 . 1 1 99 99 SER N N 99 116.632 116.632 116.015 0.617 19459 3888 1 6 . 1 1 99 99 SER HA H 99 4.509 4.509 4.582 -0.073 19459 3889 1 6 . 1 1 99 99 SER C C 99 175.013 175.013 174.596 0.417 19459 3890 1 6 . 1 1 99 99 SER CA C 99 58.328 58.328 57.634 0.694 19459 3891 1 6 . 1 1 99 99 SER CB C 99 63.996 63.996 63.524 0.472 19459 3892 1 6 . 1 1 99 99 SER H H 99 8.759 8.759 8.497 0.262 19459 3893 1 6 . 1 1 100 100 SER N N 100 116.696 116.696 121.827 -5.131 19459 3894 1 6 . 1 1 100 100 SER HA H 100 4.447 4.447 4.425 0.022 19459 3895 1 6 . 1 1 100 100 SER C C 100 175.403 175.403 174.612 0.791 19459 3896 1 6 . 1 1 100 100 SER CA C 100 59.209 59.209 61.081 -1.872 19459 3897 1 6 . 1 1 100 100 SER CB C 100 64.035 64.035 63.979 0.056 19459 3898 1 6 . 1 1 100 100 SER H H 100 8.617 8.617 8.718 -0.101 19459 3899 1 6 . 1 1 101 101 SER N N 101 115.247 115.247 114.565 0.682 19459 3900 1 6 . 1 1 101 101 SER HA H 101 5.346 5.346 5.638 -0.292 19459 3901 1 6 . 1 1 101 101 SER C C 101 176.888 176.888 172.621 4.267 19459 3902 1 6 . 1 1 101 101 SER CA C 101 57.021 57.021 57.088 -0.067 19459 3903 1 6 . 1 1 101 101 SER CB C 101 66.391 66.391 66.513 -0.122 19459 3904 1 6 . 1 1 101 101 SER H H 101 7.952 7.952 7.551 0.401 19459 3905 1 6 . 1 1 102 102 ALA N N 102 121.438 121.438 124.983 -3.545 19459 3906 1 6 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.361 -0.274 19459 3907 1 6 . 1 1 102 102 ALA C C 102 173.807 173.807 176.084 -2.277 19459 3908 1 6 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.434 1.389 19459 3909 1 6 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.889 1.182 19459 3910 1 6 . 1 1 102 102 ALA H H 102 8.286 8.286 8.732 -0.446 19459 3911 1 6 . 1 1 103 103 THR N N 103 118.007 118.007 117.867 0.140 19459 3912 1 6 . 1 1 103 103 THR HA H 103 5.560 5.560 5.624 -0.064 19459 3913 1 6 . 1 1 103 103 THR C C 103 176.159 176.159 173.979 2.180 19459 3914 1 6 . 1 1 103 103 THR CA C 103 61.342 61.342 61.382 -0.040 19459 3915 1 6 . 1 1 103 103 THR CB C 103 71.171 71.171 70.783 0.388 19459 3916 1 6 . 1 1 103 103 THR H H 103 9.636 9.636 9.493 0.143 19459 3917 1 6 . 1 1 104 104 CYS N N 104 127.602 127.602 128.587 -0.985 19459 3918 1 6 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.764 -0.398 19459 3919 1 6 . 1 1 104 104 CYS C C 104 174.892 174.892 173.910 0.982 19459 3920 1 6 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.402 -1.923 19459 3921 1 6 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.355 12.830 19459 3922 1 6 . 1 1 104 104 CYS H H 104 8.338 8.338 8.596 -0.258 19459 3923 1 6 . 1 1 105 105 ILE N N 105 126.775 126.775 124.364 2.411 19459 3924 1 6 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.016 -0.107 19459 3925 1 6 . 1 1 105 105 ILE C C 105 174.390 174.390 173.760 0.630 19459 3926 1 6 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.760 1.461 19459 3927 1 6 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.896 0.626 19459 3928 1 6 . 1 1 105 105 ILE H H 105 9.375 9.375 9.105 0.270 19459 3929 1 6 . 1 1 106 106 ILE N N 106 118.256 118.256 122.244 -3.988 19459 3930 1 6 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.120 -0.050 19459 3931 1 6 . 1 1 106 106 ILE C C 106 172.560 172.560 176.508 -3.948 19459 3932 1 6 . 1 1 106 106 ILE CA C 106 61.889 61.889 61.162 0.727 19459 3933 1 6 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.483 3.202 19459 3934 1 6 . 1 1 106 106 ILE H H 106 8.041 8.041 8.727 -0.686 19459 3935 1 6 . 1 1 107 107 SER N N 107 120.167 120.167 123.071 -2.904 19459 3936 1 6 . 1 1 107 107 SER HA H 107 4.376 4.376 4.583 -0.207 19459 3937 1 6 . 1 1 107 107 SER C C 107 174.594 174.594 175.699 -1.105 19459 3938 1 6 . 1 1 107 107 SER CA C 107 57.111 57.111 58.432 -1.321 19459 3939 1 6 . 1 1 107 107 SER CB C 107 63.835 63.835 64.124 -0.289 19459 3940 1 6 . 1 1 107 107 SER H H 107 8.013 8.013 9.100 -1.087 19459 3941 1 6 . 1 1 108 108 GLY N N 108 119.089 119.089 110.085 9.004 19459 3942 1 6 . 1 1 108 108 GLY C C 108 174.665 174.665 175.147 -0.482 19459 3943 1 6 . 1 1 108 108 GLY CA C 108 47.488 47.488 46.119 1.369 19459 3944 1 6 . 1 1 108 108 GLY H H 108 9.116 9.116 7.857 1.259 19459 3945 1 6 . 1 1 109 109 ASP N N 109 127.143 127.143 121.530 5.613 19459 3946 1 6 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.585 0.176 19459 3947 1 6 . 1 1 109 109 ASP C C 109 173.724 173.724 176.405 -2.681 19459 3948 1 6 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.876 -2.153 19459 3949 1 6 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.001 0.231 19459 3950 1 6 . 1 1 109 109 ASP H H 109 8.845 8.845 8.335 0.510 19459 3951 1 6 . 1 1 110 110 THR N N 110 115.044 115.044 111.509 3.535 19459 3952 1 6 . 1 1 110 110 THR HA H 110 4.663 4.663 4.483 0.180 19459 3953 1 6 . 1 1 110 110 THR C C 110 175.636 175.636 172.405 3.231 19459 3954 1 6 . 1 1 110 110 THR CA C 110 58.612 58.612 61.091 -2.479 19459 3955 1 6 . 1 1 110 110 THR CB C 110 71.146 71.146 70.930 0.216 19459 3956 1 6 . 1 1 110 110 THR H H 110 8.134 8.134 7.409 0.725 19459 3957 1 6 . 1 1 111 111 VAL N N 111 115.728 115.728 118.331 -2.603 19459 3958 1 6 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.020 0.295 19459 3959 1 6 . 1 1 111 111 VAL C C 111 174.752 174.752 174.004 0.748 19459 3960 1 6 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.406 -1.765 19459 3961 1 6 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.992 0.832 19459 3962 1 6 . 1 1 111 111 VAL H H 111 8.310 8.310 8.485 -0.175 19459 3963 1 6 . 1 1 112 112 ILE N N 112 117.116 117.116 118.446 -1.330 19459 3964 1 6 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.666 -0.160 19459 3965 1 6 . 1 1 112 112 ILE C C 112 174.637 174.637 174.448 0.189 19459 3966 1 6 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.890 0.605 19459 3967 1 6 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.754 1.437 19459 3968 1 6 . 1 1 112 112 ILE H H 112 8.945 8.945 8.764 0.181 19459 3969 1 6 . 1 1 113 113 TRP N N 113 121.755 121.755 121.247 0.508 19459 3970 1 6 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.958 0.149 19459 3971 1 6 . 1 1 113 113 TRP C C 113 170.413 170.413 176.796 -6.383 19459 3972 1 6 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.680 -0.303 19459 3973 1 6 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.160 -0.864 19459 3974 1 6 . 1 1 113 113 TRP H H 113 7.567 7.567 8.653 -1.086 19459 3975 1 6 . 1 1 114 114 ASP N N 114 123.286 123.286 118.745 4.541 19459 3976 1 6 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.555 -0.348 19459 3977 1 6 . 1 1 114 114 ASP C C 114 174.083 174.083 176.141 -2.058 19459 3978 1 6 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.613 0.788 19459 3979 1 6 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.128 -0.979 19459 3980 1 6 . 1 1 114 114 ASP H H 114 9.451 9.451 8.446 1.005 19459 3981 1 6 . 1 1 115 115 GLN N N 115 116.139 116.139 120.095 -3.956 19459 3982 1 6 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.233 0.512 19459 3983 1 6 . 1 1 115 115 GLN C C 115 173.639 173.639 176.515 -2.876 19459 3984 1 6 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.162 -2.979 19459 3985 1 6 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.385 2.938 19459 3986 1 6 . 1 1 115 115 GLN H H 115 7.305 7.305 7.946 -0.641 19459 3987 1 6 . 1 1 116 116 GLU N N 116 120.881 120.881 122.171 -1.290 19459 3988 1 6 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.211 0.119 19459 3989 1 6 . 1 1 116 116 GLU C C 116 173.578 173.578 176.641 -3.063 19459 3990 1 6 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.355 -3.198 19459 3991 1 6 . 1 1 116 116 GLU CB C 116 30.215 30.215 29.849 0.365 19459 3992 1 6 . 1 1 116 116 GLU H H 116 8.615 8.615 8.608 0.007 19459 3993 1 6 . 1 1 117 117 THR N N 117 119.889 119.889 110.660 9.229 19459 3994 1 6 . 1 1 117 117 THR HA H 117 3.609 3.609 4.424 -0.815 19459 3995 1 6 . 1 1 117 117 THR C C 117 176.699 176.699 171.525 5.174 19459 3996 1 6 . 1 1 117 117 THR CA C 117 61.757 61.757 60.080 1.677 19459 3997 1 6 . 1 1 117 117 THR CB C 117 69.799 69.799 69.784 0.016 19459 3998 1 6 . 1 1 117 117 THR H H 117 8.075 8.075 7.484 0.591 19459 3999 1 6 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.348 0.184 19459 4000 1 6 . 1 1 118 118 PRO C C 118 175.300 175.300 175.892 -0.592 19459 4001 1 6 . 1 1 118 118 PRO CA C 118 62.360 62.360 63.235 -0.875 19459 4002 1 6 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.980 0.908 19459 4003 1 6 . 1 1 119 119 ILE N N 119 114.729 114.729 121.854 -7.125 19459 4004 1 6 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.344 -0.057 19459 4005 1 6 . 1 1 119 119 ILE C C 119 174.748 174.748 175.183 -0.435 19459 4006 1 6 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.651 -1.409 19459 4007 1 6 . 1 1 119 119 ILE CB C 119 41.184 41.184 42.413 -1.229 19459 4008 1 6 . 1 1 119 119 ILE H H 119 7.874 7.874 8.039 -0.165 19459 4009 1 6 . 1 1 120 120 CYS N N 120 123.444 123.444 124.244 -0.800 19459 4010 1 6 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.815 0.735 19459 4011 1 6 . 1 1 120 120 CYS C C 120 175.583 175.583 174.605 0.978 19459 4012 1 6 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.622 -4.928 19459 4013 1 6 . 1 1 120 120 CYS CB C 120 41.450 41.450 29.363 12.087 19459 4014 1 6 . 1 1 120 120 CYS H H 120 8.583 8.583 8.543 0.040 19459 4015 1 6 . 1 1 121 121 ASP N N 121 124.459 124.459 125.115 -0.656 19459 4016 1 6 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.532 0.775 19459 4017 1 6 . 1 1 121 121 ASP C C 121 174.495 174.495 176.548 -2.053 19459 4018 1 6 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.138 -2.921 19459 4019 1 6 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.454 2.949 19459 4020 1 6 . 1 1 121 121 ASP H H 121 9.309 9.309 9.031 0.278 19459 4021 1 7 . 1 1 2 2 CYS N N 2 117.967 117.967 118.458 -0.491 19459 4022 1 7 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.733 -0.206 19459 4023 1 7 . 1 1 2 2 CYS C C 2 174.023 174.023 175.394 -1.371 19459 4024 1 7 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.256 -0.284 19459 4025 1 7 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.785 17.274 19459 4026 1 7 . 1 1 2 2 CYS H H 2 9.327 9.327 8.430 0.897 19459 4027 1 7 . 1 1 3 3 ASN N N 3 119.722 119.722 115.438 4.284 19459 4028 1 7 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.362 0.887 19459 4029 1 7 . 1 1 3 3 ASN C C 3 175.027 175.027 174.608 0.419 19459 4030 1 7 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.767 -1.254 19459 4031 1 7 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.248 2.395 19459 4032 1 7 . 1 1 3 3 ASN H H 3 8.686 8.686 8.549 0.137 19459 4033 1 7 . 1 1 4 4 ALA N N 4 122.403 122.403 119.271 3.132 19459 4034 1 7 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.658 -0.229 19459 4035 1 7 . 1 1 4 4 ALA C C 4 173.517 173.517 175.838 -2.321 19459 4036 1 7 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.416 -0.603 19459 4037 1 7 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.430 -1.443 19459 4038 1 7 . 1 1 4 4 ALA H H 4 8.401 8.401 7.973 0.428 19459 4039 1 7 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.314 -0.406 19459 4040 1 7 . 1 1 5 5 PRO C C 5 172.806 172.806 176.544 -3.738 19459 4041 1 7 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.179 -1.728 19459 4042 1 7 . 1 1 5 5 PRO CB C 5 31.552 31.552 31.925 -0.374 19459 4043 1 7 . 1 1 6 6 GLU N N 6 121.296 121.296 116.803 4.493 19459 4044 1 7 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.541 -0.350 19459 4045 1 7 . 1 1 6 6 GLU C C 6 172.835 172.835 174.721 -1.886 19459 4046 1 7 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.465 0.710 19459 4047 1 7 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.650 0.314 19459 4048 1 7 . 1 1 6 6 GLU H H 6 8.443 8.443 8.175 0.268 19459 4049 1 7 . 1 1 7 7 TRP N N 7 124.746 124.746 122.904 1.842 19459 4050 1 7 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.738 -0.806 19459 4051 1 7 . 1 1 7 7 TRP C C 7 174.236 174.236 174.590 -0.354 19459 4052 1 7 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.632 2.280 19459 4053 1 7 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.852 -0.819 19459 4054 1 7 . 1 1 7 7 TRP H H 7 8.674 8.674 8.481 0.193 19459 4055 1 7 . 1 1 8 8 LEU N N 8 125.782 125.782 131.534 -5.752 19459 4056 1 7 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.232 0.324 19459 4057 1 7 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.004 -0.039 19459 4058 1 7 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.420 -0.527 19459 4059 1 7 . 1 1 8 8 LEU H H 8 7.922 7.922 7.840 0.082 19459 4060 1 7 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.788 -0.190 19459 4061 1 7 . 1 1 9 9 PRO C C 9 172.961 172.961 176.426 -3.465 19459 4062 1 7 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.981 -0.441 19459 4063 1 7 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.454 -0.017 19459 4064 1 7 . 1 1 10 10 PHE N N 10 106.863 106.863 111.819 -4.956 19459 4065 1 7 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.646 -1.037 19459 4066 1 7 . 1 1 10 10 PHE C C 10 175.535 175.535 174.608 0.927 19459 4067 1 7 . 1 1 10 10 PHE CA C 10 53.857 53.857 54.602 -0.745 19459 4068 1 7 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.463 3.312 19459 4069 1 7 . 1 1 10 10 PHE H H 10 5.588 5.588 6.469 -0.881 19459 4070 1 7 . 1 1 11 11 ALA N N 11 121.214 121.214 124.218 -3.004 19459 4071 1 7 . 1 1 11 11 ALA HA H 11 5.143 5.143 4.738 0.405 19459 4072 1 7 . 1 1 11 11 ALA C C 11 175.918 175.918 177.143 -1.225 19459 4073 1 7 . 1 1 11 11 ALA CA C 11 51.868 51.868 51.252 0.617 19459 4074 1 7 . 1 1 11 11 ALA CB C 11 24.730 24.730 20.277 4.452 19459 4075 1 7 . 1 1 11 11 ALA H H 11 6.349 6.349 7.031 -0.682 19459 4076 1 7 . 1 1 12 12 ARG N N 12 117.160 117.160 122.290 -5.130 19459 4077 1 7 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.737 -0.040 19459 4078 1 7 . 1 1 12 12 ARG C C 12 178.499 178.499 173.754 4.745 19459 4079 1 7 . 1 1 12 12 ARG CB C 12 30.865 30.865 28.916 1.949 19459 4080 1 7 . 1 1 12 12 ARG H H 12 9.219 9.219 8.409 0.810 19459 4081 1 7 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.478 -0.809 19459 4082 1 7 . 1 1 13 13 PRO C C 13 171.555 171.555 177.499 -5.944 19459 4083 1 7 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.204 -0.823 19459 4084 1 7 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.892 -0.344 19459 4085 1 7 . 1 1 14 14 THR N N 14 112.823 112.823 112.128 0.695 19459 4086 1 7 . 1 1 14 14 THR HA H 14 3.905 3.905 4.256 -0.351 19459 4087 1 7 . 1 1 14 14 THR C C 14 174.364 174.364 175.006 -0.642 19459 4088 1 7 . 1 1 14 14 THR CA C 14 63.180 63.180 62.945 0.235 19459 4089 1 7 . 1 1 14 14 THR CB C 14 68.154 68.154 68.878 -0.724 19459 4090 1 7 . 1 1 14 14 THR H H 14 8.062 8.062 8.168 -0.106 19459 4091 1 7 . 1 1 15 15 GLN N N 15 119.736 119.736 118.845 0.891 19459 4092 1 7 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.485 0.016 19459 4093 1 7 . 1 1 15 15 GLN C C 15 174.815 174.815 176.750 -1.935 19459 4094 1 7 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.057 -2.690 19459 4095 1 7 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.859 2.257 19459 4096 1 7 . 1 1 15 15 GLN H H 15 7.758 7.758 7.840 -0.082 19459 4097 1 7 . 1 1 16 16 LEU N N 16 124.583 124.583 122.436 2.147 19459 4098 1 7 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.140 0.221 19459 4099 1 7 . 1 1 16 16 LEU C C 16 172.167 172.167 178.447 -6.280 19459 4100 1 7 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.703 -2.406 19459 4101 1 7 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.645 0.389 19459 4102 1 7 . 1 1 16 16 LEU H H 16 8.458 8.458 8.116 0.342 19459 4103 1 7 . 1 1 17 17 THR N N 17 116.730 116.730 111.761 4.969 19459 4104 1 7 . 1 1 17 17 THR HA H 17 4.633 4.633 3.859 0.774 19459 4105 1 7 . 1 1 17 17 THR C C 17 175.703 175.703 174.922 0.781 19459 4106 1 7 . 1 1 17 17 THR CA C 17 60.358 60.358 65.327 -4.969 19459 4107 1 7 . 1 1 17 17 THR CB C 17 70.110 70.110 68.562 1.548 19459 4108 1 7 . 1 1 17 17 THR H H 17 8.325 8.325 7.904 0.421 19459 4109 1 7 . 1 1 18 18 ASP N N 18 122.839 122.839 117.653 5.186 19459 4110 1 7 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.786 -0.044 19459 4111 1 7 . 1 1 18 18 ASP C C 18 173.642 173.642 174.904 -1.262 19459 4112 1 7 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.013 -0.800 19459 4113 1 7 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.595 -2.673 19459 4114 1 7 . 1 1 18 18 ASP H H 18 8.487 8.487 7.544 0.943 19459 4115 1 7 . 1 1 19 19 GLU N N 19 120.523 120.523 118.850 1.673 19459 4116 1 7 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.490 -0.417 19459 4117 1 7 . 1 1 19 19 GLU C C 19 174.249 174.249 175.114 -0.865 19459 4118 1 7 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.282 0.868 19459 4119 1 7 . 1 1 19 19 GLU CB C 19 29.343 29.343 30.038 -0.695 19459 4120 1 7 . 1 1 19 19 GLU H H 19 7.931 7.931 7.271 0.660 19459 4121 1 7 . 1 1 20 20 PHE N N 20 118.500 118.500 120.017 -1.517 19459 4122 1 7 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.707 0.039 19459 4123 1 7 . 1 1 20 20 PHE C C 20 174.885 174.885 175.189 -0.304 19459 4124 1 7 . 1 1 20 20 PHE CA C 20 57.514 57.514 58.922 -1.408 19459 4125 1 7 . 1 1 20 20 PHE CB C 20 40.483 40.483 40.004 0.479 19459 4126 1 7 . 1 1 20 20 PHE H H 20 8.279 8.279 8.404 -0.125 19459 4127 1 7 . 1 1 21 21 GLU N N 21 117.080 117.080 118.836 -1.756 19459 4128 1 7 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.674 0.336 19459 4129 1 7 . 1 1 21 21 GLU C C 21 174.900 174.900 174.825 0.075 19459 4130 1 7 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.944 -1.671 19459 4131 1 7 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.510 -0.137 19459 4132 1 7 . 1 1 21 21 GLU H H 21 7.022 7.022 7.767 -0.745 19459 4133 1 7 . 1 1 22 22 PHE N N 22 119.655 119.655 121.746 -2.091 19459 4134 1 7 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.851 0.118 19459 4135 1 7 . 1 1 22 22 PHE C C 22 176.708 176.708 172.950 3.758 19459 4136 1 7 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.539 -0.763 19459 4137 1 7 . 1 1 22 22 PHE CB C 22 41.746 41.746 43.020 -1.274 19459 4138 1 7 . 1 1 22 22 PHE H H 22 8.974 8.974 8.472 0.502 19459 4139 1 7 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.706 -0.118 19459 4140 1 7 . 1 1 23 23 PRO C C 23 171.163 171.163 176.910 -5.747 19459 4141 1 7 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.396 0.021 19459 4142 1 7 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.397 0.258 19459 4143 1 7 . 1 1 24 24 ILE N N 24 123.238 123.238 120.564 2.674 19459 4144 1 7 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.696 -0.286 19459 4145 1 7 . 1 1 24 24 ILE C C 24 172.283 172.283 177.726 -5.443 19459 4146 1 7 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.951 1.095 19459 4147 1 7 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.365 0.084 19459 4148 1 7 . 1 1 24 24 ILE H H 24 8.199 8.199 8.501 -0.302 19459 4149 1 7 . 1 1 25 25 GLY N N 25 115.962 115.962 114.554 1.408 19459 4150 1 7 . 1 1 25 25 GLY C C 25 174.927 174.927 174.147 0.780 19459 4151 1 7 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.911 -0.488 19459 4152 1 7 . 1 1 25 25 GLY H H 25 9.061 9.061 8.673 0.388 19459 4153 1 7 . 1 1 26 26 THR N N 26 117.152 117.152 117.651 -0.499 19459 4154 1 7 . 1 1 26 26 THR HA H 26 4.081 4.081 4.623 -0.542 19459 4155 1 7 . 1 1 26 26 THR C C 26 176.723 176.723 173.432 3.291 19459 4156 1 7 . 1 1 26 26 THR CA C 26 65.711 65.711 61.658 4.053 19459 4157 1 7 . 1 1 26 26 THR CB C 26 70.084 70.084 70.474 -0.390 19459 4158 1 7 . 1 1 26 26 THR H H 26 7.704 7.704 7.332 0.372 19459 4159 1 7 . 1 1 27 27 TYR N N 27 125.094 125.094 126.157 -1.063 19459 4160 1 7 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.796 0.996 19459 4161 1 7 . 1 1 27 27 TYR C C 27 173.835 173.835 175.414 -1.579 19459 4162 1 7 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.031 -2.168 19459 4163 1 7 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.520 1.356 19459 4164 1 7 . 1 1 27 27 TYR H H 27 8.542 8.542 8.870 -0.328 19459 4165 1 7 . 1 1 28 28 LEU N N 28 120.714 120.714 124.931 -4.217 19459 4166 1 7 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.708 0.076 19459 4167 1 7 . 1 1 28 28 LEU C C 28 172.808 172.808 175.977 -3.169 19459 4168 1 7 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.365 -0.182 19459 4169 1 7 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.695 1.243 19459 4170 1 7 . 1 1 28 28 LEU H H 28 9.000 9.000 8.523 0.477 19459 4171 1 7 . 1 1 29 29 ASN N N 29 121.617 121.617 122.253 -0.636 19459 4172 1 7 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.864 0.036 19459 4173 1 7 . 1 1 29 29 ASN C C 29 174.783 174.783 173.872 0.911 19459 4174 1 7 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.590 1.642 19459 4175 1 7 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.827 0.364 19459 4176 1 7 . 1 1 29 29 ASN H H 29 8.544 8.544 8.871 -0.327 19459 4177 1 7 . 1 1 30 30 TYR N N 30 126.738 126.738 124.878 1.860 19459 4178 1 7 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.560 0.126 19459 4179 1 7 . 1 1 30 30 TYR C C 30 174.911 174.911 174.480 0.431 19459 4180 1 7 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.294 -0.393 19459 4181 1 7 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.790 4.052 19459 4182 1 7 . 1 1 30 30 TYR H H 30 9.324 9.324 7.960 1.364 19459 4183 1 7 . 1 1 31 31 GLU N N 31 114.116 114.116 120.955 -6.839 19459 4184 1 7 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.631 0.079 19459 4185 1 7 . 1 1 31 31 GLU C C 31 173.694 173.694 174.366 -0.672 19459 4186 1 7 . 1 1 31 31 GLU CA C 31 53.119 53.119 55.026 -1.907 19459 4187 1 7 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.310 -0.684 19459 4188 1 7 . 1 1 31 31 GLU H H 31 8.553 8.553 8.195 0.358 19459 4189 1 7 . 1 1 32 32 CYS N N 32 121.086 121.086 120.162 0.924 19459 4190 1 7 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.291 -0.240 19459 4191 1 7 . 1 1 32 32 CYS C C 32 173.553 173.553 175.835 -2.282 19459 4192 1 7 . 1 1 32 32 CYS CA C 32 54.480 54.480 57.825 -3.345 19459 4193 1 7 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.325 9.162 19459 4194 1 7 . 1 1 32 32 CYS H H 32 9.784 9.784 8.525 1.259 19459 4195 1 7 . 1 1 33 33 ARG N N 33 123.418 123.418 124.109 -0.691 19459 4196 1 7 . 1 1 33 33 ARG C C 33 176.822 176.822 174.533 2.289 19459 4197 1 7 . 1 1 33 33 ARG CA C 33 56.311 56.311 53.479 2.832 19459 4198 1 7 . 1 1 33 33 ARG CB C 33 29.343 29.343 27.956 1.387 19459 4199 1 7 . 1 1 33 33 ARG H H 33 7.898 7.898 8.397 -0.499 19459 4200 1 7 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.396 -0.016 19459 4201 1 7 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.861 0.194 19459 4202 1 7 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.506 -0.171 19459 4203 1 7 . 1 1 35 35 GLY N N 35 111.039 111.039 108.657 2.382 19459 4204 1 7 . 1 1 35 35 GLY C C 35 177.546 177.546 173.104 4.442 19459 4205 1 7 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.824 -0.925 19459 4206 1 7 . 1 1 35 35 GLY H H 35 8.378 8.378 8.553 -0.175 19459 4207 1 7 . 1 1 36 36 TYR N N 36 116.682 116.682 119.003 -2.321 19459 4208 1 7 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.101 -0.080 19459 4209 1 7 . 1 1 36 36 TYR C C 36 174.005 174.005 175.672 -1.667 19459 4210 1 7 . 1 1 36 36 TYR CA C 36 56.495 56.495 55.672 0.823 19459 4211 1 7 . 1 1 36 36 TYR CB C 36 40.981 40.981 41.393 -0.412 19459 4212 1 7 . 1 1 36 36 TYR H H 36 8.175 8.175 7.314 0.861 19459 4213 1 7 . 1 1 37 37 SER N N 37 115.855 115.855 117.218 -1.363 19459 4214 1 7 . 1 1 37 37 SER HA H 37 4.819 4.819 4.673 0.146 19459 4215 1 7 . 1 1 37 37 SER C C 37 175.442 175.442 174.422 1.020 19459 4216 1 7 . 1 1 37 37 SER CA C 37 56.534 56.534 57.990 -1.456 19459 4217 1 7 . 1 1 37 37 SER CB C 37 65.642 65.642 64.358 1.284 19459 4218 1 7 . 1 1 37 37 SER H H 37 9.711 9.711 8.935 0.776 19459 4219 1 7 . 1 1 38 38 GLY N N 38 113.435 113.435 107.662 5.773 19459 4220 1 7 . 1 1 38 38 GLY C C 38 175.876 175.876 172.710 3.166 19459 4221 1 7 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.828 0.440 19459 4222 1 7 . 1 1 38 38 GLY H H 38 8.288 8.288 8.175 0.114 19459 4223 1 7 . 1 1 39 39 ARG N N 39 124.199 124.199 120.672 3.527 19459 4224 1 7 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.866 -0.127 19459 4225 1 7 . 1 1 39 39 ARG C C 39 175.413 175.413 173.792 1.621 19459 4226 1 7 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.733 2.007 19459 4227 1 7 . 1 1 39 39 ARG CB C 39 29.634 29.634 32.499 -2.865 19459 4228 1 7 . 1 1 39 39 ARG H H 39 8.350 8.350 8.178 0.172 19459 4229 1 7 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.629 0.029 19459 4230 1 7 . 1 1 40 40 PRO C C 40 173.702 173.702 175.209 -1.507 19459 4231 1 7 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.822 1.648 19459 4232 1 7 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.322 0.866 19459 4233 1 7 . 1 1 41 41 PHE N N 41 118.388 118.388 122.266 -3.878 19459 4234 1 7 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.678 0.485 19459 4235 1 7 . 1 1 41 41 PHE C C 41 176.886 176.886 174.945 1.941 19459 4236 1 7 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.609 -1.043 19459 4237 1 7 . 1 1 41 41 PHE CB C 41 41.264 41.264 43.097 -1.833 19459 4238 1 7 . 1 1 41 41 PHE H H 41 8.017 8.017 7.884 0.133 19459 4239 1 7 . 1 1 42 42 SER N N 42 114.056 114.056 116.756 -2.700 19459 4240 1 7 . 1 1 42 42 SER HA H 42 5.771 5.771 5.377 0.394 19459 4241 1 7 . 1 1 42 42 SER C C 42 174.978 174.978 174.559 0.419 19459 4242 1 7 . 1 1 42 42 SER CA C 42 56.668 56.668 58.395 -1.726 19459 4243 1 7 . 1 1 42 42 SER CB C 42 66.152 66.152 63.935 2.217 19459 4244 1 7 . 1 1 42 42 SER H H 42 8.540 8.540 8.490 0.050 19459 4245 1 7 . 1 1 43 43 ILE N N 43 115.669 115.669 118.840 -3.171 19459 4246 1 7 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.541 0.524 19459 4247 1 7 . 1 1 43 43 ILE C C 43 174.535 174.535 174.656 -0.121 19459 4248 1 7 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.071 -0.027 19459 4249 1 7 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.299 1.056 19459 4250 1 7 . 1 1 43 43 ILE H H 43 8.637 8.637 8.056 0.581 19459 4251 1 7 . 1 1 44 44 ILE N N 44 120.215 120.215 125.342 -5.127 19459 4252 1 7 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.104 0.182 19459 4253 1 7 . 1 1 44 44 ILE C C 44 174.033 174.033 176.739 -2.706 19459 4254 1 7 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.771 0.885 19459 4255 1 7 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.458 1.872 19459 4256 1 7 . 1 1 44 44 ILE H H 44 8.687 8.687 8.231 0.456 19459 4257 1 7 . 1 1 45 45 CYS N N 45 126.257 126.257 126.948 -0.691 19459 4258 1 7 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.056 -0.304 19459 4259 1 7 . 1 1 45 45 CYS C C 45 174.946 174.946 175.909 -0.963 19459 4260 1 7 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.033 -4.967 19459 4261 1 7 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.774 14.837 19459 4262 1 7 . 1 1 45 45 CYS H H 45 7.993 7.993 8.674 -0.681 19459 4263 1 7 . 1 1 46 46 LEU N N 46 132.514 132.514 124.656 7.858 19459 4264 1 7 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.320 0.096 19459 4265 1 7 . 1 1 46 46 LEU C C 46 172.195 172.195 176.930 -4.735 19459 4266 1 7 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.738 -1.394 19459 4267 1 7 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.670 1.534 19459 4268 1 7 . 1 1 46 46 LEU H H 46 8.826 8.826 8.245 0.582 19459 4269 1 7 . 1 1 47 47 LYS N N 47 115.254 115.254 120.536 -5.282 19459 4270 1 7 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.174 -0.186 19459 4271 1 7 . 1 1 47 47 LYS C C 47 173.781 173.781 176.436 -2.655 19459 4272 1 7 . 1 1 47 47 LYS CA C 47 57.983 57.983 57.056 0.927 19459 4273 1 7 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.708 -1.500 19459 4274 1 7 . 1 1 47 47 LYS H H 47 7.949 7.949 7.566 0.383 19459 4275 1 7 . 1 1 48 48 ASN N N 48 115.283 115.283 123.057 -7.774 19459 4276 1 7 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.430 0.106 19459 4277 1 7 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.033 -0.493 19459 4278 1 7 . 1 1 48 48 ASN CB C 48 36.372 36.372 36.819 -0.447 19459 4279 1 7 . 1 1 48 48 ASN H H 48 8.432 8.432 9.263 -0.831 19459 4280 1 7 . 1 1 49 49 SER N N 49 110.595 110.595 106.971 3.624 19459 4281 1 7 . 1 1 49 49 SER HA H 49 3.969 3.969 3.882 0.087 19459 4282 1 7 . 1 1 49 49 SER CA C 49 59.790 59.790 59.985 -0.195 19459 4283 1 7 . 1 1 49 49 SER CB C 49 60.870 60.870 62.334 -1.464 19459 4284 1 7 . 1 1 49 49 SER H H 49 8.457 8.457 8.078 0.379 19459 4285 1 7 . 1 1 50 50 VAL N N 50 117.680 117.680 118.006 -0.326 19459 4286 1 7 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.939 0.394 19459 4287 1 7 . 1 1 50 50 VAL C C 50 175.347 175.347 176.052 -0.705 19459 4288 1 7 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.876 -3.992 19459 4289 1 7 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.805 2.032 19459 4290 1 7 . 1 1 50 50 VAL H H 50 6.840 6.840 7.791 -0.951 19459 4291 1 7 . 1 1 51 51 TRP N N 51 123.510 123.510 115.724 7.786 19459 4292 1 7 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.097 0.225 19459 4293 1 7 . 1 1 51 51 TRP C C 51 170.736 170.736 177.842 -7.106 19459 4294 1 7 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.669 -0.731 19459 4295 1 7 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.276 -1.485 19459 4296 1 7 . 1 1 51 51 TRP H H 51 8.310 8.310 7.512 0.798 19459 4297 1 7 . 1 1 52 52 THR N N 52 115.962 115.962 113.622 2.340 19459 4298 1 7 . 1 1 52 52 THR HA H 52 4.656 4.656 4.099 0.557 19459 4299 1 7 . 1 1 52 52 THR C C 52 175.780 175.780 175.611 0.169 19459 4300 1 7 . 1 1 52 52 THR CA C 52 61.376 61.376 64.684 -3.308 19459 4301 1 7 . 1 1 52 52 THR CB C 52 70.723 70.723 69.097 1.626 19459 4302 1 7 . 1 1 52 52 THR H H 52 9.026 9.026 8.596 0.430 19459 4303 1 7 . 1 1 53 53 GLY N N 53 108.521 108.521 105.870 2.651 19459 4304 1 7 . 1 1 53 53 GLY C C 53 174.881 174.881 173.746 1.135 19459 4305 1 7 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.786 0.558 19459 4306 1 7 . 1 1 53 53 GLY H H 53 8.292 8.292 7.821 0.471 19459 4307 1 7 . 1 1 54 54 ALA N N 54 121.857 121.857 123.514 -1.657 19459 4308 1 7 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.838 0.315 19459 4309 1 7 . 1 1 54 54 ALA C C 54 172.786 172.786 176.622 -3.836 19459 4310 1 7 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.648 -0.951 19459 4311 1 7 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.498 2.216 19459 4312 1 7 . 1 1 54 54 ALA H H 54 8.443 8.443 7.908 0.535 19459 4313 1 7 . 1 1 55 55 LYS N N 55 118.318 118.318 119.628 -1.310 19459 4314 1 7 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.179 -0.435 19459 4315 1 7 . 1 1 55 55 LYS C C 55 172.519 172.519 176.742 -4.223 19459 4316 1 7 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.834 2.110 19459 4317 1 7 . 1 1 55 55 LYS CB C 55 32.632 32.632 33.108 -0.476 19459 4318 1 7 . 1 1 55 55 LYS H H 55 7.612 7.612 7.767 -0.155 19459 4319 1 7 . 1 1 56 56 ASP N N 56 119.214 119.214 123.587 -4.373 19459 4320 1 7 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.483 -0.366 19459 4321 1 7 . 1 1 56 56 ASP C C 56 173.700 173.700 176.574 -2.874 19459 4322 1 7 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.143 0.241 19459 4323 1 7 . 1 1 56 56 ASP CB C 56 39.170 39.170 40.329 -1.159 19459 4324 1 7 . 1 1 56 56 ASP H H 56 8.555 8.555 8.857 -0.302 19459 4325 1 7 . 1 1 57 57 ARG N N 57 116.006 116.006 117.361 -1.355 19459 4326 1 7 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.138 -0.258 19459 4327 1 7 . 1 1 57 57 ARG C C 57 171.638 171.638 176.266 -4.628 19459 4328 1 7 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.653 -1.726 19459 4329 1 7 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.291 1.866 19459 4330 1 7 . 1 1 57 57 ARG H H 57 7.352 7.352 8.753 -1.401 19459 4331 1 7 . 1 1 58 58 CYS N N 58 115.000 115.000 114.158 0.842 19459 4332 1 7 . 1 1 58 58 CYS HA H 58 5.574 5.574 5.606 -0.032 19459 4333 1 7 . 1 1 58 58 CYS C C 58 175.576 175.576 174.361 1.215 19459 4334 1 7 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.209 -4.357 19459 4335 1 7 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.589 13.987 19459 4336 1 7 . 1 1 58 58 CYS H H 58 7.587 7.587 7.514 0.073 19459 4337 1 7 . 1 1 59 59 ARG N N 59 123.440 123.440 121.511 1.929 19459 4338 1 7 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.727 0.033 19459 4339 1 7 . 1 1 59 59 ARG C C 59 173.566 173.566 175.410 -1.844 19459 4340 1 7 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.588 -0.349 19459 4341 1 7 . 1 1 59 59 ARG CB C 59 32.802 32.802 34.268 -1.466 19459 4342 1 7 . 1 1 59 59 ARG H H 59 8.984 8.984 9.087 -0.103 19459 4343 1 7 . 1 1 60 60 ARG N N 60 125.644 125.644 122.588 3.056 19459 4344 1 7 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.207 -0.556 19459 4345 1 7 . 1 1 60 60 ARG C C 60 172.119 172.119 175.337 -3.218 19459 4346 1 7 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.105 3.193 19459 4347 1 7 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.520 -0.252 19459 4348 1 7 . 1 1 60 60 ARG H H 60 9.163 9.163 8.489 0.674 19459 4349 1 7 . 1 1 61 61 LYS N N 61 124.217 124.217 120.781 3.436 19459 4350 1 7 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.510 -0.393 19459 4351 1 7 . 1 1 61 61 LYS C C 61 173.791 173.791 176.361 -2.570 19459 4352 1 7 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.795 2.403 19459 4353 1 7 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.818 0.396 19459 4354 1 7 . 1 1 61 61 LYS H H 61 8.601 8.601 8.185 0.416 19459 4355 1 7 . 1 1 62 62 SER N N 62 114.120 114.120 114.896 -0.776 19459 4356 1 7 . 1 1 62 62 SER HA H 62 4.765 4.765 4.391 0.374 19459 4357 1 7 . 1 1 62 62 SER C C 62 175.019 175.019 174.315 0.704 19459 4358 1 7 . 1 1 62 62 SER CA C 62 58.227 58.227 58.413 -0.186 19459 4359 1 7 . 1 1 62 62 SER CB C 62 65.387 65.387 63.917 1.470 19459 4360 1 7 . 1 1 62 62 SER H H 62 8.494 8.494 8.308 0.186 19459 4361 1 7 . 1 1 63 63 CYS N N 63 122.858 122.858 120.565 2.293 19459 4362 1 7 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.652 -0.584 19459 4363 1 7 . 1 1 63 63 CYS C C 63 176.076 176.076 174.473 1.603 19459 4364 1 7 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.495 2.772 19459 4365 1 7 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.571 11.197 19459 4366 1 7 . 1 1 63 63 CYS H H 63 8.359 8.359 8.301 0.058 19459 4367 1 7 . 1 1 64 64 ARG N N 64 118.145 118.145 120.003 -1.858 19459 4368 1 7 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.822 -0.656 19459 4369 1 7 . 1 1 64 64 ARG C C 64 173.077 173.077 173.945 -0.868 19459 4370 1 7 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.202 0.778 19459 4371 1 7 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.526 -2.067 19459 4372 1 7 . 1 1 64 64 ARG H H 64 8.496 8.496 8.829 -0.333 19459 4373 1 7 . 1 1 65 65 ASN N N 65 122.302 122.302 118.589 3.713 19459 4374 1 7 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.167 -0.433 19459 4375 1 7 . 1 1 65 65 ASN C C 65 175.117 175.117 173.993 1.124 19459 4376 1 7 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.015 1.097 19459 4377 1 7 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.517 -1.150 19459 4378 1 7 . 1 1 65 65 ASN H H 65 8.691 8.691 8.955 -0.264 19459 4379 1 7 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.384 0.099 19459 4380 1 7 . 1 1 67 67 PRO C C 67 172.228 172.228 175.930 -3.702 19459 4381 1 7 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.212 -1.546 19459 4382 1 7 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.875 0.612 19459 4383 1 7 . 1 1 68 68 ASP N N 68 118.184 118.184 119.836 -1.652 19459 4384 1 7 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.465 0.177 19459 4385 1 7 . 1 1 68 68 ASP C C 68 173.951 173.951 175.327 -1.376 19459 4386 1 7 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.007 -0.828 19459 4387 1 7 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.194 0.305 19459 4388 1 7 . 1 1 68 68 ASP H H 68 8.201 8.201 7.598 0.603 19459 4389 1 7 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.375 -0.139 19459 4390 1 7 . 1 1 69 69 PRO C C 69 172.350 172.350 177.267 -4.917 19459 4391 1 7 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.650 -0.739 19459 4392 1 7 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.034 -1.799 19459 4393 1 7 . 1 1 70 70 VAL N N 70 125.745 125.745 120.571 5.174 19459 4394 1 7 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.694 -0.035 19459 4395 1 7 . 1 1 70 70 VAL C C 70 171.231 171.231 177.319 -6.088 19459 4396 1 7 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.414 -0.750 19459 4397 1 7 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.684 -0.833 19459 4398 1 7 . 1 1 70 70 VAL H H 70 8.251 8.251 8.395 -0.144 19459 4399 1 7 . 1 1 71 71 ASN N N 71 119.702 119.702 119.010 0.692 19459 4400 1 7 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.556 -0.555 19459 4401 1 7 . 1 1 71 71 ASN C C 71 176.167 176.167 175.774 0.393 19459 4402 1 7 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.665 0.855 19459 4403 1 7 . 1 1 71 71 ASN CB C 71 36.242 36.242 39.395 -3.153 19459 4404 1 7 . 1 1 71 71 ASN H H 71 8.994 8.994 7.702 1.292 19459 4405 1 7 . 1 1 72 72 GLY N N 72 104.254 104.254 106.659 -2.405 19459 4406 1 7 . 1 1 72 72 GLY C C 72 177.732 177.732 173.667 4.065 19459 4407 1 7 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.757 2.341 19459 4408 1 7 . 1 1 72 72 GLY H H 72 7.637 7.637 8.354 -0.717 19459 4409 1 7 . 1 1 73 73 MET N N 73 116.529 116.529 121.135 -4.606 19459 4410 1 7 . 1 1 73 73 MET HA H 73 4.887 4.887 4.790 0.097 19459 4411 1 7 . 1 1 73 73 MET C C 73 175.128 175.128 174.056 1.072 19459 4412 1 7 . 1 1 73 73 MET CA C 73 54.890 54.890 54.846 0.044 19459 4413 1 7 . 1 1 73 73 MET CB C 73 36.837 36.837 33.049 3.788 19459 4414 1 7 . 1 1 73 73 MET H H 73 8.819 8.819 7.693 1.126 19459 4415 1 7 . 1 1 74 74 VAL N N 74 122.511 122.511 122.401 0.110 19459 4416 1 7 . 1 1 74 74 VAL HA H 74 4.603 4.603 5.095 -0.492 19459 4417 1 7 . 1 1 74 74 VAL C C 74 176.573 176.573 174.606 1.967 19459 4418 1 7 . 1 1 74 74 VAL CA C 74 59.009 59.009 58.744 0.265 19459 4419 1 7 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.397 0.105 19459 4420 1 7 . 1 1 74 74 VAL H H 74 8.796 8.796 8.182 0.614 19459 4421 1 7 . 1 1 75 75 HIS N N 75 125.200 125.200 126.886 -1.686 19459 4422 1 7 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.842 -0.128 19459 4423 1 7 . 1 1 75 75 HIS C C 75 175.500 175.500 173.395 2.105 19459 4424 1 7 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.428 -0.743 19459 4425 1 7 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.056 -4.048 19459 4426 1 7 . 1 1 75 75 HIS H H 75 8.977 8.977 8.155 0.822 19459 4427 1 7 . 1 1 76 76 VAL N N 76 127.456 127.456 123.149 4.307 19459 4428 1 7 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.256 -0.084 19459 4429 1 7 . 1 1 76 76 VAL C C 76 173.257 173.257 175.081 -1.824 19459 4430 1 7 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.969 1.229 19459 4431 1 7 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.328 -1.988 19459 4432 1 7 . 1 1 76 76 VAL H H 76 8.926 8.926 8.489 0.437 19459 4433 1 7 . 1 1 77 77 ILE N N 77 126.756 126.756 129.639 -2.883 19459 4434 1 7 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.873 0.278 19459 4435 1 7 . 1 1 77 77 ILE C C 77 172.744 172.744 177.261 -4.517 19459 4436 1 7 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.159 -1.225 19459 4437 1 7 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.213 0.959 19459 4438 1 7 . 1 1 77 77 ILE H H 77 7.978 7.978 8.546 -0.568 19459 4439 1 7 . 1 1 78 78 LYS N N 78 123.427 123.427 117.882 5.545 19459 4440 1 7 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.421 0.156 19459 4441 1 7 . 1 1 78 78 LYS C C 78 172.800 172.800 177.282 -4.482 19459 4442 1 7 . 1 1 78 78 LYS CA C 78 55.383 55.383 54.954 0.429 19459 4443 1 7 . 1 1 78 78 LYS CB C 78 32.852 32.852 33.087 -0.235 19459 4444 1 7 . 1 1 78 78 LYS H H 78 9.415 9.415 8.412 1.003 19459 4445 1 7 . 1 1 79 79 GLY N N 79 108.777 108.777 105.706 3.071 19459 4446 1 7 . 1 1 79 79 GLY C C 79 176.221 176.221 174.193 2.028 19459 4447 1 7 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.175 -0.293 19459 4448 1 7 . 1 1 79 79 GLY H H 79 7.857 7.857 8.396 -0.539 19459 4449 1 7 . 1 1 80 80 ILE N N 80 109.131 109.131 115.786 -6.655 19459 4450 1 7 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.006 0.952 19459 4451 1 7 . 1 1 80 80 ILE C C 80 174.883 174.883 174.049 0.834 19459 4452 1 7 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.457 -0.800 19459 4453 1 7 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.763 2.949 19459 4454 1 7 . 1 1 80 80 ILE H H 80 8.076 8.076 7.910 0.166 19459 4455 1 7 . 1 1 81 81 GLN N N 81 116.732 116.732 119.351 -2.619 19459 4456 1 7 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.708 -0.042 19459 4457 1 7 . 1 1 81 81 GLN C C 81 172.989 172.989 173.972 -0.983 19459 4458 1 7 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.264 1.237 19459 4459 1 7 . 1 1 81 81 GLN CB C 81 30.674 30.674 33.262 -2.588 19459 4460 1 7 . 1 1 81 81 GLN H H 81 7.682 7.682 8.514 -0.832 19459 4461 1 7 . 1 1 82 82 PHE N N 82 119.773 119.773 121.309 -1.536 19459 4462 1 7 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.043 -0.163 19459 4463 1 7 . 1 1 82 82 PHE C C 82 173.680 173.680 176.421 -2.741 19459 4464 1 7 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.630 -0.945 19459 4465 1 7 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.275 0.844 19459 4466 1 7 . 1 1 82 82 PHE H H 82 8.615 8.615 8.626 -0.011 19459 4467 1 7 . 1 1 83 83 GLY N N 83 119.507 119.507 115.735 3.772 19459 4468 1 7 . 1 1 83 83 GLY C C 83 174.662 174.662 174.096 0.566 19459 4469 1 7 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.594 -0.103 19459 4470 1 7 . 1 1 83 83 GLY H H 83 9.086 9.086 8.304 0.782 19459 4471 1 7 . 1 1 84 84 SER N N 84 118.128 118.128 117.536 0.592 19459 4472 1 7 . 1 1 84 84 SER HA H 84 4.415 4.415 4.493 -0.078 19459 4473 1 7 . 1 1 84 84 SER C C 84 177.247 177.247 173.391 3.856 19459 4474 1 7 . 1 1 84 84 SER CA C 84 60.111 60.111 59.181 0.930 19459 4475 1 7 . 1 1 84 84 SER CB C 84 64.281 64.281 64.522 -0.241 19459 4476 1 7 . 1 1 84 84 SER H H 84 8.573 8.573 7.696 0.877 19459 4477 1 7 . 1 1 85 85 GLN N N 85 119.913 119.913 122.871 -2.958 19459 4478 1 7 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.858 -0.039 19459 4479 1 7 . 1 1 85 85 GLN C C 85 172.795 172.795 174.862 -2.067 19459 4480 1 7 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.151 0.014 19459 4481 1 7 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.693 0.051 19459 4482 1 7 . 1 1 85 85 GLN H H 85 8.211 8.211 8.513 -0.302 19459 4483 1 7 . 1 1 86 86 ILE N N 86 119.724 119.724 118.930 0.794 19459 4484 1 7 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.176 -0.419 19459 4485 1 7 . 1 1 86 86 ILE C C 86 174.969 174.969 173.770 1.199 19459 4486 1 7 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.475 1.352 19459 4487 1 7 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.828 -1.034 19459 4488 1 7 . 1 1 86 86 ILE H H 86 9.215 9.215 8.796 0.419 19459 4489 1 7 . 1 1 87 87 LYS N N 87 117.135 117.135 120.013 -2.878 19459 4490 1 7 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.318 -0.083 19459 4491 1 7 . 1 1 87 87 LYS C C 87 174.599 174.599 175.248 -0.649 19459 4492 1 7 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.875 -0.162 19459 4493 1 7 . 1 1 87 87 LYS CB C 87 36.827 36.827 35.303 1.524 19459 4494 1 7 . 1 1 87 87 LYS H H 87 7.600 7.600 8.404 -0.804 19459 4495 1 7 . 1 1 88 88 TYR N N 88 119.004 119.004 122.964 -3.960 19459 4496 1 7 . 1 1 88 88 TYR HA H 88 5.422 5.422 5.072 0.350 19459 4497 1 7 . 1 1 88 88 TYR C C 88 174.407 174.407 175.090 -0.683 19459 4498 1 7 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.451 -0.516 19459 4499 1 7 . 1 1 88 88 TYR CB C 88 43.959 43.959 41.378 2.581 19459 4500 1 7 . 1 1 88 88 TYR H H 88 8.601 8.601 9.332 -0.731 19459 4501 1 7 . 1 1 89 89 SER N N 89 113.228 113.228 117.040 -3.812 19459 4502 1 7 . 1 1 89 89 SER HA H 89 4.668 4.668 5.238 -0.570 19459 4503 1 7 . 1 1 89 89 SER C C 89 177.136 177.136 173.258 3.878 19459 4504 1 7 . 1 1 89 89 SER CA C 89 57.291 57.291 55.667 1.624 19459 4505 1 7 . 1 1 89 89 SER CB C 89 66.534 66.534 65.813 0.721 19459 4506 1 7 . 1 1 89 89 SER H H 89 9.007 9.007 9.125 -0.118 19459 4507 1 7 . 1 1 90 90 CYS N N 90 116.009 116.009 121.198 -5.189 19459 4508 1 7 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.382 1.039 19459 4509 1 7 . 1 1 90 90 CYS C C 90 173.812 173.812 173.410 0.402 19459 4510 1 7 . 1 1 90 90 CYS CA C 90 53.084 53.084 57.877 -4.793 19459 4511 1 7 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.555 12.849 19459 4512 1 7 . 1 1 90 90 CYS H H 90 8.806 8.806 8.415 0.391 19459 4513 1 7 . 1 1 91 91 THR N N 91 120.813 120.813 112.514 8.299 19459 4514 1 7 . 1 1 91 91 THR HA H 91 3.994 3.994 4.410 -0.416 19459 4515 1 7 . 1 1 91 91 THR C C 91 176.445 176.445 174.389 2.056 19459 4516 1 7 . 1 1 91 91 THR CA C 91 63.440 63.440 61.158 2.282 19459 4517 1 7 . 1 1 91 91 THR CB C 91 69.608 69.608 72.064 -2.456 19459 4518 1 7 . 1 1 91 91 THR H H 91 8.737 8.737 6.530 2.207 19459 4519 1 7 . 1 1 92 92 LYS N N 92 124.963 124.963 122.979 1.984 19459 4520 1 7 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.175 -0.071 19459 4521 1 7 . 1 1 92 92 LYS C C 92 172.310 172.310 177.987 -5.677 19459 4522 1 7 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.203 0.684 19459 4523 1 7 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.584 -0.445 19459 4524 1 7 . 1 1 92 92 LYS H H 92 8.325 8.325 8.497 -0.172 19459 4525 1 7 . 1 1 93 93 GLY N N 93 113.608 113.608 108.593 5.015 19459 4526 1 7 . 1 1 93 93 GLY C C 93 175.127 175.127 173.093 2.034 19459 4527 1 7 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.465 0.246 19459 4528 1 7 . 1 1 93 93 GLY H H 93 8.827 8.827 8.101 0.726 19459 4529 1 7 . 1 1 94 94 TYR N N 94 119.900 119.900 119.740 0.160 19459 4530 1 7 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.928 -0.286 19459 4531 1 7 . 1 1 94 94 TYR C C 94 174.548 174.548 173.320 1.228 19459 4532 1 7 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.665 1.493 19459 4533 1 7 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.109 0.085 19459 4534 1 7 . 1 1 94 94 TYR H H 94 8.281 8.281 7.545 0.736 19459 4535 1 7 . 1 1 95 95 ARG N N 95 122.431 122.431 121.621 0.810 19459 4536 1 7 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.101 0.427 19459 4537 1 7 . 1 1 95 95 ARG C C 95 175.179 175.179 174.029 1.150 19459 4538 1 7 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.502 0.051 19459 4539 1 7 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.970 -0.769 19459 4540 1 7 . 1 1 95 95 ARG H H 95 9.608 9.608 8.400 1.208 19459 4541 1 7 . 1 1 96 96 LEU N N 96 125.652 125.652 125.921 -0.269 19459 4542 1 7 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.553 0.110 19459 4543 1 7 . 1 1 96 96 LEU C C 96 172.420 172.420 176.486 -4.066 19459 4544 1 7 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.236 2.267 19459 4545 1 7 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.462 -0.656 19459 4546 1 7 . 1 1 96 96 LEU H H 96 8.231 8.231 8.285 -0.054 19459 4547 1 7 . 1 1 97 97 ILE N N 97 131.597 131.597 126.503 5.094 19459 4548 1 7 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.922 0.318 19459 4549 1 7 . 1 1 97 97 ILE C C 97 174.158 174.158 176.907 -2.749 19459 4550 1 7 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.572 -1.403 19459 4551 1 7 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.767 0.036 19459 4552 1 7 . 1 1 97 97 ILE H H 97 9.661 9.661 8.493 1.168 19459 4553 1 7 . 1 1 98 98 GLY N N 98 116.731 116.731 108.080 8.651 19459 4554 1 7 . 1 1 98 98 GLY C C 98 176.923 176.923 174.061 2.862 19459 4555 1 7 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.218 -1.153 19459 4556 1 7 . 1 1 98 98 GLY H H 98 8.465 8.465 7.864 0.601 19459 4557 1 7 . 1 1 99 99 SER N N 99 116.632 116.632 116.642 -0.010 19459 4558 1 7 . 1 1 99 99 SER HA H 99 4.509 4.509 4.492 0.017 19459 4559 1 7 . 1 1 99 99 SER C C 99 175.013 175.013 174.174 0.839 19459 4560 1 7 . 1 1 99 99 SER CA C 99 58.328 58.328 58.334 -0.006 19459 4561 1 7 . 1 1 99 99 SER CB C 99 63.996 63.996 63.065 0.931 19459 4562 1 7 . 1 1 99 99 SER H H 99 8.759 8.759 8.511 0.248 19459 4563 1 7 . 1 1 100 100 SER N N 100 116.696 116.696 118.570 -1.874 19459 4564 1 7 . 1 1 100 100 SER HA H 100 4.447 4.447 4.400 0.047 19459 4565 1 7 . 1 1 100 100 SER C C 100 175.403 175.403 174.540 0.863 19459 4566 1 7 . 1 1 100 100 SER CA C 100 59.209 59.209 59.935 -0.726 19459 4567 1 7 . 1 1 100 100 SER CB C 100 64.035 64.035 63.660 0.375 19459 4568 1 7 . 1 1 100 100 SER H H 100 8.617 8.617 8.673 -0.056 19459 4569 1 7 . 1 1 101 101 SER N N 101 115.247 115.247 112.271 2.976 19459 4570 1 7 . 1 1 101 101 SER HA H 101 5.346 5.346 5.619 -0.273 19459 4571 1 7 . 1 1 101 101 SER C C 101 176.888 176.888 172.888 4.000 19459 4572 1 7 . 1 1 101 101 SER CA C 101 57.021 57.021 56.871 0.150 19459 4573 1 7 . 1 1 101 101 SER CB C 101 66.391 66.391 66.925 -0.534 19459 4574 1 7 . 1 1 101 101 SER H H 101 7.952 7.952 7.551 0.401 19459 4575 1 7 . 1 1 102 102 ALA N N 102 121.438 121.438 121.466 -0.028 19459 4576 1 7 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.095 -0.008 19459 4577 1 7 . 1 1 102 102 ALA C C 102 173.807 173.807 175.748 -1.941 19459 4578 1 7 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.376 0.447 19459 4579 1 7 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.676 1.395 19459 4580 1 7 . 1 1 102 102 ALA H H 102 8.286 8.286 8.415 -0.129 19459 4581 1 7 . 1 1 103 103 THR N N 103 118.007 118.007 117.991 0.016 19459 4582 1 7 . 1 1 103 103 THR HA H 103 5.560 5.560 5.424 0.136 19459 4583 1 7 . 1 1 103 103 THR C C 103 176.159 176.159 173.915 2.244 19459 4584 1 7 . 1 1 103 103 THR CA C 103 61.342 61.342 61.857 -0.515 19459 4585 1 7 . 1 1 103 103 THR CB C 103 71.171 71.171 70.901 0.270 19459 4586 1 7 . 1 1 103 103 THR H H 103 9.636 9.636 9.543 0.093 19459 4587 1 7 . 1 1 104 104 CYS N N 104 127.602 127.602 128.495 -0.893 19459 4588 1 7 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.516 -0.150 19459 4589 1 7 . 1 1 104 104 CYS C C 104 174.892 174.892 173.523 1.369 19459 4590 1 7 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.956 -2.477 19459 4591 1 7 . 1 1 104 104 CYS CB C 104 39.185 39.185 25.951 13.233 19459 4592 1 7 . 1 1 104 104 CYS H H 104 8.338 8.338 8.840 -0.502 19459 4593 1 7 . 1 1 105 105 ILE N N 105 126.775 126.775 123.194 3.581 19459 4594 1 7 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.053 -0.144 19459 4595 1 7 . 1 1 105 105 ILE C C 105 174.390 174.390 173.419 0.971 19459 4596 1 7 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.127 1.094 19459 4597 1 7 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.965 0.557 19459 4598 1 7 . 1 1 105 105 ILE H H 105 9.375 9.375 8.874 0.501 19459 4599 1 7 . 1 1 106 106 ILE N N 106 118.256 118.256 120.936 -2.680 19459 4600 1 7 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.264 -0.194 19459 4601 1 7 . 1 1 106 106 ILE C C 106 172.560 172.560 176.629 -4.069 19459 4602 1 7 . 1 1 106 106 ILE CA C 106 61.889 61.889 59.986 1.903 19459 4603 1 7 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.355 3.330 19459 4604 1 7 . 1 1 106 106 ILE H H 106 8.041 8.041 8.404 -0.363 19459 4605 1 7 . 1 1 107 107 SER N N 107 120.167 120.167 121.074 -0.907 19459 4606 1 7 . 1 1 107 107 SER HA H 107 4.376 4.376 4.451 -0.075 19459 4607 1 7 . 1 1 107 107 SER C C 107 174.594 174.594 175.181 -0.587 19459 4608 1 7 . 1 1 107 107 SER CA C 107 57.111 57.111 59.031 -1.920 19459 4609 1 7 . 1 1 107 107 SER CB C 107 63.835 63.835 64.558 -0.723 19459 4610 1 7 . 1 1 107 107 SER H H 107 8.013 8.013 8.953 -0.940 19459 4611 1 7 . 1 1 108 108 GLY N N 108 119.089 119.089 110.558 8.531 19459 4612 1 7 . 1 1 108 108 GLY C C 108 174.665 174.665 173.689 0.976 19459 4613 1 7 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.056 2.432 19459 4614 1 7 . 1 1 108 108 GLY H H 108 9.116 9.116 7.556 1.560 19459 4615 1 7 . 1 1 109 109 ASP N N 109 127.143 127.143 124.954 2.189 19459 4616 1 7 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.565 0.196 19459 4617 1 7 . 1 1 109 109 ASP C C 109 173.724 173.724 175.632 -1.908 19459 4618 1 7 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.762 -2.039 19459 4619 1 7 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.486 -0.254 19459 4620 1 7 . 1 1 109 109 ASP H H 109 8.845 8.845 8.607 0.238 19459 4621 1 7 . 1 1 110 110 THR N N 110 115.044 115.044 110.290 4.754 19459 4622 1 7 . 1 1 110 110 THR HA H 110 4.663 4.663 4.514 0.149 19459 4623 1 7 . 1 1 110 110 THR C C 110 175.636 175.636 172.356 3.280 19459 4624 1 7 . 1 1 110 110 THR CA C 110 58.612 58.612 60.608 -1.996 19459 4625 1 7 . 1 1 110 110 THR CB C 110 71.146 71.146 70.205 0.941 19459 4626 1 7 . 1 1 110 110 THR H H 110 8.134 8.134 7.217 0.917 19459 4627 1 7 . 1 1 111 111 VAL N N 111 115.728 115.728 119.902 -4.174 19459 4628 1 7 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.819 0.496 19459 4629 1 7 . 1 1 111 111 VAL C C 111 174.752 174.752 173.681 1.071 19459 4630 1 7 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.662 -1.021 19459 4631 1 7 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.520 1.304 19459 4632 1 7 . 1 1 111 111 VAL H H 111 8.310 8.310 8.473 -0.163 19459 4633 1 7 . 1 1 112 112 ILE N N 112 117.116 117.116 125.395 -8.279 19459 4634 1 7 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.542 -0.036 19459 4635 1 7 . 1 1 112 112 ILE C C 112 174.637 174.637 174.227 0.410 19459 4636 1 7 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.168 0.327 19459 4637 1 7 . 1 1 112 112 ILE CB C 112 43.191 43.191 42.853 0.338 19459 4638 1 7 . 1 1 112 112 ILE H H 112 8.945 8.945 8.898 0.047 19459 4639 1 7 . 1 1 113 113 TRP N N 113 121.755 121.755 127.421 -5.666 19459 4640 1 7 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.956 0.151 19459 4641 1 7 . 1 1 113 113 TRP C C 113 170.413 170.413 176.514 -6.101 19459 4642 1 7 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.798 -0.422 19459 4643 1 7 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.253 0.043 19459 4644 1 7 . 1 1 113 113 TRP H H 113 7.567 7.567 8.600 -1.033 19459 4645 1 7 . 1 1 114 114 ASP N N 114 123.286 123.286 119.932 3.354 19459 4646 1 7 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.531 -0.324 19459 4647 1 7 . 1 1 114 114 ASP C C 114 174.083 174.083 175.935 -1.852 19459 4648 1 7 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.703 0.698 19459 4649 1 7 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.385 -0.236 19459 4650 1 7 . 1 1 114 114 ASP H H 114 9.451 9.451 8.521 0.930 19459 4651 1 7 . 1 1 115 115 GLN N N 115 116.139 116.139 118.136 -1.997 19459 4652 1 7 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.141 0.604 19459 4653 1 7 . 1 1 115 115 GLN C C 115 173.639 173.639 175.965 -2.326 19459 4654 1 7 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.124 -2.941 19459 4655 1 7 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.485 2.838 19459 4656 1 7 . 1 1 115 115 GLN H H 115 7.305 7.305 7.536 -0.231 19459 4657 1 7 . 1 1 116 116 GLU N N 116 120.881 120.881 121.331 -0.450 19459 4658 1 7 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.167 0.163 19459 4659 1 7 . 1 1 116 116 GLU C C 116 173.578 173.578 176.774 -3.196 19459 4660 1 7 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.266 -3.109 19459 4661 1 7 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.167 0.048 19459 4662 1 7 . 1 1 116 116 GLU H H 116 8.615 8.615 8.817 -0.202 19459 4663 1 7 . 1 1 117 117 THR N N 117 119.889 119.889 109.592 10.297 19459 4664 1 7 . 1 1 117 117 THR HA H 117 3.609 3.609 4.341 -0.732 19459 4665 1 7 . 1 1 117 117 THR C C 117 176.699 176.699 171.681 5.018 19459 4666 1 7 . 1 1 117 117 THR CA C 117 61.757 61.757 60.515 1.242 19459 4667 1 7 . 1 1 117 117 THR CB C 117 69.799 69.799 69.801 -0.002 19459 4668 1 7 . 1 1 117 117 THR H H 117 8.075 8.075 7.421 0.654 19459 4669 1 7 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.310 0.222 19459 4670 1 7 . 1 1 118 118 PRO C C 118 175.300 175.300 175.760 -0.460 19459 4671 1 7 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.846 -0.486 19459 4672 1 7 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.194 0.694 19459 4673 1 7 . 1 1 119 119 ILE N N 119 114.729 114.729 122.884 -8.155 19459 4674 1 7 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.302 -0.015 19459 4675 1 7 . 1 1 119 119 ILE C C 119 174.748 174.748 174.781 -0.033 19459 4676 1 7 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.681 -1.439 19459 4677 1 7 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.914 -0.730 19459 4678 1 7 . 1 1 119 119 ILE H H 119 7.874 7.874 7.827 0.047 19459 4679 1 7 . 1 1 120 120 CYS N N 120 123.444 123.444 125.931 -2.487 19459 4680 1 7 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.909 0.641 19459 4681 1 7 . 1 1 120 120 CYS C C 120 175.583 175.583 174.675 0.908 19459 4682 1 7 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.147 -4.453 19459 4683 1 7 . 1 1 120 120 CYS CB C 120 41.450 41.450 29.080 12.370 19459 4684 1 7 . 1 1 120 120 CYS H H 120 8.583 8.583 8.657 -0.074 19459 4685 1 7 . 1 1 121 121 ASP N N 121 124.459 124.459 125.038 -0.579 19459 4686 1 7 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.419 0.888 19459 4687 1 7 . 1 1 121 121 ASP C C 121 174.495 174.495 176.472 -1.977 19459 4688 1 7 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.877 -3.660 19459 4689 1 7 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.609 2.794 19459 4690 1 7 . 1 1 121 121 ASP H H 121 9.309 9.309 9.010 0.299 19459 4691 1 8 . 1 1 2 2 CYS N N 2 117.967 117.967 117.845 0.122 19459 4692 1 8 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.663 -0.136 19459 4693 1 8 . 1 1 2 2 CYS C C 2 174.023 174.023 175.457 -1.434 19459 4694 1 8 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.687 -0.715 19459 4695 1 8 . 1 1 2 2 CYS CB C 2 45.059 45.059 26.990 18.069 19459 4696 1 8 . 1 1 2 2 CYS H H 2 9.327 9.327 8.306 1.021 19459 4697 1 8 . 1 1 3 3 ASN N N 3 119.722 119.722 116.419 3.303 19459 4698 1 8 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.332 0.917 19459 4699 1 8 . 1 1 3 3 ASN C C 3 175.027 175.027 174.442 0.585 19459 4700 1 8 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.619 -1.106 19459 4701 1 8 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.372 2.271 19459 4702 1 8 . 1 1 3 3 ASN H H 3 8.686 8.686 8.406 0.280 19459 4703 1 8 . 1 1 4 4 ALA N N 4 122.403 122.403 118.380 4.023 19459 4704 1 8 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.650 -0.221 19459 4705 1 8 . 1 1 4 4 ALA C C 4 173.517 173.517 175.580 -2.063 19459 4706 1 8 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.655 -0.842 19459 4707 1 8 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.863 -1.876 19459 4708 1 8 . 1 1 4 4 ALA H H 4 8.401 8.401 7.964 0.437 19459 4709 1 8 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.631 -0.723 19459 4710 1 8 . 1 1 5 5 PRO C C 5 172.806 172.806 176.769 -3.963 19459 4711 1 8 . 1 1 5 5 PRO CA C 5 62.451 62.451 62.470 -0.019 19459 4712 1 8 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.213 -0.661 19459 4713 1 8 . 1 1 6 6 GLU N N 6 121.296 121.296 121.340 -0.044 19459 4714 1 8 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.225 -0.034 19459 4715 1 8 . 1 1 6 6 GLU C C 6 172.835 172.835 176.177 -3.342 19459 4716 1 8 . 1 1 6 6 GLU CA C 6 56.175 56.175 56.023 0.152 19459 4717 1 8 . 1 1 6 6 GLU CB C 6 29.964 29.964 30.290 -0.326 19459 4718 1 8 . 1 1 6 6 GLU H H 6 8.443 8.443 8.445 -0.002 19459 4719 1 8 . 1 1 7 7 TRP N N 7 124.746 124.746 125.409 -0.663 19459 4720 1 8 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.577 -0.645 19459 4721 1 8 . 1 1 7 7 TRP C C 7 174.236 174.236 175.081 -0.845 19459 4722 1 8 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.814 2.098 19459 4723 1 8 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.815 -0.782 19459 4724 1 8 . 1 1 7 7 TRP H H 7 8.674 8.674 8.534 0.140 19459 4725 1 8 . 1 1 8 8 LEU N N 8 125.782 125.782 131.487 -5.705 19459 4726 1 8 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.279 0.277 19459 4727 1 8 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.069 -0.104 19459 4728 1 8 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.825 -0.932 19459 4729 1 8 . 1 1 8 8 LEU H H 8 7.922 7.922 7.709 0.213 19459 4730 1 8 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.548 0.050 19459 4731 1 8 . 1 1 9 9 PRO C C 9 172.961 172.961 177.120 -4.159 19459 4732 1 8 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.997 -0.457 19459 4733 1 8 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.635 -0.198 19459 4734 1 8 . 1 1 10 10 PHE N N 10 106.863 106.863 116.363 -9.500 19459 4735 1 8 . 1 1 10 10 PHE HA H 10 3.609 3.609 3.821 -0.212 19459 4736 1 8 . 1 1 10 10 PHE C C 10 175.535 175.535 175.203 0.332 19459 4737 1 8 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.190 -3.333 19459 4738 1 8 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.726 3.049 19459 4739 1 8 . 1 1 10 10 PHE H H 10 5.588 5.588 7.378 -1.790 19459 4740 1 8 . 1 1 11 11 ALA N N 11 121.214 121.214 118.236 2.978 19459 4741 1 8 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.267 -0.124 19459 4742 1 8 . 1 1 11 11 ALA C C 11 175.918 175.918 176.376 -0.458 19459 4743 1 8 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.422 1.446 19459 4744 1 8 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.504 3.226 19459 4745 1 8 . 1 1 11 11 ALA H H 11 6.349 6.349 7.046 -0.697 19459 4746 1 8 . 1 1 12 12 ARG N N 12 117.160 117.160 120.300 -3.140 19459 4747 1 8 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.752 -0.055 19459 4748 1 8 . 1 1 12 12 ARG C C 12 178.499 178.499 173.547 4.952 19459 4749 1 8 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.124 0.741 19459 4750 1 8 . 1 1 12 12 ARG H H 12 9.219 9.219 8.190 1.029 19459 4751 1 8 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.799 -1.130 19459 4752 1 8 . 1 1 13 13 PRO C C 13 171.555 171.555 177.034 -5.479 19459 4753 1 8 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.371 -0.990 19459 4754 1 8 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.569 -1.021 19459 4755 1 8 . 1 1 14 14 THR N N 14 112.823 112.823 115.076 -2.253 19459 4756 1 8 . 1 1 14 14 THR HA H 14 3.905 3.905 4.325 -0.420 19459 4757 1 8 . 1 1 14 14 THR C C 14 174.364 174.364 174.789 -0.425 19459 4758 1 8 . 1 1 14 14 THR CA C 14 63.180 63.180 62.802 0.378 19459 4759 1 8 . 1 1 14 14 THR CB C 14 68.154 68.154 68.811 -0.657 19459 4760 1 8 . 1 1 14 14 THR H H 14 8.062 8.062 8.511 -0.449 19459 4761 1 8 . 1 1 15 15 GLN N N 15 119.736 119.736 118.703 1.033 19459 4762 1 8 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.418 0.083 19459 4763 1 8 . 1 1 15 15 GLN C C 15 174.815 174.815 176.414 -1.599 19459 4764 1 8 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.425 -3.058 19459 4765 1 8 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.432 1.684 19459 4766 1 8 . 1 1 15 15 GLN H H 15 7.758 7.758 7.964 -0.206 19459 4767 1 8 . 1 1 16 16 LEU N N 16 124.583 124.583 120.427 4.156 19459 4768 1 8 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.127 0.234 19459 4769 1 8 . 1 1 16 16 LEU C C 16 172.167 172.167 177.594 -5.427 19459 4770 1 8 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.299 -2.002 19459 4771 1 8 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.764 0.270 19459 4772 1 8 . 1 1 16 16 LEU H H 16 8.458 8.458 8.209 0.249 19459 4773 1 8 . 1 1 17 17 THR N N 17 116.730 116.730 110.657 6.073 19459 4774 1 8 . 1 1 17 17 THR HA H 17 4.633 4.633 3.885 0.748 19459 4775 1 8 . 1 1 17 17 THR C C 17 175.703 175.703 175.421 0.282 19459 4776 1 8 . 1 1 17 17 THR CA C 17 60.358 60.358 64.744 -4.386 19459 4777 1 8 . 1 1 17 17 THR CB C 17 70.110 70.110 68.813 1.297 19459 4778 1 8 . 1 1 17 17 THR H H 17 8.325 8.325 8.080 0.245 19459 4779 1 8 . 1 1 18 18 ASP N N 18 122.839 122.839 117.982 4.857 19459 4780 1 8 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.749 -0.007 19459 4781 1 8 . 1 1 18 18 ASP C C 18 173.642 173.642 175.788 -2.146 19459 4782 1 8 . 1 1 18 18 ASP CA C 18 53.213 53.213 53.789 -0.577 19459 4783 1 8 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.825 -1.903 19459 4784 1 8 . 1 1 18 18 ASP H H 18 8.487 8.487 7.696 0.791 19459 4785 1 8 . 1 1 19 19 GLU N N 19 120.523 120.523 119.017 1.506 19459 4786 1 8 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.361 -0.288 19459 4787 1 8 . 1 1 19 19 GLU C C 19 174.249 174.249 176.024 -1.775 19459 4788 1 8 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.706 1.444 19459 4789 1 8 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.925 -0.582 19459 4790 1 8 . 1 1 19 19 GLU H H 19 7.931 7.931 7.278 0.653 19459 4791 1 8 . 1 1 20 20 PHE N N 20 118.500 118.500 119.763 -1.263 19459 4792 1 8 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.354 0.392 19459 4793 1 8 . 1 1 20 20 PHE C C 20 174.885 174.885 176.317 -1.432 19459 4794 1 8 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.477 -3.963 19459 4795 1 8 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.490 0.993 19459 4796 1 8 . 1 1 20 20 PHE H H 20 8.279 8.279 8.334 -0.055 19459 4797 1 8 . 1 1 21 21 GLU N N 21 117.080 117.080 117.661 -0.581 19459 4798 1 8 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.561 0.449 19459 4799 1 8 . 1 1 21 21 GLU C C 21 174.900 174.900 174.811 0.089 19459 4800 1 8 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.724 -1.450 19459 4801 1 8 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.584 -0.211 19459 4802 1 8 . 1 1 21 21 GLU H H 21 7.022 7.022 7.874 -0.852 19459 4803 1 8 . 1 1 22 22 PHE N N 22 119.655 119.655 121.055 -1.400 19459 4804 1 8 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.876 0.093 19459 4805 1 8 . 1 1 22 22 PHE C C 22 176.708 176.708 173.002 3.706 19459 4806 1 8 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.448 -0.672 19459 4807 1 8 . 1 1 22 22 PHE CB C 22 41.746 41.746 41.768 -0.022 19459 4808 1 8 . 1 1 22 22 PHE H H 22 8.974 8.974 7.766 1.208 19459 4809 1 8 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.689 -0.101 19459 4810 1 8 . 1 1 23 23 PRO C C 23 171.163 171.163 176.653 -5.490 19459 4811 1 8 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.111 0.306 19459 4812 1 8 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.694 -0.039 19459 4813 1 8 . 1 1 24 24 ILE N N 24 123.238 123.238 119.436 3.802 19459 4814 1 8 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.974 -0.564 19459 4815 1 8 . 1 1 24 24 ILE C C 24 172.283 172.283 177.591 -5.308 19459 4816 1 8 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.683 1.363 19459 4817 1 8 . 1 1 24 24 ILE CB C 24 37.449 37.449 38.061 -0.612 19459 4818 1 8 . 1 1 24 24 ILE H H 24 8.199 8.199 8.426 -0.227 19459 4819 1 8 . 1 1 25 25 GLY N N 25 115.962 115.962 115.041 0.921 19459 4820 1 8 . 1 1 25 25 GLY C C 25 174.927 174.927 174.165 0.762 19459 4821 1 8 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.724 -0.301 19459 4822 1 8 . 1 1 25 25 GLY H H 25 9.061 9.061 8.520 0.541 19459 4823 1 8 . 1 1 26 26 THR N N 26 117.152 117.152 118.598 -1.446 19459 4824 1 8 . 1 1 26 26 THR HA H 26 4.081 4.081 4.431 -0.350 19459 4825 1 8 . 1 1 26 26 THR C C 26 176.723 176.723 173.475 3.248 19459 4826 1 8 . 1 1 26 26 THR CA C 26 65.711 65.711 62.394 3.317 19459 4827 1 8 . 1 1 26 26 THR CB C 26 70.084 70.084 69.729 0.355 19459 4828 1 8 . 1 1 26 26 THR H H 26 7.704 7.704 7.326 0.378 19459 4829 1 8 . 1 1 27 27 TYR N N 27 125.094 125.094 126.163 -1.069 19459 4830 1 8 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.794 0.998 19459 4831 1 8 . 1 1 27 27 TYR C C 27 173.835 173.835 175.677 -1.842 19459 4832 1 8 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.529 -1.666 19459 4833 1 8 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.367 1.509 19459 4834 1 8 . 1 1 27 27 TYR H H 27 8.542 8.542 8.736 -0.194 19459 4835 1 8 . 1 1 28 28 LEU N N 28 120.714 120.714 124.409 -3.695 19459 4836 1 8 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.368 0.416 19459 4837 1 8 . 1 1 28 28 LEU C C 28 172.808 172.808 176.216 -3.408 19459 4838 1 8 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.860 -0.677 19459 4839 1 8 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.366 2.572 19459 4840 1 8 . 1 1 28 28 LEU H H 28 9.000 9.000 8.098 0.902 19459 4841 1 8 . 1 1 29 29 ASN N N 29 121.617 121.617 120.679 0.938 19459 4842 1 8 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.702 0.198 19459 4843 1 8 . 1 1 29 29 ASN C C 29 174.783 174.783 173.984 0.799 19459 4844 1 8 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.181 2.051 19459 4845 1 8 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.335 0.856 19459 4846 1 8 . 1 1 29 29 ASN H H 29 8.544 8.544 8.587 -0.043 19459 4847 1 8 . 1 1 30 30 TYR N N 30 126.738 126.738 122.991 3.747 19459 4848 1 8 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.629 0.057 19459 4849 1 8 . 1 1 30 30 TYR C C 30 174.911 174.911 174.981 -0.070 19459 4850 1 8 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.630 0.271 19459 4851 1 8 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.255 4.587 19459 4852 1 8 . 1 1 30 30 TYR H H 30 9.324 9.324 7.918 1.406 19459 4853 1 8 . 1 1 31 31 GLU N N 31 114.116 114.116 122.868 -8.752 19459 4854 1 8 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.606 0.104 19459 4855 1 8 . 1 1 31 31 GLU C C 31 173.694 173.694 174.490 -0.796 19459 4856 1 8 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.573 -1.454 19459 4857 1 8 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.603 0.023 19459 4858 1 8 . 1 1 31 31 GLU H H 31 8.553 8.553 8.494 0.059 19459 4859 1 8 . 1 1 32 32 CYS N N 32 121.086 121.086 124.176 -3.090 19459 4860 1 8 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.182 -0.131 19459 4861 1 8 . 1 1 32 32 CYS C C 32 173.553 173.553 175.598 -2.045 19459 4862 1 8 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.193 -3.713 19459 4863 1 8 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.409 9.078 19459 4864 1 8 . 1 1 32 32 CYS H H 32 9.784 9.784 8.932 0.852 19459 4865 1 8 . 1 1 33 33 ARG N N 33 123.418 123.418 123.710 -0.292 19459 4866 1 8 . 1 1 33 33 ARG C C 33 176.822 176.822 174.628 2.194 19459 4867 1 8 . 1 1 33 33 ARG CA C 33 56.311 56.311 54.550 1.761 19459 4868 1 8 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.603 -0.260 19459 4869 1 8 . 1 1 33 33 ARG H H 33 7.898 7.898 8.295 -0.397 19459 4870 1 8 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.308 0.072 19459 4871 1 8 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.592 0.463 19459 4872 1 8 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.943 -0.608 19459 4873 1 8 . 1 1 35 35 GLY N N 35 111.039 111.039 108.881 2.158 19459 4874 1 8 . 1 1 35 35 GLY C C 35 177.546 177.546 173.267 4.279 19459 4875 1 8 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.903 -1.004 19459 4876 1 8 . 1 1 35 35 GLY H H 35 8.378 8.378 8.464 -0.086 19459 4877 1 8 . 1 1 36 36 TYR N N 36 116.682 116.682 118.722 -2.040 19459 4878 1 8 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.092 -0.071 19459 4879 1 8 . 1 1 36 36 TYR C C 36 174.005 174.005 175.215 -1.210 19459 4880 1 8 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.537 -0.042 19459 4881 1 8 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.402 1.579 19459 4882 1 8 . 1 1 36 36 TYR H H 36 8.175 8.175 7.272 0.903 19459 4883 1 8 . 1 1 37 37 SER N N 37 115.855 115.855 119.647 -3.792 19459 4884 1 8 . 1 1 37 37 SER HA H 37 4.819 4.819 4.248 0.571 19459 4885 1 8 . 1 1 37 37 SER C C 37 175.442 175.442 175.159 0.283 19459 4886 1 8 . 1 1 37 37 SER CA C 37 56.534 56.534 60.622 -4.088 19459 4887 1 8 . 1 1 37 37 SER CB C 37 65.642 65.642 63.874 1.768 19459 4888 1 8 . 1 1 37 37 SER H H 37 9.711 9.711 8.725 0.986 19459 4889 1 8 . 1 1 38 38 GLY N N 38 113.435 113.435 109.173 4.262 19459 4890 1 8 . 1 1 38 38 GLY C C 38 175.876 175.876 173.723 2.153 19459 4891 1 8 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.545 0.723 19459 4892 1 8 . 1 1 38 38 GLY H H 38 8.288 8.288 7.780 0.508 19459 4893 1 8 . 1 1 39 39 ARG N N 39 124.199 124.199 121.728 2.471 19459 4894 1 8 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.702 0.037 19459 4895 1 8 . 1 1 39 39 ARG C C 39 175.413 175.413 174.164 1.249 19459 4896 1 8 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.988 1.752 19459 4897 1 8 . 1 1 39 39 ARG CB C 39 29.634 29.634 31.714 -2.080 19459 4898 1 8 . 1 1 39 39 ARG H H 39 8.350 8.350 8.386 -0.036 19459 4899 1 8 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.457 0.201 19459 4900 1 8 . 1 1 40 40 PRO C C 40 173.702 173.702 175.598 -1.896 19459 4901 1 8 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.249 1.221 19459 4902 1 8 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.202 -0.014 19459 4903 1 8 . 1 1 41 41 PHE N N 41 118.388 118.388 121.305 -2.917 19459 4904 1 8 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.761 0.402 19459 4905 1 8 . 1 1 41 41 PHE C C 41 176.886 176.886 175.020 1.866 19459 4906 1 8 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.532 0.034 19459 4907 1 8 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.205 0.059 19459 4908 1 8 . 1 1 41 41 PHE H H 41 8.017 8.017 7.998 0.019 19459 4909 1 8 . 1 1 42 42 SER N N 42 114.056 114.056 119.977 -5.921 19459 4910 1 8 . 1 1 42 42 SER HA H 42 5.771 5.771 4.415 1.356 19459 4911 1 8 . 1 1 42 42 SER C C 42 174.978 174.978 173.772 1.206 19459 4912 1 8 . 1 1 42 42 SER CA C 42 56.668 56.668 58.615 -1.947 19459 4913 1 8 . 1 1 42 42 SER CB C 42 66.152 66.152 63.362 2.790 19459 4914 1 8 . 1 1 42 42 SER H H 42 8.540 8.540 7.300 1.240 19459 4915 1 8 . 1 1 43 43 ILE N N 43 115.669 115.669 118.675 -3.006 19459 4916 1 8 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.284 0.781 19459 4917 1 8 . 1 1 43 43 ILE C C 43 174.535 174.535 174.817 -0.282 19459 4918 1 8 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.380 -0.336 19459 4919 1 8 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.903 1.452 19459 4920 1 8 . 1 1 43 43 ILE H H 43 8.637 8.637 7.691 0.946 19459 4921 1 8 . 1 1 44 44 ILE N N 44 120.215 120.215 125.642 -5.427 19459 4922 1 8 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.105 0.181 19459 4923 1 8 . 1 1 44 44 ILE C C 44 174.033 174.033 177.039 -3.006 19459 4924 1 8 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.931 0.725 19459 4925 1 8 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.874 2.456 19459 4926 1 8 . 1 1 44 44 ILE H H 44 8.687 8.687 7.760 0.927 19459 4927 1 8 . 1 1 45 45 CYS N N 45 126.257 126.257 127.246 -0.989 19459 4928 1 8 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.941 -0.189 19459 4929 1 8 . 1 1 45 45 CYS C C 45 174.946 174.946 175.238 -0.292 19459 4930 1 8 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.345 -5.279 19459 4931 1 8 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.804 14.807 19459 4932 1 8 . 1 1 45 45 CYS H H 45 7.993 7.993 8.744 -0.751 19459 4933 1 8 . 1 1 46 46 LEU N N 46 132.514 132.514 124.780 7.734 19459 4934 1 8 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.334 0.082 19459 4935 1 8 . 1 1 46 46 LEU C C 46 172.195 172.195 177.555 -5.360 19459 4936 1 8 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.402 -2.058 19459 4937 1 8 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.517 1.687 19459 4938 1 8 . 1 1 46 46 LEU H H 46 8.826 8.826 8.290 0.536 19459 4939 1 8 . 1 1 47 47 LYS N N 47 115.254 115.254 120.507 -5.253 19459 4940 1 8 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.262 -0.274 19459 4941 1 8 . 1 1 47 47 LYS C C 47 173.781 173.781 176.209 -2.428 19459 4942 1 8 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.922 2.061 19459 4943 1 8 . 1 1 47 47 LYS CB C 47 31.208 31.208 31.704 -0.496 19459 4944 1 8 . 1 1 47 47 LYS H H 47 7.949 7.949 7.806 0.143 19459 4945 1 8 . 1 1 48 48 ASN N N 48 115.283 115.283 123.008 -7.725 19459 4946 1 8 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.289 0.247 19459 4947 1 8 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.123 -0.583 19459 4948 1 8 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.588 -1.216 19459 4949 1 8 . 1 1 48 48 ASN H H 48 8.432 8.432 9.185 -0.753 19459 4950 1 8 . 1 1 49 49 SER N N 49 110.595 110.595 106.332 4.263 19459 4951 1 8 . 1 1 49 49 SER HA H 49 3.969 3.969 3.870 0.099 19459 4952 1 8 . 1 1 49 49 SER CA C 49 59.790 59.790 59.906 -0.116 19459 4953 1 8 . 1 1 49 49 SER CB C 49 60.870 60.870 61.373 -0.503 19459 4954 1 8 . 1 1 49 49 SER H H 49 8.457 8.457 7.700 0.757 19459 4955 1 8 . 1 1 50 50 VAL N N 50 117.680 117.680 118.192 -0.512 19459 4956 1 8 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.671 0.662 19459 4957 1 8 . 1 1 50 50 VAL C C 50 175.347 175.347 175.932 -0.585 19459 4958 1 8 . 1 1 50 50 VAL CA C 50 59.884 59.884 65.871 -5.987 19459 4959 1 8 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.120 2.717 19459 4960 1 8 . 1 1 50 50 VAL H H 50 6.840 6.840 7.929 -1.089 19459 4961 1 8 . 1 1 51 51 TRP N N 51 123.510 123.510 113.688 9.822 19459 4962 1 8 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.668 0.654 19459 4963 1 8 . 1 1 51 51 TRP C C 51 170.736 170.736 175.961 -5.225 19459 4964 1 8 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.841 -0.904 19459 4965 1 8 . 1 1 51 51 TRP CB C 51 30.791 30.791 29.965 0.826 19459 4966 1 8 . 1 1 51 51 TRP H H 51 8.310 8.310 7.243 1.067 19459 4967 1 8 . 1 1 52 52 THR N N 52 115.962 115.962 113.983 1.979 19459 4968 1 8 . 1 1 52 52 THR HA H 52 4.656 4.656 4.410 0.246 19459 4969 1 8 . 1 1 52 52 THR C C 52 175.780 175.780 175.727 0.053 19459 4970 1 8 . 1 1 52 52 THR CA C 52 61.376 61.376 61.785 -0.409 19459 4971 1 8 . 1 1 52 52 THR CB C 52 70.723 70.723 69.472 1.252 19459 4972 1 8 . 1 1 52 52 THR H H 52 9.026 9.026 8.738 0.288 19459 4973 1 8 . 1 1 53 53 GLY N N 53 108.521 108.521 109.146 -0.625 19459 4974 1 8 . 1 1 53 53 GLY C C 53 174.881 174.881 173.951 0.930 19459 4975 1 8 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.710 0.634 19459 4976 1 8 . 1 1 53 53 GLY H H 53 8.292 8.292 7.941 0.351 19459 4977 1 8 . 1 1 54 54 ALA N N 54 121.857 121.857 122.574 -0.717 19459 4978 1 8 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.853 0.300 19459 4979 1 8 . 1 1 54 54 ALA C C 54 172.786 172.786 175.658 -2.872 19459 4980 1 8 . 1 1 54 54 ALA CA C 54 51.697 51.697 53.230 -1.533 19459 4981 1 8 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.506 2.208 19459 4982 1 8 . 1 1 54 54 ALA H H 54 8.443 8.443 8.207 0.236 19459 4983 1 8 . 1 1 55 55 LYS N N 55 118.318 118.318 117.431 0.887 19459 4984 1 8 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.423 -0.679 19459 4985 1 8 . 1 1 55 55 LYS C C 55 172.519 172.519 175.829 -3.310 19459 4986 1 8 . 1 1 55 55 LYS CA C 55 57.944 57.944 54.667 3.276 19459 4987 1 8 . 1 1 55 55 LYS CB C 55 32.632 32.632 35.014 -2.382 19459 4988 1 8 . 1 1 55 55 LYS H H 55 7.612 7.612 7.476 0.136 19459 4989 1 8 . 1 1 56 56 ASP N N 56 119.214 119.214 115.445 3.769 19459 4990 1 8 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.484 -0.367 19459 4991 1 8 . 1 1 56 56 ASP C C 56 173.700 173.700 176.506 -2.806 19459 4992 1 8 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.270 0.114 19459 4993 1 8 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.344 -0.174 19459 4994 1 8 . 1 1 56 56 ASP H H 56 8.555 8.555 8.820 -0.265 19459 4995 1 8 . 1 1 57 57 ARG N N 57 116.006 116.006 117.192 -1.186 19459 4996 1 8 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.138 -0.258 19459 4997 1 8 . 1 1 57 57 ARG C C 57 171.638 171.638 175.767 -4.129 19459 4998 1 8 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.289 -1.362 19459 4999 1 8 . 1 1 57 57 ARG CB C 57 32.157 32.157 29.933 2.224 19459 5000 1 8 . 1 1 57 57 ARG H H 57 7.352 7.352 8.567 -1.215 19459 5001 1 8 . 1 1 58 58 CYS N N 58 115.000 115.000 115.842 -0.842 19459 5002 1 8 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.463 1.111 19459 5003 1 8 . 1 1 58 58 CYS C C 58 175.576 175.576 172.958 2.618 19459 5004 1 8 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.687 -4.835 19459 5005 1 8 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.407 14.168 19459 5006 1 8 . 1 1 58 58 CYS H H 58 7.587 7.587 7.889 -0.302 19459 5007 1 8 . 1 1 59 59 ARG N N 59 123.440 123.440 121.256 2.184 19459 5008 1 8 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.626 0.134 19459 5009 1 8 . 1 1 59 59 ARG C C 59 173.566 173.566 175.409 -1.843 19459 5010 1 8 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.675 -0.436 19459 5011 1 8 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.503 -0.701 19459 5012 1 8 . 1 1 59 59 ARG H H 59 8.984 8.984 8.677 0.307 19459 5013 1 8 . 1 1 60 60 ARG N N 60 125.644 125.644 123.564 2.080 19459 5014 1 8 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.450 -0.799 19459 5015 1 8 . 1 1 60 60 ARG C C 60 172.119 172.119 176.193 -4.074 19459 5016 1 8 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.002 3.296 19459 5017 1 8 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.257 0.011 19459 5018 1 8 . 1 1 60 60 ARG H H 60 9.163 9.163 8.534 0.629 19459 5019 1 8 . 1 1 61 61 LYS N N 61 124.217 124.217 118.984 5.233 19459 5020 1 8 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.436 -0.319 19459 5021 1 8 . 1 1 61 61 LYS C C 61 173.791 173.791 175.694 -1.903 19459 5022 1 8 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.915 2.283 19459 5023 1 8 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.561 0.653 19459 5024 1 8 . 1 1 61 61 LYS H H 61 8.601 8.601 8.150 0.451 19459 5025 1 8 . 1 1 62 62 SER N N 62 114.120 114.120 115.983 -1.863 19459 5026 1 8 . 1 1 62 62 SER HA H 62 4.765 4.765 4.325 0.440 19459 5027 1 8 . 1 1 62 62 SER C C 62 175.019 175.019 174.724 0.295 19459 5028 1 8 . 1 1 62 62 SER CA C 62 58.227 58.227 59.142 -0.915 19459 5029 1 8 . 1 1 62 62 SER CB C 62 65.387 65.387 63.783 1.603 19459 5030 1 8 . 1 1 62 62 SER H H 62 8.494 8.494 8.405 0.089 19459 5031 1 8 . 1 1 63 63 CYS N N 63 122.858 122.858 124.495 -1.637 19459 5032 1 8 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.444 -0.376 19459 5033 1 8 . 1 1 63 63 CYS C C 63 176.076 176.076 174.479 1.597 19459 5034 1 8 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.788 2.479 19459 5035 1 8 . 1 1 63 63 CYS CB C 63 40.768 40.768 27.839 12.929 19459 5036 1 8 . 1 1 63 63 CYS H H 63 8.359 8.359 8.382 -0.023 19459 5037 1 8 . 1 1 64 64 ARG N N 64 118.145 118.145 123.556 -5.411 19459 5038 1 8 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.642 -0.476 19459 5039 1 8 . 1 1 64 64 ARG C C 64 173.077 173.077 174.484 -1.407 19459 5040 1 8 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.036 0.944 19459 5041 1 8 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.154 -1.695 19459 5042 1 8 . 1 1 64 64 ARG H H 64 8.496 8.496 8.658 -0.162 19459 5043 1 8 . 1 1 65 65 ASN N N 65 122.302 122.302 121.500 0.802 19459 5044 1 8 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.177 -0.443 19459 5045 1 8 . 1 1 65 65 ASN C C 65 175.117 175.117 173.996 1.121 19459 5046 1 8 . 1 1 65 65 ASN CA C 65 52.112 52.112 50.539 1.573 19459 5047 1 8 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.328 -0.961 19459 5048 1 8 . 1 1 65 65 ASN H H 65 8.691 8.691 8.963 -0.272 19459 5049 1 8 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.284 0.199 19459 5050 1 8 . 1 1 67 67 PRO C C 67 172.228 172.228 177.249 -5.021 19459 5051 1 8 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.549 -1.883 19459 5052 1 8 . 1 1 67 67 PRO CB C 67 32.487 32.487 32.026 0.461 19459 5053 1 8 . 1 1 68 68 ASP N N 68 118.184 118.184 118.598 -0.414 19459 5054 1 8 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.483 0.159 19459 5055 1 8 . 1 1 68 68 ASP C C 68 173.951 173.951 174.496 -0.545 19459 5056 1 8 . 1 1 68 68 ASP CA C 68 53.179 53.179 55.281 -2.102 19459 5057 1 8 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.392 0.107 19459 5058 1 8 . 1 1 68 68 ASP H H 68 8.201 8.201 8.008 0.193 19459 5059 1 8 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.582 -0.346 19459 5060 1 8 . 1 1 69 69 PRO C C 69 172.350 172.350 176.982 -4.632 19459 5061 1 8 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.022 -0.111 19459 5062 1 8 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.244 -2.009 19459 5063 1 8 . 1 1 70 70 VAL N N 70 125.745 125.745 119.293 6.452 19459 5064 1 8 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.700 -0.041 19459 5065 1 8 . 1 1 70 70 VAL C C 70 171.231 171.231 177.664 -6.433 19459 5066 1 8 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.862 -0.198 19459 5067 1 8 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.621 -0.770 19459 5068 1 8 . 1 1 70 70 VAL H H 70 8.251 8.251 8.651 -0.400 19459 5069 1 8 . 1 1 71 71 ASN N N 71 119.702 119.702 118.439 1.263 19459 5070 1 8 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.501 -0.500 19459 5071 1 8 . 1 1 71 71 ASN C C 71 176.167 176.167 176.087 0.080 19459 5072 1 8 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.376 1.144 19459 5073 1 8 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.158 -1.916 19459 5074 1 8 . 1 1 71 71 ASN H H 71 8.994 8.994 8.195 0.799 19459 5075 1 8 . 1 1 72 72 GLY N N 72 104.254 104.254 106.780 -2.526 19459 5076 1 8 . 1 1 72 72 GLY C C 72 177.732 177.732 174.647 3.085 19459 5077 1 8 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.031 2.067 19459 5078 1 8 . 1 1 72 72 GLY H H 72 7.637 7.637 7.848 -0.211 19459 5079 1 8 . 1 1 73 73 MET N N 73 116.529 116.529 118.554 -2.025 19459 5080 1 8 . 1 1 73 73 MET HA H 73 4.887 4.887 4.492 0.395 19459 5081 1 8 . 1 1 73 73 MET C C 73 175.128 175.128 175.549 -0.421 19459 5082 1 8 . 1 1 73 73 MET CA C 73 54.890 54.890 55.493 -0.603 19459 5083 1 8 . 1 1 73 73 MET CB C 73 36.837 36.837 32.810 4.027 19459 5084 1 8 . 1 1 73 73 MET H H 73 8.819 8.819 8.215 0.604 19459 5085 1 8 . 1 1 74 74 VAL N N 74 122.511 122.511 119.406 3.105 19459 5086 1 8 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.158 0.445 19459 5087 1 8 . 1 1 74 74 VAL C C 74 176.573 176.573 176.049 0.524 19459 5088 1 8 . 1 1 74 74 VAL CA C 74 59.009 59.009 62.051 -3.042 19459 5089 1 8 . 1 1 74 74 VAL CB C 74 34.502 34.502 31.394 3.108 19459 5090 1 8 . 1 1 74 74 VAL H H 74 8.796 8.796 7.434 1.362 19459 5091 1 8 . 1 1 75 75 HIS N N 75 125.200 125.200 127.371 -2.171 19459 5092 1 8 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.758 -0.044 19459 5093 1 8 . 1 1 75 75 HIS C C 75 175.500 175.500 173.662 1.838 19459 5094 1 8 . 1 1 75 75 HIS CA C 75 53.685 53.685 55.177 -1.492 19459 5095 1 8 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.561 -4.553 19459 5096 1 8 . 1 1 75 75 HIS H H 75 8.977 8.977 8.253 0.724 19459 5097 1 8 . 1 1 76 76 VAL N N 76 127.456 127.456 124.833 2.623 19459 5098 1 8 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.333 -0.161 19459 5099 1 8 . 1 1 76 76 VAL C C 76 173.257 173.257 175.322 -2.065 19459 5100 1 8 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.857 1.341 19459 5101 1 8 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.163 -1.823 19459 5102 1 8 . 1 1 76 76 VAL H H 76 8.926 8.926 8.594 0.332 19459 5103 1 8 . 1 1 77 77 ILE N N 77 126.756 126.756 129.372 -2.616 19459 5104 1 8 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.897 0.254 19459 5105 1 8 . 1 1 77 77 ILE C C 77 172.744 172.744 177.250 -4.506 19459 5106 1 8 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.058 -1.124 19459 5107 1 8 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.397 0.775 19459 5108 1 8 . 1 1 77 77 ILE H H 77 7.978 7.978 8.618 -0.640 19459 5109 1 8 . 1 1 78 78 LYS N N 78 123.427 123.427 118.442 4.985 19459 5110 1 8 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.449 0.128 19459 5111 1 8 . 1 1 78 78 LYS C C 78 172.800 172.800 176.792 -3.992 19459 5112 1 8 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.561 -0.178 19459 5113 1 8 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.714 0.138 19459 5114 1 8 . 1 1 78 78 LYS H H 78 9.415 9.415 7.927 1.488 19459 5115 1 8 . 1 1 79 79 GLY N N 79 108.777 108.777 108.019 0.758 19459 5116 1 8 . 1 1 79 79 GLY C C 79 176.221 176.221 174.413 1.808 19459 5117 1 8 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.068 -0.186 19459 5118 1 8 . 1 1 79 79 GLY H H 79 7.857 7.857 8.431 -0.574 19459 5119 1 8 . 1 1 80 80 ILE N N 80 109.131 109.131 116.852 -7.721 19459 5120 1 8 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.083 0.875 19459 5121 1 8 . 1 1 80 80 ILE C C 80 174.883 174.883 174.349 0.534 19459 5122 1 8 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.422 -0.765 19459 5123 1 8 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.415 2.296 19459 5124 1 8 . 1 1 80 80 ILE H H 80 8.076 8.076 7.892 0.184 19459 5125 1 8 . 1 1 81 81 GLN N N 81 116.732 116.732 120.428 -3.696 19459 5126 1 8 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.526 0.140 19459 5127 1 8 . 1 1 81 81 GLN C C 81 172.989 172.989 174.338 -1.349 19459 5128 1 8 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.023 1.478 19459 5129 1 8 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.955 -2.281 19459 5130 1 8 . 1 1 81 81 GLN H H 81 7.682 7.682 7.829 -0.147 19459 5131 1 8 . 1 1 82 82 PHE N N 82 119.773 119.773 122.878 -3.105 19459 5132 1 8 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.059 -0.179 19459 5133 1 8 . 1 1 82 82 PHE C C 82 173.680 173.680 175.878 -2.198 19459 5134 1 8 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.872 -1.187 19459 5135 1 8 . 1 1 82 82 PHE CB C 82 40.119 40.119 38.514 1.605 19459 5136 1 8 . 1 1 82 82 PHE H H 82 8.615 8.615 8.556 0.059 19459 5137 1 8 . 1 1 83 83 GLY N N 83 119.507 119.507 116.375 3.132 19459 5138 1 8 . 1 1 83 83 GLY C C 83 174.662 174.662 174.063 0.599 19459 5139 1 8 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.616 -0.125 19459 5140 1 8 . 1 1 83 83 GLY H H 83 9.086 9.086 8.349 0.737 19459 5141 1 8 . 1 1 84 84 SER N N 84 118.128 118.128 117.268 0.860 19459 5142 1 8 . 1 1 84 84 SER HA H 84 4.415 4.415 4.526 -0.111 19459 5143 1 8 . 1 1 84 84 SER C C 84 177.247 177.247 173.829 3.418 19459 5144 1 8 . 1 1 84 84 SER CA C 84 60.111 60.111 59.069 1.042 19459 5145 1 8 . 1 1 84 84 SER CB C 84 64.281 64.281 64.353 -0.072 19459 5146 1 8 . 1 1 84 84 SER H H 84 8.573 8.573 7.757 0.816 19459 5147 1 8 . 1 1 85 85 GLN N N 85 119.913 119.913 125.591 -5.678 19459 5148 1 8 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.769 0.050 19459 5149 1 8 . 1 1 85 85 GLN C C 85 172.795 172.795 174.964 -2.169 19459 5150 1 8 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.217 -0.051 19459 5151 1 8 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.132 0.612 19459 5152 1 8 . 1 1 85 85 GLN H H 85 8.211 8.211 8.541 -0.330 19459 5153 1 8 . 1 1 86 86 ILE N N 86 119.724 119.724 119.469 0.255 19459 5154 1 8 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.170 -0.413 19459 5155 1 8 . 1 1 86 86 ILE C C 86 174.969 174.969 174.392 0.577 19459 5156 1 8 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.499 1.328 19459 5157 1 8 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.892 -1.098 19459 5158 1 8 . 1 1 86 86 ILE H H 86 9.215 9.215 9.275 -0.060 19459 5159 1 8 . 1 1 87 87 LYS N N 87 117.135 117.135 119.931 -2.796 19459 5160 1 8 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.933 0.302 19459 5161 1 8 . 1 1 87 87 LYS C C 87 174.599 174.599 175.102 -0.503 19459 5162 1 8 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.804 -0.091 19459 5163 1 8 . 1 1 87 87 LYS CB C 87 36.827 36.827 35.151 1.677 19459 5164 1 8 . 1 1 87 87 LYS H H 87 7.600 7.600 8.861 -1.261 19459 5165 1 8 . 1 1 88 88 TYR N N 88 119.004 119.004 121.015 -2.011 19459 5166 1 8 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.687 0.735 19459 5167 1 8 . 1 1 88 88 TYR C C 88 174.407 174.407 174.069 0.338 19459 5168 1 8 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.325 -0.390 19459 5169 1 8 . 1 1 88 88 TYR CB C 88 43.959 43.959 39.493 4.466 19459 5170 1 8 . 1 1 88 88 TYR H H 88 8.601 8.601 9.294 -0.693 19459 5171 1 8 . 1 1 89 89 SER N N 89 113.228 113.228 117.473 -4.245 19459 5172 1 8 . 1 1 89 89 SER HA H 89 4.668 4.668 5.126 -0.458 19459 5173 1 8 . 1 1 89 89 SER C C 89 177.136 177.136 174.429 2.707 19459 5174 1 8 . 1 1 89 89 SER CA C 89 57.291 57.291 55.469 1.822 19459 5175 1 8 . 1 1 89 89 SER CB C 89 66.534 66.534 64.745 1.789 19459 5176 1 8 . 1 1 89 89 SER H H 89 9.007 9.007 8.400 0.607 19459 5177 1 8 . 1 1 90 90 CYS N N 90 116.009 116.009 123.235 -7.226 19459 5178 1 8 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.255 1.166 19459 5179 1 8 . 1 1 90 90 CYS C C 90 173.812 173.812 174.192 -0.380 19459 5180 1 8 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.473 -5.389 19459 5181 1 8 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.322 14.082 19459 5182 1 8 . 1 1 90 90 CYS H H 90 8.806 8.806 8.505 0.301 19459 5183 1 8 . 1 1 91 91 THR N N 91 120.813 120.813 110.308 10.505 19459 5184 1 8 . 1 1 91 91 THR HA H 91 3.994 3.994 4.373 -0.379 19459 5185 1 8 . 1 1 91 91 THR C C 91 176.445 176.445 173.700 2.745 19459 5186 1 8 . 1 1 91 91 THR CA C 91 63.440 63.440 61.002 2.438 19459 5187 1 8 . 1 1 91 91 THR CB C 91 69.608 69.608 70.883 -1.275 19459 5188 1 8 . 1 1 91 91 THR H H 91 8.737 8.737 6.546 2.191 19459 5189 1 8 . 1 1 92 92 LYS N N 92 124.963 124.963 121.718 3.245 19459 5190 1 8 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.187 -0.083 19459 5191 1 8 . 1 1 92 92 LYS C C 92 172.310 172.310 177.666 -5.356 19459 5192 1 8 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.526 0.361 19459 5193 1 8 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.681 -0.542 19459 5194 1 8 . 1 1 92 92 LYS H H 92 8.325 8.325 8.420 -0.095 19459 5195 1 8 . 1 1 93 93 GLY N N 93 113.608 113.608 108.103 5.505 19459 5196 1 8 . 1 1 93 93 GLY C C 93 175.127 175.127 173.027 2.100 19459 5197 1 8 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.484 0.227 19459 5198 1 8 . 1 1 93 93 GLY H H 93 8.827 8.827 8.098 0.729 19459 5199 1 8 . 1 1 94 94 TYR N N 94 119.900 119.900 120.004 -0.104 19459 5200 1 8 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.896 -0.254 19459 5201 1 8 . 1 1 94 94 TYR C C 94 174.548 174.548 173.555 0.993 19459 5202 1 8 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.733 1.425 19459 5203 1 8 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.834 0.360 19459 5204 1 8 . 1 1 94 94 TYR H H 94 8.281 8.281 7.640 0.641 19459 5205 1 8 . 1 1 95 95 ARG N N 95 122.431 122.431 120.794 1.637 19459 5206 1 8 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.324 0.204 19459 5207 1 8 . 1 1 95 95 ARG C C 95 175.179 175.179 174.136 1.043 19459 5208 1 8 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.548 0.005 19459 5209 1 8 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.317 -0.116 19459 5210 1 8 . 1 1 95 95 ARG H H 95 9.608 9.608 8.516 1.092 19459 5211 1 8 . 1 1 96 96 LEU N N 96 125.652 125.652 124.115 1.537 19459 5212 1 8 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.613 0.049 19459 5213 1 8 . 1 1 96 96 LEU C C 96 172.420 172.420 176.780 -4.360 19459 5214 1 8 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.129 2.374 19459 5215 1 8 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.668 -0.862 19459 5216 1 8 . 1 1 96 96 LEU H H 96 8.231 8.231 8.360 -0.129 19459 5217 1 8 . 1 1 97 97 ILE N N 97 131.597 131.597 124.086 7.511 19459 5218 1 8 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.948 0.292 19459 5219 1 8 . 1 1 97 97 ILE C C 97 174.158 174.158 177.138 -2.980 19459 5220 1 8 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.078 -0.909 19459 5221 1 8 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.840 -0.037 19459 5222 1 8 . 1 1 97 97 ILE H H 97 9.661 9.661 8.462 1.199 19459 5223 1 8 . 1 1 98 98 GLY N N 98 116.731 116.731 107.189 9.542 19459 5224 1 8 . 1 1 98 98 GLY C C 98 176.923 176.923 174.116 2.807 19459 5225 1 8 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.307 -1.244 19459 5226 1 8 . 1 1 98 98 GLY H H 98 8.465 8.465 7.983 0.482 19459 5227 1 8 . 1 1 99 99 SER N N 99 116.632 116.632 116.670 -0.038 19459 5228 1 8 . 1 1 99 99 SER HA H 99 4.509 4.509 4.421 0.088 19459 5229 1 8 . 1 1 99 99 SER C C 99 175.013 175.013 175.407 -0.394 19459 5230 1 8 . 1 1 99 99 SER CA C 99 58.328 58.328 58.422 -0.094 19459 5231 1 8 . 1 1 99 99 SER CB C 99 63.996 63.996 62.315 1.681 19459 5232 1 8 . 1 1 99 99 SER H H 99 8.759 8.759 8.419 0.340 19459 5233 1 8 . 1 1 100 100 SER N N 100 116.696 116.696 118.305 -1.609 19459 5234 1 8 . 1 1 100 100 SER HA H 100 4.447 4.447 4.364 0.083 19459 5235 1 8 . 1 1 100 100 SER C C 100 175.403 175.403 174.391 1.012 19459 5236 1 8 . 1 1 100 100 SER CA C 100 59.209 59.209 60.438 -1.229 19459 5237 1 8 . 1 1 100 100 SER CB C 100 64.035 64.035 63.855 0.180 19459 5238 1 8 . 1 1 100 100 SER H H 100 8.617 8.617 8.048 0.569 19459 5239 1 8 . 1 1 101 101 SER N N 101 115.247 115.247 115.892 -0.645 19459 5240 1 8 . 1 1 101 101 SER HA H 101 5.346 5.346 5.203 0.143 19459 5241 1 8 . 1 1 101 101 SER C C 101 176.888 176.888 173.301 3.587 19459 5242 1 8 . 1 1 101 101 SER CA C 101 57.021 57.021 57.307 -0.286 19459 5243 1 8 . 1 1 101 101 SER CB C 101 66.391 66.391 65.888 0.503 19459 5244 1 8 . 1 1 101 101 SER H H 101 7.952 7.952 7.506 0.446 19459 5245 1 8 . 1 1 102 102 ALA N N 102 121.438 121.438 129.785 -8.347 19459 5246 1 8 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.889 0.198 19459 5247 1 8 . 1 1 102 102 ALA C C 102 173.807 173.807 175.924 -2.117 19459 5248 1 8 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.130 0.693 19459 5249 1 8 . 1 1 102 102 ALA CB C 102 24.071 24.071 21.840 2.231 19459 5250 1 8 . 1 1 102 102 ALA H H 102 8.286 8.286 8.891 -0.605 19459 5251 1 8 . 1 1 103 103 THR N N 103 118.007 118.007 117.592 0.415 19459 5252 1 8 . 1 1 103 103 THR HA H 103 5.560 5.560 5.261 0.299 19459 5253 1 8 . 1 1 103 103 THR C C 103 176.159 176.159 174.259 1.900 19459 5254 1 8 . 1 1 103 103 THR CA C 103 61.342 61.342 61.991 -0.649 19459 5255 1 8 . 1 1 103 103 THR CB C 103 71.171 71.171 71.233 -0.062 19459 5256 1 8 . 1 1 103 103 THR H H 103 9.636 9.636 8.368 1.268 19459 5257 1 8 . 1 1 104 104 CYS N N 104 127.602 127.602 128.077 -0.475 19459 5258 1 8 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.183 -0.817 19459 5259 1 8 . 1 1 104 104 CYS C C 104 174.892 174.892 174.553 0.339 19459 5260 1 8 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.253 -3.774 19459 5261 1 8 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.588 12.597 19459 5262 1 8 . 1 1 104 104 CYS H H 104 8.338 8.338 9.063 -0.725 19459 5263 1 8 . 1 1 105 105 ILE N N 105 126.775 126.775 123.508 3.267 19459 5264 1 8 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.112 -0.203 19459 5265 1 8 . 1 1 105 105 ILE C C 105 174.390 174.390 173.847 0.543 19459 5266 1 8 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.843 1.379 19459 5267 1 8 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.492 1.030 19459 5268 1 8 . 1 1 105 105 ILE H H 105 9.375 9.375 9.393 -0.018 19459 5269 1 8 . 1 1 106 106 ILE N N 106 118.256 118.256 122.347 -4.091 19459 5270 1 8 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.160 -0.090 19459 5271 1 8 . 1 1 106 106 ILE C C 106 172.560 172.560 176.798 -4.238 19459 5272 1 8 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.334 1.555 19459 5273 1 8 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.468 3.217 19459 5274 1 8 . 1 1 106 106 ILE H H 106 8.041 8.041 8.359 -0.318 19459 5275 1 8 . 1 1 107 107 SER N N 107 120.167 120.167 123.694 -3.527 19459 5276 1 8 . 1 1 107 107 SER HA H 107 4.376 4.376 4.251 0.125 19459 5277 1 8 . 1 1 107 107 SER C C 107 174.594 174.594 174.826 -0.232 19459 5278 1 8 . 1 1 107 107 SER CA C 107 57.111 57.111 60.335 -3.224 19459 5279 1 8 . 1 1 107 107 SER CB C 107 63.835 63.835 63.853 -0.018 19459 5280 1 8 . 1 1 107 107 SER H H 107 8.013 8.013 8.967 -0.954 19459 5281 1 8 . 1 1 108 108 GLY N N 108 119.089 119.089 108.522 10.567 19459 5282 1 8 . 1 1 108 108 GLY C C 108 174.665 174.665 172.724 1.941 19459 5283 1 8 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.238 2.250 19459 5284 1 8 . 1 1 108 108 GLY H H 108 9.116 9.116 7.542 1.574 19459 5285 1 8 . 1 1 109 109 ASP N N 109 127.143 127.143 119.504 7.639 19459 5286 1 8 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.776 -0.015 19459 5287 1 8 . 1 1 109 109 ASP C C 109 173.724 173.724 175.921 -2.197 19459 5288 1 8 . 1 1 109 109 ASP CA C 109 53.723 53.723 54.255 -0.532 19459 5289 1 8 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.516 -0.284 19459 5290 1 8 . 1 1 109 109 ASP H H 109 8.845 8.845 8.373 0.472 19459 5291 1 8 . 1 1 110 110 THR N N 110 115.044 115.044 111.467 3.577 19459 5292 1 8 . 1 1 110 110 THR HA H 110 4.663 4.663 4.404 0.259 19459 5293 1 8 . 1 1 110 110 THR C C 110 175.636 175.636 172.264 3.372 19459 5294 1 8 . 1 1 110 110 THR CA C 110 58.612 58.612 60.200 -1.588 19459 5295 1 8 . 1 1 110 110 THR CB C 110 71.146 71.146 70.155 0.991 19459 5296 1 8 . 1 1 110 110 THR H H 110 8.134 8.134 7.201 0.933 19459 5297 1 8 . 1 1 111 111 VAL N N 111 115.728 115.728 119.091 -3.363 19459 5298 1 8 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.810 0.505 19459 5299 1 8 . 1 1 111 111 VAL C C 111 174.752 174.752 174.467 0.285 19459 5300 1 8 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.294 -1.653 19459 5301 1 8 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.687 1.137 19459 5302 1 8 . 1 1 111 111 VAL H H 111 8.310 8.310 8.365 -0.055 19459 5303 1 8 . 1 1 112 112 ILE N N 112 117.116 117.116 118.913 -1.797 19459 5304 1 8 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.644 -0.138 19459 5305 1 8 . 1 1 112 112 ILE C C 112 174.637 174.637 174.214 0.423 19459 5306 1 8 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.945 0.550 19459 5307 1 8 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.814 1.377 19459 5308 1 8 . 1 1 112 112 ILE H H 112 8.945 8.945 8.694 0.251 19459 5309 1 8 . 1 1 113 113 TRP N N 113 121.755 121.755 120.951 0.804 19459 5310 1 8 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.036 0.071 19459 5311 1 8 . 1 1 113 113 TRP C C 113 170.413 170.413 176.543 -6.130 19459 5312 1 8 . 1 1 113 113 TRP CA C 113 56.377 56.377 57.053 -0.676 19459 5313 1 8 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.734 -0.438 19459 5314 1 8 . 1 1 113 113 TRP H H 113 7.567 7.567 8.523 -0.956 19459 5315 1 8 . 1 1 114 114 ASP N N 114 123.286 123.286 121.467 1.819 19459 5316 1 8 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.470 -0.263 19459 5317 1 8 . 1 1 114 114 ASP C C 114 174.083 174.083 176.341 -2.258 19459 5318 1 8 . 1 1 114 114 ASP CA C 114 55.401 55.401 56.121 -0.720 19459 5319 1 8 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.683 -1.534 19459 5320 1 8 . 1 1 114 114 ASP H H 114 9.451 9.451 8.797 0.654 19459 5321 1 8 . 1 1 115 115 GLN N N 115 116.139 116.139 118.510 -2.371 19459 5322 1 8 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.019 0.726 19459 5323 1 8 . 1 1 115 115 GLN C C 115 173.639 173.639 176.567 -2.928 19459 5324 1 8 . 1 1 115 115 GLN CA C 115 53.183 53.183 57.145 -3.962 19459 5325 1 8 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.028 3.295 19459 5326 1 8 . 1 1 115 115 GLN H H 115 7.305 7.305 8.330 -1.025 19459 5327 1 8 . 1 1 116 116 GLU N N 116 120.881 120.881 126.675 -5.794 19459 5328 1 8 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.225 0.105 19459 5329 1 8 . 1 1 116 116 GLU C C 116 173.578 173.578 176.846 -3.268 19459 5330 1 8 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.068 -2.911 19459 5331 1 8 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.551 -0.336 19459 5332 1 8 . 1 1 116 116 GLU H H 116 8.615 8.615 8.897 -0.282 19459 5333 1 8 . 1 1 117 117 THR N N 117 119.889 119.889 109.685 10.204 19459 5334 1 8 . 1 1 117 117 THR HA H 117 3.609 3.609 4.360 -0.751 19459 5335 1 8 . 1 1 117 117 THR C C 117 176.699 176.699 171.716 4.983 19459 5336 1 8 . 1 1 117 117 THR CA C 117 61.757 61.757 59.922 1.835 19459 5337 1 8 . 1 1 117 117 THR CB C 117 69.799 69.799 69.442 0.357 19459 5338 1 8 . 1 1 117 117 THR H H 117 8.075 8.075 7.711 0.364 19459 5339 1 8 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.316 0.216 19459 5340 1 8 . 1 1 118 118 PRO C C 118 175.300 175.300 175.509 -0.209 19459 5341 1 8 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.834 -0.474 19459 5342 1 8 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.073 0.815 19459 5343 1 8 . 1 1 119 119 ILE N N 119 114.729 114.729 121.552 -6.823 19459 5344 1 8 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.268 0.019 19459 5345 1 8 . 1 1 119 119 ILE C C 119 174.748 174.748 175.132 -0.384 19459 5346 1 8 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.630 -1.388 19459 5347 1 8 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.447 -0.263 19459 5348 1 8 . 1 1 119 119 ILE H H 119 7.874 7.874 7.899 -0.025 19459 5349 1 8 . 1 1 120 120 CYS N N 120 123.444 123.444 126.051 -2.607 19459 5350 1 8 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.901 0.649 19459 5351 1 8 . 1 1 120 120 CYS C C 120 175.583 175.583 175.230 0.353 19459 5352 1 8 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.309 -4.615 19459 5353 1 8 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.983 13.467 19459 5354 1 8 . 1 1 120 120 CYS H H 120 8.583 8.583 8.709 -0.126 19459 5355 1 8 . 1 1 121 121 ASP N N 121 124.459 124.459 125.352 -0.893 19459 5356 1 8 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.497 0.810 19459 5357 1 8 . 1 1 121 121 ASP C C 121 174.495 174.495 176.285 -1.790 19459 5358 1 8 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.647 -3.430 19459 5359 1 8 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.898 2.505 19459 5360 1 8 . 1 1 121 121 ASP H H 121 9.309 9.309 9.189 0.120 19459 5361 1 9 . 1 1 2 2 CYS N N 2 117.967 117.967 118.443 -0.476 19459 5362 1 9 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.665 -0.138 19459 5363 1 9 . 1 1 2 2 CYS C C 2 174.023 174.023 175.159 -1.136 19459 5364 1 9 . 1 1 2 2 CYS CA C 2 58.972 58.972 58.936 0.036 19459 5365 1 9 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.504 17.555 19459 5366 1 9 . 1 1 2 2 CYS H H 2 9.327 9.327 8.179 1.148 19459 5367 1 9 . 1 1 3 3 ASN N N 3 119.722 119.722 114.921 4.801 19459 5368 1 9 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.638 0.611 19459 5369 1 9 . 1 1 3 3 ASN C C 3 175.027 175.027 174.383 0.644 19459 5370 1 9 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.729 -1.216 19459 5371 1 9 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.482 2.161 19459 5372 1 9 . 1 1 3 3 ASN H H 3 8.686 8.686 8.154 0.532 19459 5373 1 9 . 1 1 4 4 ALA N N 4 122.403 122.403 118.520 3.883 19459 5374 1 9 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.554 -0.125 19459 5375 1 9 . 1 1 4 4 ALA C C 4 173.517 173.517 176.296 -2.779 19459 5376 1 9 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.400 -0.587 19459 5377 1 9 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.748 -1.761 19459 5378 1 9 . 1 1 4 4 ALA H H 4 8.401 8.401 8.439 -0.038 19459 5379 1 9 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.380 -0.472 19459 5380 1 9 . 1 1 5 5 PRO C C 5 172.806 172.806 176.871 -4.065 19459 5381 1 9 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.973 -1.522 19459 5382 1 9 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.130 -0.578 19459 5383 1 9 . 1 1 6 6 GLU N N 6 121.296 121.296 113.720 7.576 19459 5384 1 9 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.433 -0.242 19459 5385 1 9 . 1 1 6 6 GLU C C 6 172.835 172.835 173.879 -1.044 19459 5386 1 9 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.782 0.393 19459 5387 1 9 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.610 0.354 19459 5388 1 9 . 1 1 6 6 GLU H H 6 8.443 8.443 8.048 0.395 19459 5389 1 9 . 1 1 7 7 TRP N N 7 124.746 124.746 123.714 1.032 19459 5390 1 9 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.886 -0.954 19459 5391 1 9 . 1 1 7 7 TRP C C 7 174.236 174.236 174.938 -0.702 19459 5392 1 9 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.400 3.512 19459 5393 1 9 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.862 -0.829 19459 5394 1 9 . 1 1 7 7 TRP H H 7 8.674 8.674 8.515 0.159 19459 5395 1 9 . 1 1 8 8 LEU N N 8 125.782 125.782 131.461 -5.679 19459 5396 1 9 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.307 0.249 19459 5397 1 9 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.242 -0.277 19459 5398 1 9 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.042 -0.149 19459 5399 1 9 . 1 1 8 8 LEU H H 8 7.922 7.922 8.353 -0.431 19459 5400 1 9 . 1 1 9 9 PRO HA H 9 3.598 3.598 2.448 1.150 19459 5401 1 9 . 1 1 9 9 PRO C C 9 172.961 172.961 176.782 -3.821 19459 5402 1 9 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.772 -0.232 19459 5403 1 9 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.047 0.390 19459 5404 1 9 . 1 1 10 10 PHE N N 10 106.863 106.863 114.927 -8.064 19459 5405 1 9 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.129 -0.520 19459 5406 1 9 . 1 1 10 10 PHE C C 10 175.535 175.535 175.805 -0.270 19459 5407 1 9 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.815 -3.958 19459 5408 1 9 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.758 3.017 19459 5409 1 9 . 1 1 10 10 PHE H H 10 5.588 5.588 6.957 -1.369 19459 5410 1 9 . 1 1 11 11 ALA N N 11 121.214 121.214 119.080 2.134 19459 5411 1 9 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.371 -0.228 19459 5412 1 9 . 1 1 11 11 ALA C C 11 175.918 175.918 175.678 0.240 19459 5413 1 9 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.503 1.365 19459 5414 1 9 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.993 2.737 19459 5415 1 9 . 1 1 11 11 ALA H H 11 6.349 6.349 7.481 -1.132 19459 5416 1 9 . 1 1 12 12 ARG N N 12 117.160 117.160 119.798 -2.638 19459 5417 1 9 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.910 -0.213 19459 5418 1 9 . 1 1 12 12 ARG C C 12 178.499 178.499 173.427 5.072 19459 5419 1 9 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.578 1.287 19459 5420 1 9 . 1 1 12 12 ARG H H 12 9.219 9.219 8.040 1.179 19459 5421 1 9 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.545 -0.876 19459 5422 1 9 . 1 1 13 13 PRO C C 13 171.555 171.555 176.684 -5.129 19459 5423 1 9 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.428 -1.047 19459 5424 1 9 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.531 -0.983 19459 5425 1 9 . 1 1 14 14 THR N N 14 112.823 112.823 113.342 -0.519 19459 5426 1 9 . 1 1 14 14 THR HA H 14 3.905 3.905 4.407 -0.502 19459 5427 1 9 . 1 1 14 14 THR C C 14 174.364 174.364 175.274 -0.910 19459 5428 1 9 . 1 1 14 14 THR CA C 14 63.180 63.180 62.262 0.918 19459 5429 1 9 . 1 1 14 14 THR CB C 14 68.154 68.154 69.457 -1.303 19459 5430 1 9 . 1 1 14 14 THR H H 14 8.062 8.062 8.173 -0.111 19459 5431 1 9 . 1 1 15 15 GLN N N 15 119.736 119.736 118.306 1.430 19459 5432 1 9 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.398 0.103 19459 5433 1 9 . 1 1 15 15 GLN C C 15 174.815 174.815 176.923 -2.108 19459 5434 1 9 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.366 -2.999 19459 5435 1 9 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.291 1.825 19459 5436 1 9 . 1 1 15 15 GLN H H 15 7.758 7.758 8.021 -0.263 19459 5437 1 9 . 1 1 16 16 LEU N N 16 124.583 124.583 119.300 5.283 19459 5438 1 9 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.256 0.105 19459 5439 1 9 . 1 1 16 16 LEU C C 16 172.167 172.167 176.957 -4.790 19459 5440 1 9 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.273 -0.976 19459 5441 1 9 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.671 0.363 19459 5442 1 9 . 1 1 16 16 LEU H H 16 8.458 8.458 8.234 0.224 19459 5443 1 9 . 1 1 17 17 THR N N 17 116.730 116.730 111.095 5.635 19459 5444 1 9 . 1 1 17 17 THR HA H 17 4.633 4.633 3.856 0.777 19459 5445 1 9 . 1 1 17 17 THR C C 17 175.703 175.703 175.728 -0.025 19459 5446 1 9 . 1 1 17 17 THR CA C 17 60.358 60.358 64.508 -4.150 19459 5447 1 9 . 1 1 17 17 THR CB C 17 70.110 70.110 68.707 1.403 19459 5448 1 9 . 1 1 17 17 THR H H 17 8.325 8.325 7.628 0.697 19459 5449 1 9 . 1 1 18 18 ASP N N 18 122.839 122.839 119.294 3.545 19459 5450 1 9 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.813 -0.071 19459 5451 1 9 . 1 1 18 18 ASP C C 18 173.642 173.642 175.449 -1.807 19459 5452 1 9 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.386 -1.173 19459 5453 1 9 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.703 -2.781 19459 5454 1 9 . 1 1 18 18 ASP H H 18 8.487 8.487 7.568 0.919 19459 5455 1 9 . 1 1 19 19 GLU N N 19 120.523 120.523 117.693 2.830 19459 5456 1 9 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.472 -0.399 19459 5457 1 9 . 1 1 19 19 GLU C C 19 174.249 174.249 175.618 -1.369 19459 5458 1 9 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.075 1.075 19459 5459 1 9 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.302 0.041 19459 5460 1 9 . 1 1 19 19 GLU H H 19 7.931 7.931 7.316 0.615 19459 5461 1 9 . 1 1 20 20 PHE N N 20 118.500 118.500 121.707 -3.207 19459 5462 1 9 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.274 0.472 19459 5463 1 9 . 1 1 20 20 PHE C C 20 174.885 174.885 175.956 -1.071 19459 5464 1 9 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.774 -4.260 19459 5465 1 9 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.555 0.928 19459 5466 1 9 . 1 1 20 20 PHE H H 20 8.279 8.279 8.548 -0.269 19459 5467 1 9 . 1 1 21 21 GLU N N 21 117.080 117.080 118.789 -1.709 19459 5468 1 9 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.538 0.472 19459 5469 1 9 . 1 1 21 21 GLU C C 21 174.900 174.900 175.098 -0.198 19459 5470 1 9 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.280 -1.007 19459 5471 1 9 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.613 -0.240 19459 5472 1 9 . 1 1 21 21 GLU H H 21 7.022 7.022 7.905 -0.883 19459 5473 1 9 . 1 1 22 22 PHE N N 22 119.655 119.655 122.306 -2.651 19459 5474 1 9 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.931 0.038 19459 5475 1 9 . 1 1 22 22 PHE C C 22 176.708 176.708 173.353 3.355 19459 5476 1 9 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.068 -0.292 19459 5477 1 9 . 1 1 22 22 PHE CB C 22 41.746 41.746 40.366 1.380 19459 5478 1 9 . 1 1 22 22 PHE H H 22 8.974 8.974 8.306 0.668 19459 5479 1 9 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.540 0.048 19459 5480 1 9 . 1 1 23 23 PRO C C 23 171.163 171.163 176.383 -5.220 19459 5481 1 9 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.492 -0.075 19459 5482 1 9 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.571 0.084 19459 5483 1 9 . 1 1 24 24 ILE N N 24 123.238 123.238 119.805 3.433 19459 5484 1 9 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.725 -0.315 19459 5485 1 9 . 1 1 24 24 ILE C C 24 172.283 172.283 177.707 -5.424 19459 5486 1 9 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.657 1.389 19459 5487 1 9 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.400 0.049 19459 5488 1 9 . 1 1 24 24 ILE H H 24 8.199 8.199 8.312 -0.114 19459 5489 1 9 . 1 1 25 25 GLY N N 25 115.962 115.962 115.257 0.705 19459 5490 1 9 . 1 1 25 25 GLY C C 25 174.927 174.927 173.743 1.184 19459 5491 1 9 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.892 -0.469 19459 5492 1 9 . 1 1 25 25 GLY H H 25 9.061 9.061 8.409 0.652 19459 5493 1 9 . 1 1 26 26 THR N N 26 117.152 117.152 116.932 0.220 19459 5494 1 9 . 1 1 26 26 THR HA H 26 4.081 4.081 4.545 -0.464 19459 5495 1 9 . 1 1 26 26 THR C C 26 176.723 176.723 173.345 3.378 19459 5496 1 9 . 1 1 26 26 THR CA C 26 65.711 65.711 61.294 4.417 19459 5497 1 9 . 1 1 26 26 THR CB C 26 70.084 70.084 70.518 -0.434 19459 5498 1 9 . 1 1 26 26 THR H H 26 7.704 7.704 7.593 0.111 19459 5499 1 9 . 1 1 27 27 TYR N N 27 125.094 125.094 126.257 -1.163 19459 5500 1 9 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.793 0.999 19459 5501 1 9 . 1 1 27 27 TYR C C 27 173.835 173.835 175.506 -1.671 19459 5502 1 9 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.068 -2.204 19459 5503 1 9 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.682 1.194 19459 5504 1 9 . 1 1 27 27 TYR H H 27 8.542 8.542 8.772 -0.230 19459 5505 1 9 . 1 1 28 28 LEU N N 28 120.714 120.714 123.876 -3.162 19459 5506 1 9 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.683 0.101 19459 5507 1 9 . 1 1 28 28 LEU C C 28 172.808 172.808 175.859 -3.051 19459 5508 1 9 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.336 -0.153 19459 5509 1 9 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.206 0.731 19459 5510 1 9 . 1 1 28 28 LEU H H 28 9.000 9.000 8.168 0.832 19459 5511 1 9 . 1 1 29 29 ASN N N 29 121.617 121.617 120.866 0.751 19459 5512 1 9 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.834 0.066 19459 5513 1 9 . 1 1 29 29 ASN C C 29 174.783 174.783 173.957 0.826 19459 5514 1 9 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.617 1.615 19459 5515 1 9 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.824 0.367 19459 5516 1 9 . 1 1 29 29 ASN H H 29 8.544 8.544 9.182 -0.638 19459 5517 1 9 . 1 1 30 30 TYR N N 30 126.738 126.738 125.648 1.090 19459 5518 1 9 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.671 0.015 19459 5519 1 9 . 1 1 30 30 TYR C C 30 174.911 174.911 174.476 0.435 19459 5520 1 9 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.934 -0.033 19459 5521 1 9 . 1 1 30 30 TYR CB C 30 44.842 44.842 41.213 3.629 19459 5522 1 9 . 1 1 30 30 TYR H H 30 9.324 9.324 8.102 1.222 19459 5523 1 9 . 1 1 31 31 GLU N N 31 114.116 114.116 121.586 -7.470 19459 5524 1 9 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.705 0.005 19459 5525 1 9 . 1 1 31 31 GLU C C 31 173.694 173.694 175.297 -1.603 19459 5526 1 9 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.544 -1.425 19459 5527 1 9 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.625 0.001 19459 5528 1 9 . 1 1 31 31 GLU H H 31 8.553 8.553 8.576 -0.023 19459 5529 1 9 . 1 1 32 32 CYS N N 32 121.086 121.086 122.085 -0.999 19459 5530 1 9 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.519 0.532 19459 5531 1 9 . 1 1 32 32 CYS C C 32 173.553 173.553 175.570 -2.017 19459 5532 1 9 . 1 1 32 32 CYS CA C 32 54.480 54.480 59.070 -4.590 19459 5533 1 9 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.426 9.061 19459 5534 1 9 . 1 1 32 32 CYS H H 32 9.784 9.784 8.857 0.927 19459 5535 1 9 . 1 1 33 33 ARG N N 33 123.418 123.418 122.461 0.957 19459 5536 1 9 . 1 1 33 33 ARG C C 33 176.822 176.822 174.913 1.909 19459 5537 1 9 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.391 0.920 19459 5538 1 9 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.837 -0.494 19459 5539 1 9 . 1 1 33 33 ARG H H 33 7.898 7.898 8.212 -0.314 19459 5540 1 9 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.407 -0.027 19459 5541 1 9 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.824 0.231 19459 5542 1 9 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.863 -0.528 19459 5543 1 9 . 1 1 35 35 GLY N N 35 111.039 111.039 109.247 1.792 19459 5544 1 9 . 1 1 35 35 GLY C C 35 177.546 177.546 174.260 3.286 19459 5545 1 9 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.525 -0.626 19459 5546 1 9 . 1 1 35 35 GLY H H 35 8.378 8.378 8.532 -0.154 19459 5547 1 9 . 1 1 36 36 TYR N N 36 116.682 116.682 119.114 -2.432 19459 5548 1 9 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.498 0.523 19459 5549 1 9 . 1 1 36 36 TYR C C 36 174.005 174.005 175.558 -1.553 19459 5550 1 9 . 1 1 36 36 TYR CA C 36 56.495 56.495 58.199 -1.704 19459 5551 1 9 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.713 2.268 19459 5552 1 9 . 1 1 36 36 TYR H H 36 8.175 8.175 7.402 0.773 19459 5553 1 9 . 1 1 37 37 SER N N 37 115.855 115.855 118.281 -2.426 19459 5554 1 9 . 1 1 37 37 SER HA H 37 4.819 4.819 4.214 0.605 19459 5555 1 9 . 1 1 37 37 SER C C 37 175.442 175.442 175.705 -0.263 19459 5556 1 9 . 1 1 37 37 SER CA C 37 56.534 56.534 60.341 -3.807 19459 5557 1 9 . 1 1 37 37 SER CB C 37 65.642 65.642 63.521 2.121 19459 5558 1 9 . 1 1 37 37 SER H H 37 9.711 9.711 8.762 0.949 19459 5559 1 9 . 1 1 38 38 GLY N N 38 113.435 113.435 108.893 4.542 19459 5560 1 9 . 1 1 38 38 GLY C C 38 175.876 175.876 173.438 2.438 19459 5561 1 9 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.574 0.695 19459 5562 1 9 . 1 1 38 38 GLY H H 38 8.288 8.288 8.208 0.080 19459 5563 1 9 . 1 1 39 39 ARG N N 39 124.199 124.199 123.266 0.933 19459 5564 1 9 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.548 0.191 19459 5565 1 9 . 1 1 39 39 ARG C C 39 175.413 175.413 174.735 0.678 19459 5566 1 9 . 1 1 39 39 ARG CA C 39 54.740 54.740 54.460 0.280 19459 5567 1 9 . 1 1 39 39 ARG CB C 39 29.634 29.634 31.081 -1.447 19459 5568 1 9 . 1 1 39 39 ARG H H 39 8.350 8.350 8.276 0.074 19459 5569 1 9 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.696 -0.038 19459 5570 1 9 . 1 1 40 40 PRO C C 40 173.702 173.702 175.800 -2.098 19459 5571 1 9 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.167 1.303 19459 5572 1 9 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.158 0.030 19459 5573 1 9 . 1 1 41 41 PHE N N 41 118.388 118.388 124.029 -5.641 19459 5574 1 9 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.822 0.341 19459 5575 1 9 . 1 1 41 41 PHE C C 41 176.886 176.886 173.554 3.332 19459 5576 1 9 . 1 1 41 41 PHE CA C 41 55.566 55.566 57.016 -1.450 19459 5577 1 9 . 1 1 41 41 PHE CB C 41 41.264 41.264 43.111 -1.847 19459 5578 1 9 . 1 1 41 41 PHE H H 41 8.017 8.017 8.127 -0.110 19459 5579 1 9 . 1 1 42 42 SER N N 42 114.056 114.056 119.199 -5.143 19459 5580 1 9 . 1 1 42 42 SER HA H 42 5.771 5.771 5.147 0.624 19459 5581 1 9 . 1 1 42 42 SER C C 42 174.978 174.978 172.873 2.105 19459 5582 1 9 . 1 1 42 42 SER CA C 42 56.668 56.668 55.780 0.888 19459 5583 1 9 . 1 1 42 42 SER CB C 42 66.152 66.152 64.831 1.321 19459 5584 1 9 . 1 1 42 42 SER H H 42 8.540 8.540 7.581 0.959 19459 5585 1 9 . 1 1 43 43 ILE N N 43 115.669 115.669 120.987 -5.318 19459 5586 1 9 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.192 0.873 19459 5587 1 9 . 1 1 43 43 ILE C C 43 174.535 174.535 174.584 -0.049 19459 5588 1 9 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.701 -0.657 19459 5589 1 9 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.838 1.517 19459 5590 1 9 . 1 1 43 43 ILE H H 43 8.637 8.637 8.068 0.569 19459 5591 1 9 . 1 1 44 44 ILE N N 44 120.215 120.215 125.379 -5.164 19459 5592 1 9 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.978 0.308 19459 5593 1 9 . 1 1 44 44 ILE C C 44 174.033 174.033 176.071 -2.038 19459 5594 1 9 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.783 0.873 19459 5595 1 9 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.707 2.623 19459 5596 1 9 . 1 1 44 44 ILE H H 44 8.687 8.687 8.016 0.671 19459 5597 1 9 . 1 1 45 45 CYS N N 45 126.257 126.257 127.769 -1.512 19459 5598 1 9 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.020 -0.268 19459 5599 1 9 . 1 1 45 45 CYS C C 45 174.946 174.946 174.660 0.286 19459 5600 1 9 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.985 -4.919 19459 5601 1 9 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.344 14.267 19459 5602 1 9 . 1 1 45 45 CYS H H 45 7.993 7.993 8.445 -0.452 19459 5603 1 9 . 1 1 46 46 LEU N N 46 132.514 132.514 127.017 5.497 19459 5604 1 9 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.399 0.017 19459 5605 1 9 . 1 1 46 46 LEU C C 46 172.195 172.195 176.233 -4.038 19459 5606 1 9 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.627 -1.283 19459 5607 1 9 . 1 1 46 46 LEU CB C 46 44.204 44.204 43.244 0.960 19459 5608 1 9 . 1 1 46 46 LEU H H 46 8.826 8.826 7.855 0.971 19459 5609 1 9 . 1 1 47 47 LYS N N 47 115.254 115.254 121.021 -5.767 19459 5610 1 9 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.204 -0.216 19459 5611 1 9 . 1 1 47 47 LYS C C 47 173.781 173.781 176.487 -2.706 19459 5612 1 9 . 1 1 47 47 LYS CA C 47 57.983 57.983 56.821 1.162 19459 5613 1 9 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.547 -1.339 19459 5614 1 9 . 1 1 47 47 LYS H H 47 7.949 7.949 7.824 0.125 19459 5615 1 9 . 1 1 48 48 ASN N N 48 115.283 115.283 124.782 -9.499 19459 5616 1 9 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.406 0.130 19459 5617 1 9 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.341 -0.801 19459 5618 1 9 . 1 1 48 48 ASN CB C 48 36.372 36.372 36.992 -0.620 19459 5619 1 9 . 1 1 48 48 ASN H H 48 8.432 8.432 9.212 -0.780 19459 5620 1 9 . 1 1 49 49 SER N N 49 110.595 110.595 105.604 4.991 19459 5621 1 9 . 1 1 49 49 SER HA H 49 3.969 3.969 3.830 0.139 19459 5622 1 9 . 1 1 49 49 SER CA C 49 59.790 59.790 60.517 -0.727 19459 5623 1 9 . 1 1 49 49 SER CB C 49 60.870 60.870 61.425 -0.555 19459 5624 1 9 . 1 1 49 49 SER H H 49 8.457 8.457 8.122 0.335 19459 5625 1 9 . 1 1 50 50 VAL N N 50 117.680 117.680 118.197 -0.517 19459 5626 1 9 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.876 0.457 19459 5627 1 9 . 1 1 50 50 VAL C C 50 175.347 175.347 175.382 -0.035 19459 5628 1 9 . 1 1 50 50 VAL CA C 50 59.884 59.884 65.136 -5.252 19459 5629 1 9 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.994 1.843 19459 5630 1 9 . 1 1 50 50 VAL H H 50 6.840 6.840 7.768 -0.928 19459 5631 1 9 . 1 1 51 51 TRP N N 51 123.510 123.510 114.499 9.011 19459 5632 1 9 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.124 0.198 19459 5633 1 9 . 1 1 51 51 TRP C C 51 170.736 170.736 177.383 -6.647 19459 5634 1 9 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.783 -0.847 19459 5635 1 9 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.380 -1.589 19459 5636 1 9 . 1 1 51 51 TRP H H 51 8.310 8.310 7.592 0.718 19459 5637 1 9 . 1 1 52 52 THR N N 52 115.962 115.962 115.817 0.145 19459 5638 1 9 . 1 1 52 52 THR HA H 52 4.656 4.656 4.181 0.475 19459 5639 1 9 . 1 1 52 52 THR C C 52 175.780 175.780 176.297 -0.517 19459 5640 1 9 . 1 1 52 52 THR CA C 52 61.376 61.376 65.374 -3.998 19459 5641 1 9 . 1 1 52 52 THR CB C 52 70.723 70.723 69.472 1.251 19459 5642 1 9 . 1 1 52 52 THR H H 52 9.026 9.026 8.889 0.137 19459 5643 1 9 . 1 1 53 53 GLY N N 53 108.521 108.521 107.277 1.244 19459 5644 1 9 . 1 1 53 53 GLY C C 53 174.881 174.881 173.409 1.472 19459 5645 1 9 . 1 1 53 53 GLY CA C 53 45.344 45.344 45.031 0.313 19459 5646 1 9 . 1 1 53 53 GLY H H 53 8.292 8.292 7.916 0.376 19459 5647 1 9 . 1 1 54 54 ALA N N 54 121.857 121.857 121.461 0.396 19459 5648 1 9 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.876 0.277 19459 5649 1 9 . 1 1 54 54 ALA C C 54 172.786 172.786 176.167 -3.381 19459 5650 1 9 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.689 -0.992 19459 5651 1 9 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.585 2.129 19459 5652 1 9 . 1 1 54 54 ALA H H 54 8.443 8.443 8.214 0.229 19459 5653 1 9 . 1 1 55 55 LYS N N 55 118.318 118.318 118.757 -0.439 19459 5654 1 9 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.159 -0.415 19459 5655 1 9 . 1 1 55 55 LYS C C 55 172.519 172.519 176.534 -4.015 19459 5656 1 9 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.578 1.366 19459 5657 1 9 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.870 -0.238 19459 5658 1 9 . 1 1 55 55 LYS H H 55 7.612 7.612 7.835 -0.223 19459 5659 1 9 . 1 1 56 56 ASP N N 56 119.214 119.214 123.374 -4.160 19459 5660 1 9 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.420 -0.303 19459 5661 1 9 . 1 1 56 56 ASP C C 56 173.700 173.700 176.007 -2.307 19459 5662 1 9 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.737 -0.353 19459 5663 1 9 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.638 -0.468 19459 5664 1 9 . 1 1 56 56 ASP H H 56 8.555 8.555 9.071 -0.516 19459 5665 1 9 . 1 1 57 57 ARG N N 57 116.006 116.006 116.224 -0.218 19459 5666 1 9 . 1 1 57 57 ARG HA H 57 3.880 3.880 3.955 -0.075 19459 5667 1 9 . 1 1 57 57 ARG C C 57 171.638 171.638 176.120 -4.482 19459 5668 1 9 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.796 -1.869 19459 5669 1 9 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.720 1.437 19459 5670 1 9 . 1 1 57 57 ARG H H 57 7.352 7.352 8.258 -0.906 19459 5671 1 9 . 1 1 58 58 CYS N N 58 115.000 115.000 115.562 -0.562 19459 5672 1 9 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.624 0.950 19459 5673 1 9 . 1 1 58 58 CYS C C 58 175.576 175.576 174.165 1.411 19459 5674 1 9 . 1 1 58 58 CYS CA C 58 52.852 52.852 58.114 -5.261 19459 5675 1 9 . 1 1 58 58 CYS CB C 58 43.576 43.576 27.427 16.149 19459 5676 1 9 . 1 1 58 58 CYS H H 58 7.587 7.587 8.017 -0.430 19459 5677 1 9 . 1 1 59 59 ARG N N 59 123.440 123.440 121.428 2.012 19459 5678 1 9 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.517 0.243 19459 5679 1 9 . 1 1 59 59 ARG C C 59 173.566 173.566 174.383 -0.817 19459 5680 1 9 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.722 -0.483 19459 5681 1 9 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.901 -1.099 19459 5682 1 9 . 1 1 59 59 ARG H H 59 8.984 8.984 8.649 0.335 19459 5683 1 9 . 1 1 60 60 ARG N N 60 125.644 125.644 121.372 4.272 19459 5684 1 9 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.268 -0.617 19459 5685 1 9 . 1 1 60 60 ARG C C 60 172.119 172.119 174.888 -2.769 19459 5686 1 9 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.584 3.715 19459 5687 1 9 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.875 -0.607 19459 5688 1 9 . 1 1 60 60 ARG H H 60 9.163 9.163 8.391 0.772 19459 5689 1 9 . 1 1 61 61 LYS N N 61 124.217 124.217 122.656 1.561 19459 5690 1 9 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.278 -0.161 19459 5691 1 9 . 1 1 61 61 LYS C C 61 173.791 173.791 176.463 -2.672 19459 5692 1 9 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.392 1.806 19459 5693 1 9 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.462 1.752 19459 5694 1 9 . 1 1 61 61 LYS H H 61 8.601 8.601 8.258 0.343 19459 5695 1 9 . 1 1 62 62 SER N N 62 114.120 114.120 117.646 -3.526 19459 5696 1 9 . 1 1 62 62 SER HA H 62 4.765 4.765 4.476 0.289 19459 5697 1 9 . 1 1 62 62 SER C C 62 175.019 175.019 175.059 -0.040 19459 5698 1 9 . 1 1 62 62 SER CA C 62 58.227 58.227 58.960 -0.733 19459 5699 1 9 . 1 1 62 62 SER CB C 62 65.387 65.387 63.681 1.706 19459 5700 1 9 . 1 1 62 62 SER H H 62 8.494 8.494 8.399 0.095 19459 5701 1 9 . 1 1 63 63 CYS N N 63 122.858 122.858 123.754 -0.896 19459 5702 1 9 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.477 -0.409 19459 5703 1 9 . 1 1 63 63 CYS C C 63 176.076 176.076 174.270 1.806 19459 5704 1 9 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.285 2.982 19459 5705 1 9 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.059 11.709 19459 5706 1 9 . 1 1 63 63 CYS H H 63 8.359 8.359 7.991 0.368 19459 5707 1 9 . 1 1 64 64 ARG N N 64 118.145 118.145 120.118 -1.973 19459 5708 1 9 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.654 -0.488 19459 5709 1 9 . 1 1 64 64 ARG C C 64 173.077 173.077 174.413 -1.336 19459 5710 1 9 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.335 0.645 19459 5711 1 9 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.903 -2.443 19459 5712 1 9 . 1 1 64 64 ARG H H 64 8.496 8.496 8.702 -0.206 19459 5713 1 9 . 1 1 65 65 ASN N N 65 122.302 122.302 119.607 2.695 19459 5714 1 9 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.121 -0.387 19459 5715 1 9 . 1 1 65 65 ASN C C 65 175.117 175.117 174.023 1.094 19459 5716 1 9 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.551 0.561 19459 5717 1 9 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.584 -1.217 19459 5718 1 9 . 1 1 65 65 ASN H H 65 8.691 8.691 8.983 -0.292 19459 5719 1 9 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.353 0.130 19459 5720 1 9 . 1 1 67 67 PRO C C 67 172.228 172.228 176.767 -4.539 19459 5721 1 9 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.389 -1.723 19459 5722 1 9 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.951 0.536 19459 5723 1 9 . 1 1 68 68 ASP N N 68 118.184 118.184 118.237 -0.053 19459 5724 1 9 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.398 0.244 19459 5725 1 9 . 1 1 68 68 ASP C C 68 173.951 173.951 173.933 0.018 19459 5726 1 9 . 1 1 68 68 ASP CA C 68 53.179 53.179 55.075 -1.896 19459 5727 1 9 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.853 0.646 19459 5728 1 9 . 1 1 68 68 ASP H H 68 8.201 8.201 7.995 0.206 19459 5729 1 9 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.506 -0.270 19459 5730 1 9 . 1 1 69 69 PRO C C 69 172.350 172.350 177.505 -5.155 19459 5731 1 9 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.495 -0.584 19459 5732 1 9 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.609 -1.374 19459 5733 1 9 . 1 1 70 70 VAL N N 70 125.745 125.745 120.389 5.356 19459 5734 1 9 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.677 -0.018 19459 5735 1 9 . 1 1 70 70 VAL C C 70 171.231 171.231 177.712 -6.481 19459 5736 1 9 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.743 -1.079 19459 5737 1 9 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.886 -1.035 19459 5738 1 9 . 1 1 70 70 VAL H H 70 8.251 8.251 8.476 -0.225 19459 5739 1 9 . 1 1 71 71 ASN N N 71 119.702 119.702 117.859 1.843 19459 5740 1 9 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.457 -0.456 19459 5741 1 9 . 1 1 71 71 ASN C C 71 176.167 176.167 176.139 0.028 19459 5742 1 9 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.758 0.763 19459 5743 1 9 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.510 -2.268 19459 5744 1 9 . 1 1 71 71 ASN H H 71 8.994 8.994 8.524 0.470 19459 5745 1 9 . 1 1 72 72 GLY N N 72 104.254 104.254 106.466 -2.212 19459 5746 1 9 . 1 1 72 72 GLY C C 72 177.732 177.732 173.816 3.916 19459 5747 1 9 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.297 1.801 19459 5748 1 9 . 1 1 72 72 GLY H H 72 7.637 7.637 8.250 -0.613 19459 5749 1 9 . 1 1 73 73 MET N N 73 116.529 116.529 120.853 -4.324 19459 5750 1 9 . 1 1 73 73 MET HA H 73 4.887 4.887 4.606 0.281 19459 5751 1 9 . 1 1 73 73 MET C C 73 175.128 175.128 174.056 1.072 19459 5752 1 9 . 1 1 73 73 MET CA C 73 54.890 54.890 54.553 0.337 19459 5753 1 9 . 1 1 73 73 MET CB C 73 36.837 36.837 32.359 4.478 19459 5754 1 9 . 1 1 73 73 MET H H 73 8.819 8.819 7.956 0.863 19459 5755 1 9 . 1 1 74 74 VAL N N 74 122.511 122.511 125.006 -2.495 19459 5756 1 9 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.670 -0.067 19459 5757 1 9 . 1 1 74 74 VAL C C 74 176.573 176.573 176.661 -0.088 19459 5758 1 9 . 1 1 74 74 VAL CA C 74 59.009 59.009 60.113 -1.104 19459 5759 1 9 . 1 1 74 74 VAL CB C 74 34.502 34.502 33.756 0.746 19459 5760 1 9 . 1 1 74 74 VAL H H 74 8.796 8.796 7.942 0.854 19459 5761 1 9 . 1 1 75 75 HIS N N 75 125.200 125.200 126.469 -1.269 19459 5762 1 9 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.354 0.360 19459 5763 1 9 . 1 1 75 75 HIS C C 75 175.500 175.500 175.590 -0.090 19459 5764 1 9 . 1 1 75 75 HIS CA C 75 53.685 53.685 58.052 -4.367 19459 5765 1 9 . 1 1 75 75 HIS CB C 75 29.008 29.008 30.255 -1.247 19459 5766 1 9 . 1 1 75 75 HIS H H 75 8.977 8.977 8.386 0.592 19459 5767 1 9 . 1 1 76 76 VAL N N 76 127.456 127.456 118.641 8.815 19459 5768 1 9 . 1 1 76 76 VAL HA H 76 4.172 4.172 3.666 0.506 19459 5769 1 9 . 1 1 76 76 VAL C C 76 173.257 173.257 175.679 -2.422 19459 5770 1 9 . 1 1 76 76 VAL CA C 76 62.198 62.198 62.510 -0.312 19459 5771 1 9 . 1 1 76 76 VAL CB C 76 31.340 31.340 31.532 -0.192 19459 5772 1 9 . 1 1 76 76 VAL H H 76 8.926 8.926 7.844 1.082 19459 5773 1 9 . 1 1 77 77 ILE N N 77 126.756 126.756 126.222 0.534 19459 5774 1 9 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.848 0.303 19459 5775 1 9 . 1 1 77 77 ILE C C 77 172.744 172.744 177.250 -4.506 19459 5776 1 9 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.713 -0.779 19459 5777 1 9 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.072 1.100 19459 5778 1 9 . 1 1 77 77 ILE H H 77 7.978 7.978 8.161 -0.183 19459 5779 1 9 . 1 1 78 78 LYS N N 78 123.427 123.427 117.218 6.209 19459 5780 1 9 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.435 0.142 19459 5781 1 9 . 1 1 78 78 LYS C C 78 172.800 172.800 177.508 -4.708 19459 5782 1 9 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.209 0.174 19459 5783 1 9 . 1 1 78 78 LYS CB C 78 32.852 32.852 33.077 -0.225 19459 5784 1 9 . 1 1 78 78 LYS H H 78 9.415 9.415 8.069 1.345 19459 5785 1 9 . 1 1 79 79 GLY N N 79 108.777 108.777 106.396 2.381 19459 5786 1 9 . 1 1 79 79 GLY C C 79 176.221 176.221 174.728 1.493 19459 5787 1 9 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.946 -0.064 19459 5788 1 9 . 1 1 79 79 GLY H H 79 7.857 7.857 8.376 -0.519 19459 5789 1 9 . 1 1 80 80 ILE N N 80 109.131 109.131 116.285 -7.154 19459 5790 1 9 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.149 0.809 19459 5791 1 9 . 1 1 80 80 ILE C C 80 174.883 174.883 174.023 0.860 19459 5792 1 9 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.006 -0.349 19459 5793 1 9 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.367 2.344 19459 5794 1 9 . 1 1 80 80 ILE H H 80 8.076 8.076 7.971 0.105 19459 5795 1 9 . 1 1 81 81 GLN N N 81 116.732 116.732 120.603 -3.871 19459 5796 1 9 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.633 0.033 19459 5797 1 9 . 1 1 81 81 GLN C C 81 172.989 172.989 173.871 -0.882 19459 5798 1 9 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.103 1.398 19459 5799 1 9 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.526 -1.851 19459 5800 1 9 . 1 1 81 81 GLN H H 81 7.682 7.682 7.935 -0.253 19459 5801 1 9 . 1 1 82 82 PHE N N 82 119.773 119.773 124.151 -4.378 19459 5802 1 9 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.051 -0.171 19459 5803 1 9 . 1 1 82 82 PHE C C 82 173.680 173.680 176.705 -3.025 19459 5804 1 9 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.610 -0.925 19459 5805 1 9 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.189 0.930 19459 5806 1 9 . 1 1 82 82 PHE H H 82 8.615 8.615 8.002 0.613 19459 5807 1 9 . 1 1 83 83 GLY N N 83 119.507 119.507 114.858 4.649 19459 5808 1 9 . 1 1 83 83 GLY C C 83 174.662 174.662 173.729 0.933 19459 5809 1 9 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.388 0.103 19459 5810 1 9 . 1 1 83 83 GLY H H 83 9.086 9.086 8.355 0.731 19459 5811 1 9 . 1 1 84 84 SER N N 84 118.128 118.128 117.112 1.016 19459 5812 1 9 . 1 1 84 84 SER HA H 84 4.415 4.415 4.439 -0.024 19459 5813 1 9 . 1 1 84 84 SER C C 84 177.247 177.247 173.479 3.768 19459 5814 1 9 . 1 1 84 84 SER CA C 84 60.111 60.111 59.137 0.974 19459 5815 1 9 . 1 1 84 84 SER CB C 84 64.281 64.281 64.743 -0.463 19459 5816 1 9 . 1 1 84 84 SER H H 84 8.573 8.573 7.681 0.892 19459 5817 1 9 . 1 1 85 85 GLN N N 85 119.913 119.913 125.537 -5.624 19459 5818 1 9 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.842 -0.023 19459 5819 1 9 . 1 1 85 85 GLN C C 85 172.795 172.795 175.013 -2.218 19459 5820 1 9 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.002 0.163 19459 5821 1 9 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.297 0.447 19459 5822 1 9 . 1 1 85 85 GLN H H 85 8.211 8.211 8.486 -0.275 19459 5823 1 9 . 1 1 86 86 ILE N N 86 119.724 119.724 119.865 -0.141 19459 5824 1 9 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.557 0.200 19459 5825 1 9 . 1 1 86 86 ILE C C 86 174.969 174.969 173.368 1.601 19459 5826 1 9 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.880 0.947 19459 5827 1 9 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.159 -0.365 19459 5828 1 9 . 1 1 86 86 ILE H H 86 9.215 9.215 9.070 0.145 19459 5829 1 9 . 1 1 87 87 LYS N N 87 117.135 117.135 121.357 -4.222 19459 5830 1 9 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.839 0.396 19459 5831 1 9 . 1 1 87 87 LYS C C 87 174.599 174.599 175.432 -0.833 19459 5832 1 9 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.687 -0.974 19459 5833 1 9 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.574 2.253 19459 5834 1 9 . 1 1 87 87 LYS H H 87 7.600 7.600 8.352 -0.752 19459 5835 1 9 . 1 1 88 88 TYR N N 88 119.004 119.004 124.132 -5.128 19459 5836 1 9 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.873 0.549 19459 5837 1 9 . 1 1 88 88 TYR C C 88 174.407 174.407 175.097 -0.690 19459 5838 1 9 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.589 -0.653 19459 5839 1 9 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.976 4.983 19459 5840 1 9 . 1 1 88 88 TYR H H 88 8.601 8.601 8.977 -0.376 19459 5841 1 9 . 1 1 89 89 SER N N 89 113.228 113.228 117.898 -4.670 19459 5842 1 9 . 1 1 89 89 SER HA H 89 4.668 4.668 5.175 -0.507 19459 5843 1 9 . 1 1 89 89 SER C C 89 177.136 177.136 173.375 3.761 19459 5844 1 9 . 1 1 89 89 SER CA C 89 57.291 57.291 56.469 0.822 19459 5845 1 9 . 1 1 89 89 SER CB C 89 66.534 66.534 65.384 1.150 19459 5846 1 9 . 1 1 89 89 SER H H 89 9.007 9.007 7.866 1.141 19459 5847 1 9 . 1 1 90 90 CYS N N 90 116.009 116.009 123.428 -7.419 19459 5848 1 9 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.465 0.956 19459 5849 1 9 . 1 1 90 90 CYS C C 90 173.812 173.812 174.189 -0.377 19459 5850 1 9 . 1 1 90 90 CYS CA C 90 53.084 53.084 57.227 -4.144 19459 5851 1 9 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.156 14.248 19459 5852 1 9 . 1 1 90 90 CYS H H 90 8.806 8.806 7.651 1.155 19459 5853 1 9 . 1 1 91 91 THR N N 91 120.813 120.813 117.074 3.739 19459 5854 1 9 . 1 1 91 91 THR HA H 91 3.994 3.994 4.011 -0.017 19459 5855 1 9 . 1 1 91 91 THR C C 91 176.445 176.445 173.904 2.541 19459 5856 1 9 . 1 1 91 91 THR CA C 91 63.440 63.440 62.713 0.727 19459 5857 1 9 . 1 1 91 91 THR CB C 91 69.608 69.608 69.325 0.283 19459 5858 1 9 . 1 1 91 91 THR H H 91 8.737 8.737 7.386 1.351 19459 5859 1 9 . 1 1 92 92 LYS N N 92 124.963 124.963 125.313 -0.350 19459 5860 1 9 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.165 -0.061 19459 5861 1 9 . 1 1 92 92 LYS C C 92 172.310 172.310 177.893 -5.583 19459 5862 1 9 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.612 1.275 19459 5863 1 9 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.430 -0.291 19459 5864 1 9 . 1 1 92 92 LYS H H 92 8.325 8.325 8.347 -0.022 19459 5865 1 9 . 1 1 93 93 GLY N N 93 113.608 113.608 112.729 0.879 19459 5866 1 9 . 1 1 93 93 GLY C C 93 175.127 175.127 173.628 1.499 19459 5867 1 9 . 1 1 93 93 GLY CA C 93 44.711 44.711 45.439 -0.728 19459 5868 1 9 . 1 1 93 93 GLY H H 93 8.827 8.827 8.824 0.003 19459 5869 1 9 . 1 1 94 94 TYR N N 94 119.900 119.900 119.620 0.280 19459 5870 1 9 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.963 -0.321 19459 5871 1 9 . 1 1 94 94 TYR C C 94 174.548 174.548 173.806 0.742 19459 5872 1 9 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.893 1.265 19459 5873 1 9 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.548 -0.354 19459 5874 1 9 . 1 1 94 94 TYR H H 94 8.281 8.281 7.817 0.464 19459 5875 1 9 . 1 1 95 95 ARG N N 95 122.431 122.431 118.952 3.479 19459 5876 1 9 . 1 1 95 95 ARG HA H 95 4.528 4.528 3.989 0.539 19459 5877 1 9 . 1 1 95 95 ARG C C 95 175.179 175.179 173.485 1.694 19459 5878 1 9 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.184 0.369 19459 5879 1 9 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.320 -0.119 19459 5880 1 9 . 1 1 95 95 ARG H H 95 9.608 9.608 8.270 1.338 19459 5881 1 9 . 1 1 96 96 LEU N N 96 125.652 125.652 122.929 2.723 19459 5882 1 9 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.889 -0.227 19459 5883 1 9 . 1 1 96 96 LEU C C 96 172.420 172.420 176.434 -4.014 19459 5884 1 9 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.852 2.651 19459 5885 1 9 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.934 -1.128 19459 5886 1 9 . 1 1 96 96 LEU H H 96 8.231 8.231 8.196 0.035 19459 5887 1 9 . 1 1 97 97 ILE N N 97 131.597 131.597 124.972 6.625 19459 5888 1 9 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.938 0.302 19459 5889 1 9 . 1 1 97 97 ILE C C 97 174.158 174.158 176.779 -2.621 19459 5890 1 9 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.204 -1.035 19459 5891 1 9 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.609 0.194 19459 5892 1 9 . 1 1 97 97 ILE H H 97 9.661 9.661 7.995 1.666 19459 5893 1 9 . 1 1 98 98 GLY N N 98 116.731 116.731 107.018 9.713 19459 5894 1 9 . 1 1 98 98 GLY C C 98 176.923 176.923 173.666 3.257 19459 5895 1 9 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.458 -0.394 19459 5896 1 9 . 1 1 98 98 GLY H H 98 8.465 8.465 7.526 0.939 19459 5897 1 9 . 1 1 99 99 SER N N 99 116.632 116.632 114.700 1.932 19459 5898 1 9 . 1 1 99 99 SER HA H 99 4.509 4.509 4.465 0.044 19459 5899 1 9 . 1 1 99 99 SER C C 99 175.013 175.013 175.832 -0.819 19459 5900 1 9 . 1 1 99 99 SER CA C 99 58.328 58.328 58.604 -0.276 19459 5901 1 9 . 1 1 99 99 SER CB C 99 63.996 63.996 63.867 0.129 19459 5902 1 9 . 1 1 99 99 SER H H 99 8.759 8.759 8.546 0.213 19459 5903 1 9 . 1 1 100 100 SER N N 100 116.696 116.696 119.654 -2.958 19459 5904 1 9 . 1 1 100 100 SER HA H 100 4.447 4.447 4.830 -0.383 19459 5905 1 9 . 1 1 100 100 SER C C 100 175.403 175.403 174.619 0.784 19459 5906 1 9 . 1 1 100 100 SER CA C 100 59.209 59.209 58.690 0.519 19459 5907 1 9 . 1 1 100 100 SER CB C 100 64.035 64.035 63.575 0.460 19459 5908 1 9 . 1 1 100 100 SER H H 100 8.617 8.617 8.702 -0.085 19459 5909 1 9 . 1 1 101 101 SER N N 101 115.247 115.247 115.414 -0.167 19459 5910 1 9 . 1 1 101 101 SER HA H 101 5.346 5.346 5.253 0.093 19459 5911 1 9 . 1 1 101 101 SER C C 101 176.888 176.888 172.268 4.620 19459 5912 1 9 . 1 1 101 101 SER CA C 101 57.021 57.021 57.413 -0.392 19459 5913 1 9 . 1 1 101 101 SER CB C 101 66.391 66.391 66.368 0.023 19459 5914 1 9 . 1 1 101 101 SER H H 101 7.952 7.952 7.535 0.417 19459 5915 1 9 . 1 1 102 102 ALA N N 102 121.438 121.438 122.245 -0.807 19459 5916 1 9 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.482 -0.395 19459 5917 1 9 . 1 1 102 102 ALA C C 102 173.807 173.807 176.192 -2.385 19459 5918 1 9 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.824 0.999 19459 5919 1 9 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.761 1.310 19459 5920 1 9 . 1 1 102 102 ALA H H 102 8.286 8.286 8.904 -0.618 19459 5921 1 9 . 1 1 103 103 THR N N 103 118.007 118.007 119.274 -1.267 19459 5922 1 9 . 1 1 103 103 THR HA H 103 5.560 5.560 5.410 0.150 19459 5923 1 9 . 1 1 103 103 THR C C 103 176.159 176.159 173.708 2.451 19459 5924 1 9 . 1 1 103 103 THR CA C 103 61.342 61.342 61.427 -0.085 19459 5925 1 9 . 1 1 103 103 THR CB C 103 71.171 71.171 71.004 0.167 19459 5926 1 9 . 1 1 103 103 THR H H 103 9.636 9.636 9.848 -0.212 19459 5927 1 9 . 1 1 104 104 CYS N N 104 127.602 127.602 128.752 -1.150 19459 5928 1 9 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.848 -0.482 19459 5929 1 9 . 1 1 104 104 CYS C C 104 174.892 174.892 173.562 1.330 19459 5930 1 9 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.661 -2.183 19459 5931 1 9 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.034 13.151 19459 5932 1 9 . 1 1 104 104 CYS H H 104 8.338 8.338 8.863 -0.525 19459 5933 1 9 . 1 1 105 105 ILE N N 105 126.775 126.775 123.870 2.905 19459 5934 1 9 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.082 -0.173 19459 5935 1 9 . 1 1 105 105 ILE C C 105 174.390 174.390 173.736 0.654 19459 5936 1 9 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.896 1.325 19459 5937 1 9 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.907 0.614 19459 5938 1 9 . 1 1 105 105 ILE H H 105 9.375 9.375 9.224 0.151 19459 5939 1 9 . 1 1 106 106 ILE N N 106 118.256 118.256 122.114 -3.858 19459 5940 1 9 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.124 -0.054 19459 5941 1 9 . 1 1 106 106 ILE C C 106 172.560 172.560 177.167 -4.607 19459 5942 1 9 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.429 1.460 19459 5943 1 9 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.411 3.274 19459 5944 1 9 . 1 1 106 106 ILE H H 106 8.041 8.041 8.733 -0.692 19459 5945 1 9 . 1 1 107 107 SER N N 107 120.167 120.167 124.940 -4.773 19459 5946 1 9 . 1 1 107 107 SER HA H 107 4.376 4.376 4.334 0.042 19459 5947 1 9 . 1 1 107 107 SER C C 107 174.594 174.594 175.252 -0.658 19459 5948 1 9 . 1 1 107 107 SER CA C 107 57.111 57.111 59.868 -2.757 19459 5949 1 9 . 1 1 107 107 SER CB C 107 63.835 63.835 64.128 -0.293 19459 5950 1 9 . 1 1 107 107 SER H H 107 8.013 8.013 9.032 -1.019 19459 5951 1 9 . 1 1 108 108 GLY N N 108 119.089 119.089 110.672 8.417 19459 5952 1 9 . 1 1 108 108 GLY C C 108 174.665 174.665 175.463 -0.798 19459 5953 1 9 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.538 1.950 19459 5954 1 9 . 1 1 108 108 GLY H H 108 9.116 9.116 7.536 1.580 19459 5955 1 9 . 1 1 109 109 ASP N N 109 127.143 127.143 123.394 3.749 19459 5956 1 9 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.528 0.233 19459 5957 1 9 . 1 1 109 109 ASP C C 109 173.724 173.724 176.843 -3.119 19459 5958 1 9 . 1 1 109 109 ASP CA C 109 53.723 53.723 56.218 -2.494 19459 5959 1 9 . 1 1 109 109 ASP CB C 109 41.232 41.232 40.994 0.238 19459 5960 1 9 . 1 1 109 109 ASP H H 109 8.845 8.845 8.543 0.302 19459 5961 1 9 . 1 1 110 110 THR N N 110 115.044 115.044 110.316 4.728 19459 5962 1 9 . 1 1 110 110 THR HA H 110 4.663 4.663 4.509 0.154 19459 5963 1 9 . 1 1 110 110 THR C C 110 175.636 175.636 172.477 3.159 19459 5964 1 9 . 1 1 110 110 THR CA C 110 58.612 58.612 60.983 -2.371 19459 5965 1 9 . 1 1 110 110 THR CB C 110 71.146 71.146 71.595 -0.449 19459 5966 1 9 . 1 1 110 110 THR H H 110 8.134 8.134 7.395 0.739 19459 5967 1 9 . 1 1 111 111 VAL N N 111 115.728 115.728 119.260 -3.532 19459 5968 1 9 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.968 0.347 19459 5969 1 9 . 1 1 111 111 VAL C C 111 174.752 174.752 174.289 0.463 19459 5970 1 9 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.209 -1.567 19459 5971 1 9 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.675 1.149 19459 5972 1 9 . 1 1 111 111 VAL H H 111 8.310 8.310 8.441 -0.131 19459 5973 1 9 . 1 1 112 112 ILE N N 112 117.116 117.116 118.966 -1.850 19459 5974 1 9 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.677 -0.171 19459 5975 1 9 . 1 1 112 112 ILE C C 112 174.637 174.637 174.364 0.273 19459 5976 1 9 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.104 0.391 19459 5977 1 9 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.910 1.281 19459 5978 1 9 . 1 1 112 112 ILE H H 112 8.945 8.945 8.706 0.239 19459 5979 1 9 . 1 1 113 113 TRP N N 113 121.755 121.755 121.169 0.586 19459 5980 1 9 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.005 0.102 19459 5981 1 9 . 1 1 113 113 TRP C C 113 170.413 170.413 176.926 -6.513 19459 5982 1 9 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.739 -0.361 19459 5983 1 9 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.126 -0.830 19459 5984 1 9 . 1 1 113 113 TRP H H 113 7.567 7.567 8.696 -1.129 19459 5985 1 9 . 1 1 114 114 ASP N N 114 123.286 123.286 119.242 4.044 19459 5986 1 9 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.509 -0.302 19459 5987 1 9 . 1 1 114 114 ASP C C 114 174.083 174.083 176.586 -2.503 19459 5988 1 9 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.668 0.733 19459 5989 1 9 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.914 -0.765 19459 5990 1 9 . 1 1 114 114 ASP H H 114 9.451 9.451 8.647 0.804 19459 5991 1 9 . 1 1 115 115 GLN N N 115 116.139 116.139 119.516 -3.377 19459 5992 1 9 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.191 0.554 19459 5993 1 9 . 1 1 115 115 GLN C C 115 173.639 173.639 177.190 -3.551 19459 5994 1 9 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.502 -3.320 19459 5995 1 9 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.724 3.599 19459 5996 1 9 . 1 1 115 115 GLN H H 115 7.305 7.305 7.996 -0.691 19459 5997 1 9 . 1 1 116 116 GLU N N 116 120.881 120.881 124.189 -3.308 19459 5998 1 9 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.216 0.114 19459 5999 1 9 . 1 1 116 116 GLU C C 116 173.578 173.578 176.367 -2.789 19459 6000 1 9 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.004 -2.847 19459 6001 1 9 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.046 0.169 19459 6002 1 9 . 1 1 116 116 GLU H H 116 8.615 8.615 8.687 -0.072 19459 6003 1 9 . 1 1 117 117 THR N N 117 119.889 119.889 111.067 8.822 19459 6004 1 9 . 1 1 117 117 THR HA H 117 3.609 3.609 4.308 -0.699 19459 6005 1 9 . 1 1 117 117 THR C C 117 176.699 176.699 171.670 5.029 19459 6006 1 9 . 1 1 117 117 THR CA C 117 61.757 61.757 60.748 1.009 19459 6007 1 9 . 1 1 117 117 THR CB C 117 69.799 69.799 69.896 -0.097 19459 6008 1 9 . 1 1 117 117 THR H H 117 8.075 8.075 7.536 0.539 19459 6009 1 9 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.293 0.239 19459 6010 1 9 . 1 1 118 118 PRO C C 118 175.300 175.300 175.933 -0.633 19459 6011 1 9 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.502 -0.142 19459 6012 1 9 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.977 0.912 19459 6013 1 9 . 1 1 119 119 ILE N N 119 114.729 114.729 122.995 -8.266 19459 6014 1 9 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.297 -0.010 19459 6015 1 9 . 1 1 119 119 ILE C C 119 174.748 174.748 175.188 -0.440 19459 6016 1 9 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.321 -1.079 19459 6017 1 9 . 1 1 119 119 ILE CB C 119 41.184 41.184 40.904 0.280 19459 6018 1 9 . 1 1 119 119 ILE H H 119 7.874 7.874 8.002 -0.128 19459 6019 1 9 . 1 1 120 120 CYS N N 120 123.444 123.444 128.296 -4.852 19459 6020 1 9 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.899 0.651 19459 6021 1 9 . 1 1 120 120 CYS C C 120 175.583 175.583 175.473 0.110 19459 6022 1 9 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.718 -5.024 19459 6023 1 9 . 1 1 120 120 CYS CB C 120 41.450 41.450 26.793 14.658 19459 6024 1 9 . 1 1 120 120 CYS H H 120 8.583 8.583 8.908 -0.325 19459 6025 1 9 . 1 1 121 121 ASP N N 121 124.459 124.459 125.321 -0.862 19459 6026 1 9 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.517 0.790 19459 6027 1 9 . 1 1 121 121 ASP C C 121 174.495 174.495 176.114 -1.619 19459 6028 1 9 . 1 1 121 121 ASP CA C 121 52.217 52.217 54.906 -2.689 19459 6029 1 9 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.495 2.908 19459 6030 1 9 . 1 1 121 121 ASP H H 121 9.309 9.309 8.596 0.713 19459 6031 1 10 . 1 1 2 2 CYS N N 2 117.967 117.967 119.478 -1.511 19459 6032 1 10 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.366 0.161 19459 6033 1 10 . 1 1 2 2 CYS C C 2 174.023 174.023 175.076 -1.053 19459 6034 1 10 . 1 1 2 2 CYS CA C 2 58.972 58.972 60.988 -2.016 19459 6035 1 10 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.399 17.660 19459 6036 1 10 . 1 1 2 2 CYS H H 2 9.327 9.327 8.385 0.942 19459 6037 1 10 . 1 1 3 3 ASN N N 3 119.722 119.722 114.758 4.964 19459 6038 1 10 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.361 0.888 19459 6039 1 10 . 1 1 3 3 ASN C C 3 175.027 175.027 174.603 0.424 19459 6040 1 10 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.752 -1.239 19459 6041 1 10 . 1 1 3 3 ASN CB C 3 39.643 39.643 36.618 3.025 19459 6042 1 10 . 1 1 3 3 ASN H H 3 8.686 8.686 8.548 0.138 19459 6043 1 10 . 1 1 4 4 ALA N N 4 122.403 122.403 119.140 3.263 19459 6044 1 10 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.597 -0.168 19459 6045 1 10 . 1 1 4 4 ALA C C 4 173.517 173.517 175.465 -1.948 19459 6046 1 10 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.216 -0.403 19459 6047 1 10 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.274 -1.287 19459 6048 1 10 . 1 1 4 4 ALA H H 4 8.401 8.401 8.078 0.323 19459 6049 1 10 . 1 1 5 5 PRO HA H 5 3.908 3.908 3.434 0.473 19459 6050 1 10 . 1 1 5 5 PRO C C 5 172.806 172.806 175.969 -3.163 19459 6051 1 10 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.753 -1.302 19459 6052 1 10 . 1 1 5 5 PRO CB C 5 31.552 31.552 31.914 -0.362 19459 6053 1 10 . 1 1 6 6 GLU N N 6 121.296 121.296 112.882 8.414 19459 6054 1 10 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.372 -0.181 19459 6055 1 10 . 1 1 6 6 GLU C C 6 172.835 172.835 174.035 -1.200 19459 6056 1 10 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.901 0.274 19459 6057 1 10 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.714 0.250 19459 6058 1 10 . 1 1 6 6 GLU H H 6 8.443 8.443 7.913 0.530 19459 6059 1 10 . 1 1 7 7 TRP N N 7 124.746 124.746 122.720 2.026 19459 6060 1 10 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.980 -1.048 19459 6061 1 10 . 1 1 7 7 TRP C C 7 174.236 174.236 174.283 -0.047 19459 6062 1 10 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.693 3.220 19459 6063 1 10 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.253 -1.220 19459 6064 1 10 . 1 1 7 7 TRP H H 7 8.674 8.674 8.342 0.332 19459 6065 1 10 . 1 1 8 8 LEU N N 8 125.782 125.782 129.053 -3.271 19459 6066 1 10 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.166 0.390 19459 6067 1 10 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.783 -0.818 19459 6068 1 10 . 1 1 8 8 LEU CB C 8 42.893 42.893 44.020 -1.127 19459 6069 1 10 . 1 1 8 8 LEU H H 8 7.922 7.922 8.172 -0.250 19459 6070 1 10 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.732 -0.134 19459 6071 1 10 . 1 1 9 9 PRO C C 9 172.961 172.961 177.316 -4.355 19459 6072 1 10 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.325 -0.785 19459 6073 1 10 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.445 -0.008 19459 6074 1 10 . 1 1 10 10 PHE N N 10 106.863 106.863 115.954 -9.091 19459 6075 1 10 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.257 -0.648 19459 6076 1 10 . 1 1 10 10 PHE C C 10 175.535 175.535 175.707 -0.172 19459 6077 1 10 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.123 -3.266 19459 6078 1 10 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.651 3.124 19459 6079 1 10 . 1 1 10 10 PHE H H 10 5.588 5.588 7.172 -1.584 19459 6080 1 10 . 1 1 11 11 ALA N N 11 121.214 121.214 118.887 2.327 19459 6081 1 10 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.053 0.090 19459 6082 1 10 . 1 1 11 11 ALA C C 11 175.918 175.918 176.485 -0.567 19459 6083 1 10 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.718 1.150 19459 6084 1 10 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.785 2.945 19459 6085 1 10 . 1 1 11 11 ALA H H 11 6.349 6.349 7.048 -0.699 19459 6086 1 10 . 1 1 12 12 ARG N N 12 117.160 117.160 119.771 -2.611 19459 6087 1 10 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.816 -0.119 19459 6088 1 10 . 1 1 12 12 ARG C C 12 178.499 178.499 173.563 4.936 19459 6089 1 10 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.244 1.621 19459 6090 1 10 . 1 1 12 12 ARG H H 12 9.219 9.219 8.272 0.947 19459 6091 1 10 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.687 -1.018 19459 6092 1 10 . 1 1 13 13 PRO C C 13 171.555 171.555 177.238 -5.683 19459 6093 1 10 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.327 -0.946 19459 6094 1 10 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.188 -0.640 19459 6095 1 10 . 1 1 14 14 THR N N 14 112.823 112.823 115.592 -2.769 19459 6096 1 10 . 1 1 14 14 THR HA H 14 3.905 3.905 4.301 -0.396 19459 6097 1 10 . 1 1 14 14 THR C C 14 174.364 174.364 175.049 -0.685 19459 6098 1 10 . 1 1 14 14 THR CA C 14 63.180 63.180 62.897 0.283 19459 6099 1 10 . 1 1 14 14 THR CB C 14 68.154 68.154 69.125 -0.971 19459 6100 1 10 . 1 1 14 14 THR H H 14 8.062 8.062 8.219 -0.157 19459 6101 1 10 . 1 1 15 15 GLN N N 15 119.736 119.736 117.689 2.047 19459 6102 1 10 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.537 -0.036 19459 6103 1 10 . 1 1 15 15 GLN C C 15 174.815 174.815 175.552 -0.737 19459 6104 1 10 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.896 -2.529 19459 6105 1 10 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.155 1.961 19459 6106 1 10 . 1 1 15 15 GLN H H 15 7.758 7.758 8.217 -0.459 19459 6107 1 10 . 1 1 16 16 LEU N N 16 124.583 124.583 118.372 6.211 19459 6108 1 10 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.547 -0.186 19459 6109 1 10 . 1 1 16 16 LEU C C 16 172.167 172.167 176.762 -4.595 19459 6110 1 10 . 1 1 16 16 LEU CA C 16 55.297 55.297 54.934 0.363 19459 6111 1 10 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.764 0.270 19459 6112 1 10 . 1 1 16 16 LEU H H 16 8.458 8.458 7.750 0.708 19459 6113 1 10 . 1 1 17 17 THR N N 17 116.730 116.730 114.082 2.648 19459 6114 1 10 . 1 1 17 17 THR HA H 17 4.633 4.633 3.933 0.700 19459 6115 1 10 . 1 1 17 17 THR C C 17 175.703 175.703 175.213 0.490 19459 6116 1 10 . 1 1 17 17 THR CA C 17 60.358 60.358 65.080 -4.722 19459 6117 1 10 . 1 1 17 17 THR CB C 17 70.110 70.110 68.893 1.217 19459 6118 1 10 . 1 1 17 17 THR H H 17 8.325 8.325 7.822 0.503 19459 6119 1 10 . 1 1 18 18 ASP N N 18 122.839 122.839 115.638 7.201 19459 6120 1 10 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.864 -0.122 19459 6121 1 10 . 1 1 18 18 ASP C C 18 173.642 173.642 176.219 -2.577 19459 6122 1 10 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.428 -1.216 19459 6123 1 10 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.097 -1.175 19459 6124 1 10 . 1 1 18 18 ASP H H 18 8.487 8.487 8.102 0.385 19459 6125 1 10 . 1 1 19 19 GLU N N 19 120.523 120.523 118.691 1.832 19459 6126 1 10 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.234 -0.161 19459 6127 1 10 . 1 1 19 19 GLU C C 19 174.249 174.249 176.958 -2.709 19459 6128 1 10 . 1 1 19 19 GLU CA C 19 56.150 56.150 57.377 -1.227 19459 6129 1 10 . 1 1 19 19 GLU CB C 19 29.343 29.343 30.057 -0.714 19459 6130 1 10 . 1 1 19 19 GLU H H 19 7.931 7.931 7.629 0.302 19459 6131 1 10 . 1 1 20 20 PHE N N 20 118.500 118.500 112.861 5.639 19459 6132 1 10 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.246 0.500 19459 6133 1 10 . 1 1 20 20 PHE C C 20 174.885 174.885 174.547 0.338 19459 6134 1 10 . 1 1 20 20 PHE CA C 20 57.514 57.514 60.321 -2.807 19459 6135 1 10 . 1 1 20 20 PHE CB C 20 40.483 40.483 38.319 2.164 19459 6136 1 10 . 1 1 20 20 PHE H H 20 8.279 8.279 8.055 0.224 19459 6137 1 10 . 1 1 21 21 GLU N N 21 117.080 117.080 118.684 -1.604 19459 6138 1 10 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.677 0.333 19459 6139 1 10 . 1 1 21 21 GLU C C 21 174.900 174.900 175.187 -0.287 19459 6140 1 10 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.277 -1.004 19459 6141 1 10 . 1 1 21 21 GLU CB C 21 31.373 31.373 32.097 -0.724 19459 6142 1 10 . 1 1 21 21 GLU H H 21 7.022 7.022 7.698 -0.676 19459 6143 1 10 . 1 1 22 22 PHE N N 22 119.655 119.655 121.092 -1.437 19459 6144 1 10 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.925 0.044 19459 6145 1 10 . 1 1 22 22 PHE C C 22 176.708 176.708 172.989 3.719 19459 6146 1 10 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.356 -0.580 19459 6147 1 10 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.138 -0.392 19459 6148 1 10 . 1 1 22 22 PHE H H 22 8.974 8.974 8.365 0.609 19459 6149 1 10 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.519 0.069 19459 6150 1 10 . 1 1 23 23 PRO C C 23 171.163 171.163 175.861 -4.698 19459 6151 1 10 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.713 -0.296 19459 6152 1 10 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.187 0.468 19459 6153 1 10 . 1 1 24 24 ILE N N 24 123.238 123.238 120.821 2.417 19459 6154 1 10 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.777 -0.367 19459 6155 1 10 . 1 1 24 24 ILE C C 24 172.283 172.283 177.464 -5.181 19459 6156 1 10 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.231 1.815 19459 6157 1 10 . 1 1 24 24 ILE CB C 24 37.449 37.449 38.079 -0.630 19459 6158 1 10 . 1 1 24 24 ILE H H 24 8.199 8.199 8.237 -0.038 19459 6159 1 10 . 1 1 25 25 GLY N N 25 115.962 115.962 113.913 2.049 19459 6160 1 10 . 1 1 25 25 GLY C C 25 174.927 174.927 173.302 1.625 19459 6161 1 10 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.841 -0.418 19459 6162 1 10 . 1 1 25 25 GLY H H 25 9.061 9.061 8.418 0.642 19459 6163 1 10 . 1 1 26 26 THR N N 26 117.152 117.152 112.959 4.193 19459 6164 1 10 . 1 1 26 26 THR HA H 26 4.081 4.081 4.739 -0.658 19459 6165 1 10 . 1 1 26 26 THR C C 26 176.723 176.723 172.840 3.883 19459 6166 1 10 . 1 1 26 26 THR CA C 26 65.711 65.711 59.885 5.826 19459 6167 1 10 . 1 1 26 26 THR CB C 26 70.084 70.084 70.942 -0.858 19459 6168 1 10 . 1 1 26 26 THR H H 26 7.704 7.704 7.452 0.252 19459 6169 1 10 . 1 1 27 27 TYR N N 27 125.094 125.094 122.899 2.195 19459 6170 1 10 . 1 1 27 27 TYR HA H 27 5.792 5.792 5.181 0.611 19459 6171 1 10 . 1 1 27 27 TYR C C 27 173.835 173.835 175.647 -1.812 19459 6172 1 10 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.633 -1.770 19459 6173 1 10 . 1 1 27 27 TYR CB C 27 40.876 40.876 40.176 0.700 19459 6174 1 10 . 1 1 27 27 TYR H H 27 8.542 8.542 8.733 -0.191 19459 6175 1 10 . 1 1 28 28 LEU N N 28 120.714 120.714 124.085 -3.371 19459 6176 1 10 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.899 -0.115 19459 6177 1 10 . 1 1 28 28 LEU C C 28 172.808 172.808 175.880 -3.072 19459 6178 1 10 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.139 0.044 19459 6179 1 10 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.301 0.637 19459 6180 1 10 . 1 1 28 28 LEU H H 28 9.000 9.000 8.426 0.574 19459 6181 1 10 . 1 1 29 29 ASN N N 29 121.617 121.617 120.595 1.022 19459 6182 1 10 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.915 -0.015 19459 6183 1 10 . 1 1 29 29 ASN C C 29 174.783 174.783 173.848 0.935 19459 6184 1 10 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.237 1.995 19459 6185 1 10 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.731 0.460 19459 6186 1 10 . 1 1 29 29 ASN H H 29 8.544 8.544 9.073 -0.529 19459 6187 1 10 . 1 1 30 30 TYR N N 30 126.738 126.738 124.342 2.396 19459 6188 1 10 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.615 0.071 19459 6189 1 10 . 1 1 30 30 TYR C C 30 174.911 174.911 174.811 0.100 19459 6190 1 10 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.209 -0.307 19459 6191 1 10 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.593 4.249 19459 6192 1 10 . 1 1 30 30 TYR H H 30 9.324 9.324 7.960 1.364 19459 6193 1 10 . 1 1 31 31 GLU N N 31 114.116 114.116 121.923 -7.807 19459 6194 1 10 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.659 0.051 19459 6195 1 10 . 1 1 31 31 GLU C C 31 173.694 173.694 174.559 -0.865 19459 6196 1 10 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.917 -1.798 19459 6197 1 10 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.251 -0.625 19459 6198 1 10 . 1 1 31 31 GLU H H 31 8.553 8.553 8.489 0.064 19459 6199 1 10 . 1 1 32 32 CYS N N 32 121.086 121.086 122.731 -1.645 19459 6200 1 10 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.957 0.094 19459 6201 1 10 . 1 1 32 32 CYS C C 32 173.553 173.553 175.410 -1.857 19459 6202 1 10 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.331 -3.850 19459 6203 1 10 . 1 1 32 32 CYS CB C 32 37.487 37.487 29.453 8.034 19459 6204 1 10 . 1 1 32 32 CYS H H 32 9.784 9.784 8.918 0.866 19459 6205 1 10 . 1 1 33 33 ARG N N 33 123.418 123.418 122.644 0.774 19459 6206 1 10 . 1 1 33 33 ARG C C 33 176.822 176.822 174.821 2.001 19459 6207 1 10 . 1 1 33 33 ARG CA C 33 56.311 56.311 54.177 2.134 19459 6208 1 10 . 1 1 33 33 ARG CB C 33 29.343 29.343 30.948 -1.605 19459 6209 1 10 . 1 1 33 33 ARG H H 33 7.898 7.898 8.974 -1.076 19459 6210 1 10 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.322 0.058 19459 6211 1 10 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.290 0.765 19459 6212 1 10 . 1 1 34 34 PRO CB C 34 31.335 31.335 32.136 -0.801 19459 6213 1 10 . 1 1 35 35 GLY N N 35 111.039 111.039 108.513 2.526 19459 6214 1 10 . 1 1 35 35 GLY C C 35 177.546 177.546 173.778 3.768 19459 6215 1 10 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.780 -0.881 19459 6216 1 10 . 1 1 35 35 GLY H H 35 8.378 8.378 8.548 -0.170 19459 6217 1 10 . 1 1 36 36 TYR N N 36 116.682 116.682 119.725 -3.043 19459 6218 1 10 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.579 0.442 19459 6219 1 10 . 1 1 36 36 TYR C C 36 174.005 174.005 176.292 -2.287 19459 6220 1 10 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.819 -0.324 19459 6221 1 10 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.958 2.023 19459 6222 1 10 . 1 1 36 36 TYR H H 36 8.175 8.175 7.144 1.031 19459 6223 1 10 . 1 1 37 37 SER N N 37 115.855 115.855 117.272 -1.417 19459 6224 1 10 . 1 1 37 37 SER HA H 37 4.819 4.819 4.129 0.690 19459 6225 1 10 . 1 1 37 37 SER C C 37 175.442 175.442 175.915 -0.473 19459 6226 1 10 . 1 1 37 37 SER CA C 37 56.534 56.534 61.211 -4.677 19459 6227 1 10 . 1 1 37 37 SER CB C 37 65.642 65.642 63.468 2.174 19459 6228 1 10 . 1 1 37 37 SER H H 37 9.711 9.711 8.420 1.291 19459 6229 1 10 . 1 1 38 38 GLY N N 38 113.435 113.435 108.983 4.452 19459 6230 1 10 . 1 1 38 38 GLY C C 38 175.876 175.876 173.573 2.303 19459 6231 1 10 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.349 0.919 19459 6232 1 10 . 1 1 38 38 GLY H H 38 8.288 8.288 7.878 0.410 19459 6233 1 10 . 1 1 39 39 ARG N N 39 124.199 124.199 118.176 6.023 19459 6234 1 10 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.549 0.190 19459 6235 1 10 . 1 1 39 39 ARG C C 39 175.413 175.413 173.580 1.833 19459 6236 1 10 . 1 1 39 39 ARG CA C 39 54.740 54.740 51.884 2.856 19459 6237 1 10 . 1 1 39 39 ARG CB C 39 29.634 29.634 29.312 0.322 19459 6238 1 10 . 1 1 39 39 ARG H H 39 8.350 8.350 8.455 -0.105 19459 6239 1 10 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.257 0.401 19459 6240 1 10 . 1 1 40 40 PRO C C 40 173.702 173.702 175.270 -1.568 19459 6241 1 10 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.073 1.397 19459 6242 1 10 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.905 0.282 19459 6243 1 10 . 1 1 41 41 PHE N N 41 118.388 118.388 120.999 -2.611 19459 6244 1 10 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.741 0.422 19459 6245 1 10 . 1 1 41 41 PHE C C 41 176.886 176.886 174.795 2.091 19459 6246 1 10 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.959 -0.393 19459 6247 1 10 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.667 -1.403 19459 6248 1 10 . 1 1 41 41 PHE H H 41 8.017 8.017 7.904 0.113 19459 6249 1 10 . 1 1 42 42 SER N N 42 114.056 114.056 117.117 -3.061 19459 6250 1 10 . 1 1 42 42 SER HA H 42 5.771 5.771 5.181 0.590 19459 6251 1 10 . 1 1 42 42 SER C C 42 174.978 174.978 174.597 0.381 19459 6252 1 10 . 1 1 42 42 SER CA C 42 56.668 56.668 58.251 -1.583 19459 6253 1 10 . 1 1 42 42 SER CB C 42 66.152 66.152 64.195 1.956 19459 6254 1 10 . 1 1 42 42 SER H H 42 8.540 8.540 8.470 0.070 19459 6255 1 10 . 1 1 43 43 ILE N N 43 115.669 115.669 117.292 -1.623 19459 6256 1 10 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.677 0.388 19459 6257 1 10 . 1 1 43 43 ILE C C 43 174.535 174.535 174.492 0.043 19459 6258 1 10 . 1 1 43 43 ILE CA C 43 60.044 60.044 59.626 0.418 19459 6259 1 10 . 1 1 43 43 ILE CB C 43 40.355 40.355 40.997 -0.642 19459 6260 1 10 . 1 1 43 43 ILE H H 43 8.637 8.637 7.835 0.802 19459 6261 1 10 . 1 1 44 44 ILE N N 44 120.215 120.215 121.783 -1.568 19459 6262 1 10 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.066 0.220 19459 6263 1 10 . 1 1 44 44 ILE C C 44 174.033 174.033 177.206 -3.173 19459 6264 1 10 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.229 0.427 19459 6265 1 10 . 1 1 44 44 ILE CB C 44 42.330 42.330 41.342 0.988 19459 6266 1 10 . 1 1 44 44 ILE H H 44 8.687 8.687 7.702 0.985 19459 6267 1 10 . 1 1 45 45 CYS N N 45 126.257 126.257 125.654 0.603 19459 6268 1 10 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.628 0.124 19459 6269 1 10 . 1 1 45 45 CYS C C 45 174.946 174.946 176.187 -1.241 19459 6270 1 10 . 1 1 45 45 CYS CA C 45 55.066 55.066 58.827 -3.761 19459 6271 1 10 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.311 15.300 19459 6272 1 10 . 1 1 45 45 CYS H H 45 7.993 7.993 8.602 -0.609 19459 6273 1 10 . 1 1 46 46 LEU N N 46 132.514 132.514 122.326 10.188 19459 6274 1 10 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.992 0.424 19459 6275 1 10 . 1 1 46 46 LEU C C 46 172.195 172.195 177.016 -4.821 19459 6276 1 10 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.045 -2.701 19459 6277 1 10 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.071 2.133 19459 6278 1 10 . 1 1 46 46 LEU H H 46 8.826 8.826 8.135 0.691 19459 6279 1 10 . 1 1 47 47 LYS N N 47 115.254 115.254 118.261 -3.007 19459 6280 1 10 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.343 -0.355 19459 6281 1 10 . 1 1 47 47 LYS C C 47 173.781 173.781 175.944 -2.163 19459 6282 1 10 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.623 2.360 19459 6283 1 10 . 1 1 47 47 LYS CB C 47 31.208 31.208 33.292 -2.084 19459 6284 1 10 . 1 1 47 47 LYS H H 47 7.949 7.949 7.607 0.342 19459 6285 1 10 . 1 1 48 48 ASN N N 48 115.283 115.283 125.009 -9.726 19459 6286 1 10 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.350 0.186 19459 6287 1 10 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.828 -0.288 19459 6288 1 10 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.483 -1.111 19459 6289 1 10 . 1 1 48 48 ASN H H 48 8.432 8.432 9.418 -0.986 19459 6290 1 10 . 1 1 49 49 SER N N 49 110.595 110.595 106.890 3.705 19459 6291 1 10 . 1 1 49 49 SER HA H 49 3.969 3.969 3.849 0.120 19459 6292 1 10 . 1 1 49 49 SER CA C 49 59.790 59.790 59.750 0.040 19459 6293 1 10 . 1 1 49 49 SER CB C 49 60.870 60.870 61.840 -0.970 19459 6294 1 10 . 1 1 49 49 SER H H 49 8.457 8.457 8.453 0.004 19459 6295 1 10 . 1 1 50 50 VAL N N 50 117.680 117.680 116.656 1.024 19459 6296 1 10 . 1 1 50 50 VAL HA H 50 4.333 4.333 4.098 0.235 19459 6297 1 10 . 1 1 50 50 VAL C C 50 175.347 175.347 175.659 -0.312 19459 6298 1 10 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.677 -3.793 19459 6299 1 10 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.449 2.388 19459 6300 1 10 . 1 1 50 50 VAL H H 50 6.840 6.840 7.799 -0.959 19459 6301 1 10 . 1 1 51 51 TRP N N 51 123.510 123.510 115.722 7.788 19459 6302 1 10 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.342 0.980 19459 6303 1 10 . 1 1 51 51 TRP C C 51 170.736 170.736 177.119 -6.383 19459 6304 1 10 . 1 1 51 51 TRP CA C 51 55.937 55.937 58.127 -2.191 19459 6305 1 10 . 1 1 51 51 TRP CB C 51 30.791 30.791 27.896 2.895 19459 6306 1 10 . 1 1 51 51 TRP H H 51 8.310 8.310 7.288 1.022 19459 6307 1 10 . 1 1 52 52 THR N N 52 115.962 115.962 112.764 3.198 19459 6308 1 10 . 1 1 52 52 THR HA H 52 4.656 4.656 4.141 0.515 19459 6309 1 10 . 1 1 52 52 THR C C 52 175.780 175.780 175.350 0.430 19459 6310 1 10 . 1 1 52 52 THR CA C 52 61.376 61.376 63.441 -2.065 19459 6311 1 10 . 1 1 52 52 THR CB C 52 70.723 70.723 69.341 1.382 19459 6312 1 10 . 1 1 52 52 THR H H 52 9.026 9.026 8.534 0.492 19459 6313 1 10 . 1 1 53 53 GLY N N 53 108.521 108.521 108.559 -0.038 19459 6314 1 10 . 1 1 53 53 GLY C C 53 174.881 174.881 173.708 1.173 19459 6315 1 10 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.652 0.692 19459 6316 1 10 . 1 1 53 53 GLY H H 53 8.292 8.292 7.538 0.754 19459 6317 1 10 . 1 1 54 54 ALA N N 54 121.857 121.857 122.550 -0.693 19459 6318 1 10 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.028 0.125 19459 6319 1 10 . 1 1 54 54 ALA C C 54 172.786 172.786 177.423 -4.637 19459 6320 1 10 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.027 -0.330 19459 6321 1 10 . 1 1 54 54 ALA CB C 54 19.714 19.714 19.322 0.392 19459 6322 1 10 . 1 1 54 54 ALA H H 54 8.443 8.443 8.769 -0.326 19459 6323 1 10 . 1 1 55 55 LYS N N 55 118.318 118.318 119.211 -0.893 19459 6324 1 10 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.026 -0.282 19459 6325 1 10 . 1 1 55 55 LYS C C 55 172.519 172.519 175.927 -3.408 19459 6326 1 10 . 1 1 55 55 LYS CA C 55 57.944 57.944 57.331 0.613 19459 6327 1 10 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.644 -0.012 19459 6328 1 10 . 1 1 55 55 LYS H H 55 7.612 7.612 7.688 -0.075 19459 6329 1 10 . 1 1 56 56 ASP N N 56 119.214 119.214 119.571 -0.357 19459 6330 1 10 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.566 -0.449 19459 6331 1 10 . 1 1 56 56 ASP C C 56 173.700 173.700 177.188 -3.488 19459 6332 1 10 . 1 1 56 56 ASP CA C 56 55.384 55.384 56.046 -0.662 19459 6333 1 10 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.450 -0.280 19459 6334 1 10 . 1 1 56 56 ASP H H 56 8.555 8.555 8.921 -0.366 19459 6335 1 10 . 1 1 57 57 ARG N N 57 116.006 116.006 117.656 -1.650 19459 6336 1 10 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.180 -0.300 19459 6337 1 10 . 1 1 57 57 ARG C C 57 171.638 171.638 175.875 -4.237 19459 6338 1 10 . 1 1 57 57 ARG CA C 57 55.927 55.927 58.099 -2.172 19459 6339 1 10 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.534 1.623 19459 6340 1 10 . 1 1 57 57 ARG H H 57 7.352 7.352 7.911 -0.559 19459 6341 1 10 . 1 1 58 58 CYS N N 58 115.000 115.000 115.455 -0.455 19459 6342 1 10 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.620 0.954 19459 6343 1 10 . 1 1 58 58 CYS C C 58 175.576 175.576 172.728 2.848 19459 6344 1 10 . 1 1 58 58 CYS CA C 58 52.852 52.852 56.711 -3.859 19459 6345 1 10 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.310 14.266 19459 6346 1 10 . 1 1 58 58 CYS H H 58 7.587 7.587 8.039 -0.452 19459 6347 1 10 . 1 1 59 59 ARG N N 59 123.440 123.440 121.454 1.986 19459 6348 1 10 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.226 0.534 19459 6349 1 10 . 1 1 59 59 ARG C C 59 173.566 173.566 175.291 -1.725 19459 6350 1 10 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.767 -0.528 19459 6351 1 10 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.863 -1.061 19459 6352 1 10 . 1 1 59 59 ARG H H 59 8.984 8.984 8.563 0.421 19459 6353 1 10 . 1 1 60 60 ARG N N 60 125.644 125.644 122.683 2.961 19459 6354 1 10 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.430 -0.779 19459 6355 1 10 . 1 1 60 60 ARG C C 60 172.119 172.119 175.203 -3.084 19459 6356 1 10 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.542 2.756 19459 6357 1 10 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.141 0.127 19459 6358 1 10 . 1 1 60 60 ARG H H 60 9.163 9.163 8.348 0.815 19459 6359 1 10 . 1 1 61 61 LYS N N 61 124.217 124.217 121.476 2.741 19459 6360 1 10 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.438 -0.321 19459 6361 1 10 . 1 1 61 61 LYS C C 61 173.791 173.791 176.853 -3.062 19459 6362 1 10 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.352 1.846 19459 6363 1 10 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.058 2.156 19459 6364 1 10 . 1 1 61 61 LYS H H 61 8.601 8.601 8.190 0.411 19459 6365 1 10 . 1 1 62 62 SER N N 62 114.120 114.120 115.593 -1.473 19459 6366 1 10 . 1 1 62 62 SER HA H 62 4.765 4.765 4.383 0.382 19459 6367 1 10 . 1 1 62 62 SER C C 62 175.019 175.019 174.550 0.469 19459 6368 1 10 . 1 1 62 62 SER CA C 62 58.227 58.227 58.533 -0.306 19459 6369 1 10 . 1 1 62 62 SER CB C 62 65.387 65.387 63.915 1.472 19459 6370 1 10 . 1 1 62 62 SER H H 62 8.494 8.494 8.477 0.017 19459 6371 1 10 . 1 1 63 63 CYS N N 63 122.858 122.858 123.462 -0.604 19459 6372 1 10 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.565 -0.497 19459 6373 1 10 . 1 1 63 63 CYS C C 63 176.076 176.076 174.776 1.300 19459 6374 1 10 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.385 2.882 19459 6375 1 10 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.457 12.310 19459 6376 1 10 . 1 1 63 63 CYS H H 63 8.359 8.359 8.774 -0.415 19459 6377 1 10 . 1 1 64 64 ARG N N 64 118.145 118.145 121.874 -3.729 19459 6378 1 10 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.719 -0.553 19459 6379 1 10 . 1 1 64 64 ARG C C 64 173.077 173.077 174.937 -1.860 19459 6380 1 10 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.097 0.882 19459 6381 1 10 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.233 -1.774 19459 6382 1 10 . 1 1 64 64 ARG H H 64 8.496 8.496 8.729 -0.233 19459 6383 1 10 . 1 1 65 65 ASN N N 65 122.302 122.302 120.324 1.978 19459 6384 1 10 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.239 -0.505 19459 6385 1 10 . 1 1 65 65 ASN C C 65 175.117 175.117 174.730 0.387 19459 6386 1 10 . 1 1 65 65 ASN CA C 65 52.112 52.112 50.140 1.972 19459 6387 1 10 . 1 1 65 65 ASN CB C 65 38.367 38.367 38.731 -0.364 19459 6388 1 10 . 1 1 65 65 ASN H H 65 8.691 8.691 9.064 -0.373 19459 6389 1 10 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.359 0.124 19459 6390 1 10 . 1 1 67 67 PRO C C 67 172.228 172.228 176.223 -3.995 19459 6391 1 10 . 1 1 67 67 PRO CA C 67 61.666 61.666 62.707 -1.041 19459 6392 1 10 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.285 1.202 19459 6393 1 10 . 1 1 68 68 ASP N N 68 118.184 118.184 122.754 -4.570 19459 6394 1 10 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.562 0.080 19459 6395 1 10 . 1 1 68 68 ASP C C 68 173.951 173.951 175.016 -1.065 19459 6396 1 10 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.750 -1.571 19459 6397 1 10 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.730 -0.231 19459 6398 1 10 . 1 1 68 68 ASP H H 68 8.201 8.201 7.611 0.590 19459 6399 1 10 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.485 -0.249 19459 6400 1 10 . 1 1 69 69 PRO C C 69 172.350 172.350 177.463 -5.113 19459 6401 1 10 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.819 -0.908 19459 6402 1 10 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.751 -1.516 19459 6403 1 10 . 1 1 70 70 VAL N N 70 125.745 125.745 121.790 3.955 19459 6404 1 10 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.674 -0.015 19459 6405 1 10 . 1 1 70 70 VAL C C 70 171.231 171.231 177.372 -6.141 19459 6406 1 10 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.207 -0.543 19459 6407 1 10 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.797 -0.946 19459 6408 1 10 . 1 1 70 70 VAL H H 70 8.251 8.251 8.669 -0.418 19459 6409 1 10 . 1 1 71 71 ASN N N 71 119.702 119.702 119.083 0.619 19459 6410 1 10 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.608 -0.607 19459 6411 1 10 . 1 1 71 71 ASN C C 71 176.167 176.167 175.773 0.394 19459 6412 1 10 . 1 1 71 71 ASN CA C 71 55.520 55.520 53.556 1.964 19459 6413 1 10 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.892 -2.650 19459 6414 1 10 . 1 1 71 71 ASN H H 71 8.994 8.994 8.154 0.840 19459 6415 1 10 . 1 1 72 72 GLY N N 72 104.254 104.254 107.503 -3.249 19459 6416 1 10 . 1 1 72 72 GLY C C 72 177.732 177.732 173.780 3.952 19459 6417 1 10 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.012 2.086 19459 6418 1 10 . 1 1 72 72 GLY H H 72 7.637 7.637 8.110 -0.473 19459 6419 1 10 . 1 1 73 73 MET N N 73 116.529 116.529 120.602 -4.073 19459 6420 1 10 . 1 1 73 73 MET HA H 73 4.887 4.887 4.727 0.160 19459 6421 1 10 . 1 1 73 73 MET C C 73 175.128 175.128 174.133 0.995 19459 6422 1 10 . 1 1 73 73 MET CA C 73 54.890 54.890 54.795 0.095 19459 6423 1 10 . 1 1 73 73 MET CB C 73 36.837 36.837 32.926 3.911 19459 6424 1 10 . 1 1 73 73 MET H H 73 8.819 8.819 7.578 1.241 19459 6425 1 10 . 1 1 74 74 VAL N N 74 122.511 122.511 123.812 -1.301 19459 6426 1 10 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.942 -0.339 19459 6427 1 10 . 1 1 74 74 VAL C C 74 176.573 176.573 175.374 1.199 19459 6428 1 10 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.851 -0.842 19459 6429 1 10 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.261 0.241 19459 6430 1 10 . 1 1 74 74 VAL H H 74 8.796 8.796 8.307 0.489 19459 6431 1 10 . 1 1 75 75 HIS N N 75 125.200 125.200 126.748 -1.548 19459 6432 1 10 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.763 -0.049 19459 6433 1 10 . 1 1 75 75 HIS C C 75 175.500 175.500 173.574 1.926 19459 6434 1 10 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.342 -0.657 19459 6435 1 10 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.334 -3.326 19459 6436 1 10 . 1 1 75 75 HIS H H 75 8.977 8.977 7.993 0.984 19459 6437 1 10 . 1 1 76 76 VAL N N 76 127.456 127.456 123.834 3.622 19459 6438 1 10 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.229 -0.057 19459 6439 1 10 . 1 1 76 76 VAL C C 76 173.257 173.257 174.337 -1.080 19459 6440 1 10 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.610 1.588 19459 6441 1 10 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.181 -1.841 19459 6442 1 10 . 1 1 76 76 VAL H H 76 8.926 8.926 8.544 0.382 19459 6443 1 10 . 1 1 77 77 ILE N N 77 126.756 126.756 128.595 -1.839 19459 6444 1 10 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.112 0.039 19459 6445 1 10 . 1 1 77 77 ILE C C 77 172.744 172.744 177.049 -4.305 19459 6446 1 10 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.283 -0.349 19459 6447 1 10 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.397 0.775 19459 6448 1 10 . 1 1 77 77 ILE H H 77 7.978 7.978 8.508 -0.530 19459 6449 1 10 . 1 1 78 78 LYS N N 78 123.427 123.427 119.795 3.632 19459 6450 1 10 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.226 0.351 19459 6451 1 10 . 1 1 78 78 LYS C C 78 172.800 172.800 176.980 -4.180 19459 6452 1 10 . 1 1 78 78 LYS CA C 78 55.383 55.383 56.818 -1.435 19459 6453 1 10 . 1 1 78 78 LYS CB C 78 32.852 32.852 33.089 -0.237 19459 6454 1 10 . 1 1 78 78 LYS H H 78 9.415 9.415 8.516 0.899 19459 6455 1 10 . 1 1 79 79 GLY N N 79 108.777 108.777 107.080 1.697 19459 6456 1 10 . 1 1 79 79 GLY C C 79 176.221 176.221 174.240 1.981 19459 6457 1 10 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.351 0.531 19459 6458 1 10 . 1 1 79 79 GLY H H 79 7.857 7.857 8.065 -0.208 19459 6459 1 10 . 1 1 80 80 ILE N N 80 109.131 109.131 120.508 -11.377 19459 6460 1 10 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.058 0.900 19459 6461 1 10 . 1 1 80 80 ILE C C 80 174.883 174.883 175.310 -0.427 19459 6462 1 10 . 1 1 80 80 ILE CA C 80 60.657 60.657 62.228 -1.571 19459 6463 1 10 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.169 2.542 19459 6464 1 10 . 1 1 80 80 ILE H H 80 8.076 8.076 8.486 -0.410 19459 6465 1 10 . 1 1 81 81 GLN N N 81 116.732 116.732 123.542 -6.810 19459 6466 1 10 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.557 0.109 19459 6467 1 10 . 1 1 81 81 GLN C C 81 172.989 172.989 174.061 -1.072 19459 6468 1 10 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.501 1.000 19459 6469 1 10 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.365 -1.691 19459 6470 1 10 . 1 1 81 81 GLN H H 81 7.682 7.682 8.286 -0.603 19459 6471 1 10 . 1 1 82 82 PHE N N 82 119.773 119.773 121.721 -1.948 19459 6472 1 10 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.093 -0.213 19459 6473 1 10 . 1 1 82 82 PHE C C 82 173.680 173.680 176.316 -2.636 19459 6474 1 10 . 1 1 82 82 PHE CA C 82 58.685 58.685 60.222 -1.537 19459 6475 1 10 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.205 0.915 19459 6476 1 10 . 1 1 82 82 PHE H H 82 8.615 8.615 8.172 0.443 19459 6477 1 10 . 1 1 83 83 GLY N N 83 119.507 119.507 115.365 4.142 19459 6478 1 10 . 1 1 83 83 GLY C C 83 174.662 174.662 174.149 0.513 19459 6479 1 10 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.561 -0.070 19459 6480 1 10 . 1 1 83 83 GLY H H 83 9.086 9.086 8.127 0.959 19459 6481 1 10 . 1 1 84 84 SER N N 84 118.128 118.128 117.895 0.233 19459 6482 1 10 . 1 1 84 84 SER HA H 84 4.415 4.415 4.521 -0.106 19459 6483 1 10 . 1 1 84 84 SER C C 84 177.247 177.247 173.311 3.936 19459 6484 1 10 . 1 1 84 84 SER CA C 84 60.111 60.111 59.127 0.984 19459 6485 1 10 . 1 1 84 84 SER CB C 84 64.281 64.281 64.616 -0.335 19459 6486 1 10 . 1 1 84 84 SER H H 84 8.573 8.573 7.881 0.692 19459 6487 1 10 . 1 1 85 85 GLN N N 85 119.913 119.913 123.709 -3.796 19459 6488 1 10 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.866 -0.047 19459 6489 1 10 . 1 1 85 85 GLN C C 85 172.795 172.795 174.542 -1.747 19459 6490 1 10 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.352 -0.187 19459 6491 1 10 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.684 0.060 19459 6492 1 10 . 1 1 85 85 GLN H H 85 8.211 8.211 8.578 -0.367 19459 6493 1 10 . 1 1 86 86 ILE N N 86 119.724 119.724 121.149 -1.425 19459 6494 1 10 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.075 -0.318 19459 6495 1 10 . 1 1 86 86 ILE C C 86 174.969 174.969 173.416 1.553 19459 6496 1 10 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.173 1.654 19459 6497 1 10 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.848 -1.054 19459 6498 1 10 . 1 1 86 86 ILE H H 86 9.215 9.215 8.817 0.398 19459 6499 1 10 . 1 1 87 87 LYS N N 87 117.135 117.135 120.219 -3.084 19459 6500 1 10 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.946 0.289 19459 6501 1 10 . 1 1 87 87 LYS C C 87 174.599 174.599 175.208 -0.609 19459 6502 1 10 . 1 1 87 87 LYS CA C 87 53.713 53.713 53.270 0.443 19459 6503 1 10 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.899 1.928 19459 6504 1 10 . 1 1 87 87 LYS H H 87 7.600 7.600 8.655 -1.055 19459 6505 1 10 . 1 1 88 88 TYR N N 88 119.004 119.004 121.341 -2.337 19459 6506 1 10 . 1 1 88 88 TYR HA H 88 5.422 5.422 5.015 0.407 19459 6507 1 10 . 1 1 88 88 TYR C C 88 174.407 174.407 175.325 -0.918 19459 6508 1 10 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.163 -0.228 19459 6509 1 10 . 1 1 88 88 TYR CB C 88 43.959 43.959 41.048 2.911 19459 6510 1 10 . 1 1 88 88 TYR H H 88 8.601 8.601 9.086 -0.485 19459 6511 1 10 . 1 1 89 89 SER N N 89 113.228 113.228 116.591 -3.363 19459 6512 1 10 . 1 1 89 89 SER HA H 89 4.668 4.668 5.211 -0.543 19459 6513 1 10 . 1 1 89 89 SER C C 89 177.136 177.136 173.479 3.657 19459 6514 1 10 . 1 1 89 89 SER CA C 89 57.291 57.291 55.910 1.381 19459 6515 1 10 . 1 1 89 89 SER CB C 89 66.534 66.534 65.126 1.408 19459 6516 1 10 . 1 1 89 89 SER H H 89 9.007 9.007 8.947 0.060 19459 6517 1 10 . 1 1 90 90 CYS N N 90 116.009 116.009 117.080 -1.071 19459 6518 1 10 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.462 0.959 19459 6519 1 10 . 1 1 90 90 CYS C C 90 173.812 173.812 173.931 -0.119 19459 6520 1 10 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.189 -5.105 19459 6521 1 10 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.962 13.442 19459 6522 1 10 . 1 1 90 90 CYS H H 90 8.806 8.806 8.108 0.698 19459 6523 1 10 . 1 1 91 91 THR N N 91 120.813 120.813 111.017 9.796 19459 6524 1 10 . 1 1 91 91 THR HA H 91 3.994 3.994 4.365 -0.371 19459 6525 1 10 . 1 1 91 91 THR C C 91 176.445 176.445 174.217 2.228 19459 6526 1 10 . 1 1 91 91 THR CA C 91 63.440 63.440 61.217 2.223 19459 6527 1 10 . 1 1 91 91 THR CB C 91 69.608 69.608 70.820 -1.212 19459 6528 1 10 . 1 1 91 91 THR H H 91 8.737 8.737 6.555 2.182 19459 6529 1 10 . 1 1 92 92 LYS N N 92 124.963 124.963 121.740 3.223 19459 6530 1 10 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.279 -0.175 19459 6531 1 10 . 1 1 92 92 LYS C C 92 172.310 172.310 177.895 -5.585 19459 6532 1 10 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.369 0.518 19459 6533 1 10 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.576 -0.437 19459 6534 1 10 . 1 1 92 92 LYS H H 92 8.325 8.325 8.437 -0.112 19459 6535 1 10 . 1 1 93 93 GLY N N 93 113.608 113.608 108.180 5.428 19459 6536 1 10 . 1 1 93 93 GLY C C 93 175.127 175.127 173.305 1.822 19459 6537 1 10 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.430 0.281 19459 6538 1 10 . 1 1 93 93 GLY H H 93 8.827 8.827 8.265 0.562 19459 6539 1 10 . 1 1 94 94 TYR N N 94 119.900 119.900 119.941 -0.041 19459 6540 1 10 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.878 -0.236 19459 6541 1 10 . 1 1 94 94 TYR C C 94 174.548 174.548 173.314 1.234 19459 6542 1 10 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.766 1.392 19459 6543 1 10 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.024 0.170 19459 6544 1 10 . 1 1 94 94 TYR H H 94 8.281 8.281 7.668 0.613 19459 6545 1 10 . 1 1 95 95 ARG N N 95 122.431 122.431 121.442 0.989 19459 6546 1 10 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.199 0.329 19459 6547 1 10 . 1 1 95 95 ARG C C 95 175.179 175.179 174.000 1.179 19459 6548 1 10 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.363 0.190 19459 6549 1 10 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.806 -0.605 19459 6550 1 10 . 1 1 95 95 ARG H H 95 9.608 9.608 8.368 1.240 19459 6551 1 10 . 1 1 96 96 LEU N N 96 125.652 125.652 126.165 -0.513 19459 6552 1 10 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.593 0.069 19459 6553 1 10 . 1 1 96 96 LEU C C 96 172.420 172.420 176.462 -4.042 19459 6554 1 10 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.244 2.259 19459 6555 1 10 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.809 -1.003 19459 6556 1 10 . 1 1 96 96 LEU H H 96 8.231 8.231 8.291 -0.060 19459 6557 1 10 . 1 1 97 97 ILE N N 97 131.597 131.597 124.672 6.925 19459 6558 1 10 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.864 0.376 19459 6559 1 10 . 1 1 97 97 ILE C C 97 174.158 174.158 176.516 -2.358 19459 6560 1 10 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.858 -0.689 19459 6561 1 10 . 1 1 97 97 ILE CB C 97 37.803 37.803 38.106 -0.303 19459 6562 1 10 . 1 1 97 97 ILE H H 97 9.661 9.661 8.542 1.119 19459 6563 1 10 . 1 1 98 98 GLY N N 98 116.731 116.731 106.067 10.664 19459 6564 1 10 . 1 1 98 98 GLY C C 98 176.923 176.923 173.764 3.159 19459 6565 1 10 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.321 -0.257 19459 6566 1 10 . 1 1 98 98 GLY H H 98 8.465 8.465 7.806 0.659 19459 6567 1 10 . 1 1 99 99 SER N N 99 116.632 116.632 117.503 -0.871 19459 6568 1 10 . 1 1 99 99 SER HA H 99 4.509 4.509 4.398 0.111 19459 6569 1 10 . 1 1 99 99 SER C C 99 175.013 175.013 174.711 0.302 19459 6570 1 10 . 1 1 99 99 SER CA C 99 58.328 58.328 59.130 -0.802 19459 6571 1 10 . 1 1 99 99 SER CB C 99 63.996 63.996 63.254 0.742 19459 6572 1 10 . 1 1 99 99 SER H H 99 8.759 8.759 8.532 0.227 19459 6573 1 10 . 1 1 100 100 SER N N 100 116.696 116.696 118.382 -1.686 19459 6574 1 10 . 1 1 100 100 SER HA H 100 4.447 4.447 4.573 -0.126 19459 6575 1 10 . 1 1 100 100 SER C C 100 175.403 175.403 174.337 1.066 19459 6576 1 10 . 1 1 100 100 SER CA C 100 59.209 59.209 59.460 -0.251 19459 6577 1 10 . 1 1 100 100 SER CB C 100 64.035 64.035 63.823 0.212 19459 6578 1 10 . 1 1 100 100 SER H H 100 8.617 8.617 8.655 -0.038 19459 6579 1 10 . 1 1 101 101 SER N N 101 115.247 115.247 115.991 -0.744 19459 6580 1 10 . 1 1 101 101 SER HA H 101 5.346 5.346 5.613 -0.267 19459 6581 1 10 . 1 1 101 101 SER C C 101 176.888 176.888 172.857 4.031 19459 6582 1 10 . 1 1 101 101 SER CA C 101 57.021 57.021 57.189 -0.168 19459 6583 1 10 . 1 1 101 101 SER CB C 101 66.391 66.391 66.540 -0.149 19459 6584 1 10 . 1 1 101 101 SER H H 101 7.952 7.952 7.544 0.408 19459 6585 1 10 . 1 1 102 102 ALA N N 102 121.438 121.438 121.264 0.174 19459 6586 1 10 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.255 -0.168 19459 6587 1 10 . 1 1 102 102 ALA C C 102 173.807 173.807 176.005 -2.198 19459 6588 1 10 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.833 0.990 19459 6589 1 10 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.737 1.334 19459 6590 1 10 . 1 1 102 102 ALA H H 102 8.286 8.286 8.880 -0.594 19459 6591 1 10 . 1 1 103 103 THR N N 103 118.007 118.007 117.795 0.212 19459 6592 1 10 . 1 1 103 103 THR HA H 103 5.560 5.560 5.286 0.274 19459 6593 1 10 . 1 1 103 103 THR C C 103 176.159 176.159 173.681 2.478 19459 6594 1 10 . 1 1 103 103 THR CA C 103 61.342 61.342 61.660 -0.318 19459 6595 1 10 . 1 1 103 103 THR CB C 103 71.171 71.171 70.785 0.386 19459 6596 1 10 . 1 1 103 103 THR H H 103 9.636 9.636 9.531 0.105 19459 6597 1 10 . 1 1 104 104 CYS N N 104 127.602 127.602 129.018 -1.416 19459 6598 1 10 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.036 -0.670 19459 6599 1 10 . 1 1 104 104 CYS C C 104 174.892 174.892 173.766 1.126 19459 6600 1 10 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.035 -1.556 19459 6601 1 10 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.296 12.889 19459 6602 1 10 . 1 1 104 104 CYS H H 104 8.338 8.338 8.773 -0.435 19459 6603 1 10 . 1 1 105 105 ILE N N 105 126.775 126.775 124.819 1.956 19459 6604 1 10 . 1 1 105 105 ILE HA H 105 4.909 4.909 4.995 -0.087 19459 6605 1 10 . 1 1 105 105 ILE C C 105 174.390 174.390 173.930 0.460 19459 6606 1 10 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.556 1.665 19459 6607 1 10 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.299 1.223 19459 6608 1 10 . 1 1 105 105 ILE H H 105 9.375 9.375 9.267 0.108 19459 6609 1 10 . 1 1 106 106 ILE N N 106 118.256 118.256 121.184 -2.928 19459 6610 1 10 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.266 -0.196 19459 6611 1 10 . 1 1 106 106 ILE C C 106 172.560 172.560 176.608 -4.048 19459 6612 1 10 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.807 1.082 19459 6613 1 10 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.235 3.450 19459 6614 1 10 . 1 1 106 106 ILE H H 106 8.041 8.041 8.510 -0.469 19459 6615 1 10 . 1 1 107 107 SER N N 107 120.167 120.167 121.059 -0.892 19459 6616 1 10 . 1 1 107 107 SER HA H 107 4.376 4.376 4.524 -0.148 19459 6617 1 10 . 1 1 107 107 SER C C 107 174.594 174.594 175.258 -0.664 19459 6618 1 10 . 1 1 107 107 SER CA C 107 57.111 57.111 58.903 -1.792 19459 6619 1 10 . 1 1 107 107 SER CB C 107 63.835 63.835 64.984 -1.149 19459 6620 1 10 . 1 1 107 107 SER H H 107 8.013 8.013 8.993 -0.980 19459 6621 1 10 . 1 1 108 108 GLY N N 108 119.089 119.089 110.502 8.587 19459 6622 1 10 . 1 1 108 108 GLY C C 108 174.665 174.665 174.270 0.395 19459 6623 1 10 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.366 2.122 19459 6624 1 10 . 1 1 108 108 GLY H H 108 9.116 9.116 7.537 1.579 19459 6625 1 10 . 1 1 109 109 ASP N N 109 127.143 127.143 123.434 3.709 19459 6626 1 10 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.559 0.202 19459 6627 1 10 . 1 1 109 109 ASP C C 109 173.724 173.724 176.803 -3.079 19459 6628 1 10 . 1 1 109 109 ASP CA C 109 53.723 53.723 56.435 -2.712 19459 6629 1 10 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.288 -0.056 19459 6630 1 10 . 1 1 109 109 ASP H H 109 8.845 8.845 8.413 0.432 19459 6631 1 10 . 1 1 110 110 THR N N 110 115.044 115.044 111.106 3.938 19459 6632 1 10 . 1 1 110 110 THR HA H 110 4.663 4.663 4.543 0.120 19459 6633 1 10 . 1 1 110 110 THR C C 110 175.636 175.636 172.142 3.494 19459 6634 1 10 . 1 1 110 110 THR CA C 110 58.612 58.612 60.049 -1.437 19459 6635 1 10 . 1 1 110 110 THR CB C 110 71.146 71.146 70.484 0.662 19459 6636 1 10 . 1 1 110 110 THR H H 110 8.134 8.134 7.353 0.781 19459 6637 1 10 . 1 1 111 111 VAL N N 111 115.728 115.728 119.868 -4.140 19459 6638 1 10 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.058 0.257 19459 6639 1 10 . 1 1 111 111 VAL C C 111 174.752 174.752 175.099 -0.347 19459 6640 1 10 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.067 -1.426 19459 6641 1 10 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.166 1.659 19459 6642 1 10 . 1 1 111 111 VAL H H 111 8.310 8.310 8.508 -0.198 19459 6643 1 10 . 1 1 112 112 ILE N N 112 117.116 117.116 119.159 -2.043 19459 6644 1 10 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.699 -0.193 19459 6645 1 10 . 1 1 112 112 ILE C C 112 174.637 174.637 174.298 0.339 19459 6646 1 10 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.184 0.311 19459 6647 1 10 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.865 1.325 19459 6648 1 10 . 1 1 112 112 ILE H H 112 8.945 8.945 8.482 0.463 19459 6649 1 10 . 1 1 113 113 TRP N N 113 121.755 121.755 121.442 0.313 19459 6650 1 10 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.153 -0.046 19459 6651 1 10 . 1 1 113 113 TRP C C 113 170.413 170.413 176.983 -6.570 19459 6652 1 10 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.408 -0.031 19459 6653 1 10 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.295 -0.999 19459 6654 1 10 . 1 1 113 113 TRP H H 113 7.567 7.567 8.663 -1.096 19459 6655 1 10 . 1 1 114 114 ASP N N 114 123.286 123.286 119.471 3.815 19459 6656 1 10 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.497 -0.290 19459 6657 1 10 . 1 1 114 114 ASP C C 114 174.083 174.083 176.288 -2.205 19459 6658 1 10 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.797 0.604 19459 6659 1 10 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.132 -0.983 19459 6660 1 10 . 1 1 114 114 ASP H H 114 9.451 9.451 8.581 0.870 19459 6661 1 10 . 1 1 115 115 GLN N N 115 116.139 116.139 119.610 -3.471 19459 6662 1 10 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.114 0.631 19459 6663 1 10 . 1 1 115 115 GLN C C 115 173.639 173.639 176.616 -2.977 19459 6664 1 10 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.452 -3.269 19459 6665 1 10 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.184 3.139 19459 6666 1 10 . 1 1 115 115 GLN H H 115 7.305 7.305 7.754 -0.449 19459 6667 1 10 . 1 1 116 116 GLU N N 116 120.881 120.881 124.290 -3.409 19459 6668 1 10 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.243 0.087 19459 6669 1 10 . 1 1 116 116 GLU C C 116 173.578 173.578 177.056 -3.478 19459 6670 1 10 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.196 -3.038 19459 6671 1 10 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.087 0.128 19459 6672 1 10 . 1 1 116 116 GLU H H 116 8.615 8.615 8.833 -0.218 19459 6673 1 10 . 1 1 117 117 THR N N 117 119.889 119.889 111.256 8.633 19459 6674 1 10 . 1 1 117 117 THR HA H 117 3.609 3.609 4.403 -0.794 19459 6675 1 10 . 1 1 117 117 THR C C 117 176.699 176.699 171.653 5.046 19459 6676 1 10 . 1 1 117 117 THR CA C 117 61.757 61.757 60.135 1.622 19459 6677 1 10 . 1 1 117 117 THR CB C 117 69.799 69.799 69.571 0.228 19459 6678 1 10 . 1 1 117 117 THR H H 117 8.075 8.075 7.497 0.578 19459 6679 1 10 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.344 0.188 19459 6680 1 10 . 1 1 118 118 PRO C C 118 175.300 175.300 175.994 -0.694 19459 6681 1 10 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.916 -0.556 19459 6682 1 10 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.175 0.713 19459 6683 1 10 . 1 1 119 119 ILE N N 119 114.729 114.729 121.686 -6.957 19459 6684 1 10 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.316 -0.029 19459 6685 1 10 . 1 1 119 119 ILE C C 119 174.748 174.748 174.387 0.361 19459 6686 1 10 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.400 -1.158 19459 6687 1 10 . 1 1 119 119 ILE CB C 119 41.184 41.184 42.617 -1.433 19459 6688 1 10 . 1 1 119 119 ILE H H 119 7.874 7.874 7.745 0.129 19459 6689 1 10 . 1 1 120 120 CYS N N 120 123.444 123.444 123.949 -0.505 19459 6690 1 10 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.872 0.678 19459 6691 1 10 . 1 1 120 120 CYS C C 120 175.583 175.583 174.635 0.948 19459 6692 1 10 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.572 -4.878 19459 6693 1 10 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.516 12.934 19459 6694 1 10 . 1 1 120 120 CYS H H 120 8.583 8.583 8.435 0.148 19459 6695 1 10 . 1 1 121 121 ASP N N 121 124.459 124.459 124.980 -0.521 19459 6696 1 10 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.523 0.784 19459 6697 1 10 . 1 1 121 121 ASP C C 121 174.495 174.495 176.689 -2.194 19459 6698 1 10 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.064 -2.847 19459 6699 1 10 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.368 3.035 19459 6700 1 10 . 1 1 121 121 ASP H H 121 9.309 9.309 8.916 0.393 19459 6701 1 11 . 1 1 2 2 CYS N N 2 117.967 117.967 118.751 -0.784 19459 6702 1 11 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.375 0.152 19459 6703 1 11 . 1 1 2 2 CYS C C 2 174.023 174.023 175.346 -1.323 19459 6704 1 11 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.003 -0.031 19459 6705 1 11 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.523 17.536 19459 6706 1 11 . 1 1 2 2 CYS H H 2 9.327 9.327 7.981 1.346 19459 6707 1 11 . 1 1 3 3 ASN N N 3 119.722 119.722 116.003 3.719 19459 6708 1 11 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.434 0.815 19459 6709 1 11 . 1 1 3 3 ASN C C 3 175.027 175.027 174.465 0.562 19459 6710 1 11 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.448 -0.935 19459 6711 1 11 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.940 1.703 19459 6712 1 11 . 1 1 3 3 ASN H H 3 8.686 8.686 8.250 0.436 19459 6713 1 11 . 1 1 4 4 ALA N N 4 122.403 122.403 119.831 2.572 19459 6714 1 11 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.533 -0.104 19459 6715 1 11 . 1 1 4 4 ALA C C 4 173.517 173.517 175.948 -2.431 19459 6716 1 11 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.358 -0.545 19459 6717 1 11 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.638 -1.651 19459 6718 1 11 . 1 1 4 4 ALA H H 4 8.401 8.401 8.170 0.231 19459 6719 1 11 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.367 -0.459 19459 6720 1 11 . 1 1 5 5 PRO C C 5 172.806 172.806 176.880 -4.074 19459 6721 1 11 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.042 -1.591 19459 6722 1 11 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.027 -0.475 19459 6723 1 11 . 1 1 6 6 GLU N N 6 121.296 121.296 113.923 7.373 19459 6724 1 11 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.335 -0.144 19459 6725 1 11 . 1 1 6 6 GLU C C 6 172.835 172.835 173.854 -1.019 19459 6726 1 11 . 1 1 6 6 GLU CA C 6 56.175 56.175 56.096 0.078 19459 6727 1 11 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.457 0.507 19459 6728 1 11 . 1 1 6 6 GLU H H 6 8.443 8.443 8.013 0.430 19459 6729 1 11 . 1 1 7 7 TRP N N 7 124.746 124.746 122.396 2.350 19459 6730 1 11 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.943 -1.011 19459 6731 1 11 . 1 1 7 7 TRP C C 7 174.236 174.236 174.701 -0.465 19459 6732 1 11 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.438 3.474 19459 6733 1 11 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.355 -1.322 19459 6734 1 11 . 1 1 7 7 TRP H H 7 8.674 8.674 8.318 0.356 19459 6735 1 11 . 1 1 8 8 LEU N N 8 125.782 125.782 130.699 -4.917 19459 6736 1 11 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.305 0.251 19459 6737 1 11 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.650 0.315 19459 6738 1 11 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.039 -0.146 19459 6739 1 11 . 1 1 8 8 LEU H H 8 7.922 7.922 7.917 0.005 19459 6740 1 11 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.083 0.515 19459 6741 1 11 . 1 1 9 9 PRO C C 9 172.961 172.961 177.638 -4.677 19459 6742 1 11 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.058 -0.518 19459 6743 1 11 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.239 0.198 19459 6744 1 11 . 1 1 10 10 PHE N N 10 106.863 106.863 115.890 -9.027 19459 6745 1 11 . 1 1 10 10 PHE HA H 10 3.609 3.609 3.930 -0.321 19459 6746 1 11 . 1 1 10 10 PHE C C 10 175.535 175.535 175.517 0.018 19459 6747 1 11 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.451 -3.594 19459 6748 1 11 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.687 3.088 19459 6749 1 11 . 1 1 10 10 PHE H H 10 5.588 5.588 7.292 -1.704 19459 6750 1 11 . 1 1 11 11 ALA N N 11 121.214 121.214 119.257 1.957 19459 6751 1 11 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.355 -0.212 19459 6752 1 11 . 1 1 11 11 ALA C C 11 175.918 175.918 176.007 -0.089 19459 6753 1 11 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.390 1.478 19459 6754 1 11 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.286 3.444 19459 6755 1 11 . 1 1 11 11 ALA H H 11 6.349 6.349 7.025 -0.676 19459 6756 1 11 . 1 1 12 12 ARG N N 12 117.160 117.160 119.908 -2.748 19459 6757 1 11 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.722 -0.025 19459 6758 1 11 . 1 1 12 12 ARG C C 12 178.499 178.499 173.645 4.854 19459 6759 1 11 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.738 0.127 19459 6760 1 11 . 1 1 12 12 ARG H H 12 9.219 9.219 7.902 1.317 19459 6761 1 11 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.988 -1.319 19459 6762 1 11 . 1 1 13 13 PRO C C 13 171.555 171.555 177.385 -5.830 19459 6763 1 11 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.551 -1.170 19459 6764 1 11 . 1 1 13 13 PRO CB C 13 31.548 31.548 33.231 -1.683 19459 6765 1 11 . 1 1 14 14 THR N N 14 112.823 112.823 112.376 0.447 19459 6766 1 11 . 1 1 14 14 THR HA H 14 3.905 3.905 4.238 -0.333 19459 6767 1 11 . 1 1 14 14 THR C C 14 174.364 174.364 175.775 -1.411 19459 6768 1 11 . 1 1 14 14 THR CA C 14 63.180 63.180 63.663 -0.483 19459 6769 1 11 . 1 1 14 14 THR CB C 14 68.154 68.154 69.376 -1.222 19459 6770 1 11 . 1 1 14 14 THR H H 14 8.062 8.062 8.278 -0.216 19459 6771 1 11 . 1 1 15 15 GLN N N 15 119.736 119.736 118.497 1.239 19459 6772 1 11 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.448 0.053 19459 6773 1 11 . 1 1 15 15 GLN C C 15 174.815 174.815 177.058 -2.243 19459 6774 1 11 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.615 -3.248 19459 6775 1 11 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.596 2.520 19459 6776 1 11 . 1 1 15 15 GLN H H 15 7.758 7.758 8.331 -0.573 19459 6777 1 11 . 1 1 16 16 LEU N N 16 124.583 124.583 119.475 5.108 19459 6778 1 11 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.201 0.160 19459 6779 1 11 . 1 1 16 16 LEU C C 16 172.167 172.167 177.273 -5.106 19459 6780 1 11 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.541 -1.244 19459 6781 1 11 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.676 0.358 19459 6782 1 11 . 1 1 16 16 LEU H H 16 8.458 8.458 8.066 0.392 19459 6783 1 11 . 1 1 17 17 THR N N 17 116.730 116.730 110.563 6.167 19459 6784 1 11 . 1 1 17 17 THR HA H 17 4.633 4.633 3.967 0.666 19459 6785 1 11 . 1 1 17 17 THR C C 17 175.703 175.703 175.069 0.634 19459 6786 1 11 . 1 1 17 17 THR CA C 17 60.358 60.358 64.664 -4.306 19459 6787 1 11 . 1 1 17 17 THR CB C 17 70.110 70.110 68.753 1.357 19459 6788 1 11 . 1 1 17 17 THR H H 17 8.325 8.325 7.509 0.816 19459 6789 1 11 . 1 1 18 18 ASP N N 18 122.839 122.839 116.897 5.942 19459 6790 1 11 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.809 -0.067 19459 6791 1 11 . 1 1 18 18 ASP C C 18 173.642 173.642 174.972 -1.330 19459 6792 1 11 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.272 -1.059 19459 6793 1 11 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.597 -2.675 19459 6794 1 11 . 1 1 18 18 ASP H H 18 8.487 8.487 7.613 0.874 19459 6795 1 11 . 1 1 19 19 GLU N N 19 120.523 120.523 120.293 0.230 19459 6796 1 11 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.550 -0.477 19459 6797 1 11 . 1 1 19 19 GLU C C 19 174.249 174.249 175.646 -1.397 19459 6798 1 11 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.145 1.005 19459 6799 1 11 . 1 1 19 19 GLU CB C 19 29.343 29.343 30.056 -0.713 19459 6800 1 11 . 1 1 19 19 GLU H H 19 7.931 7.931 7.485 0.446 19459 6801 1 11 . 1 1 20 20 PHE N N 20 118.500 118.500 121.146 -2.646 19459 6802 1 11 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.640 0.106 19459 6803 1 11 . 1 1 20 20 PHE C C 20 174.885 174.885 174.924 -0.039 19459 6804 1 11 . 1 1 20 20 PHE CA C 20 57.514 57.514 59.130 -1.616 19459 6805 1 11 . 1 1 20 20 PHE CB C 20 40.483 40.483 40.345 0.138 19459 6806 1 11 . 1 1 20 20 PHE H H 20 8.279 8.279 8.535 -0.256 19459 6807 1 11 . 1 1 21 21 GLU N N 21 117.080 117.080 119.041 -1.961 19459 6808 1 11 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.599 0.411 19459 6809 1 11 . 1 1 21 21 GLU C C 21 174.900 174.900 174.877 0.023 19459 6810 1 11 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.944 -1.671 19459 6811 1 11 . 1 1 21 21 GLU CB C 21 31.373 31.373 30.870 0.503 19459 6812 1 11 . 1 1 21 21 GLU H H 21 7.022 7.022 7.771 -0.749 19459 6813 1 11 . 1 1 22 22 PHE N N 22 119.655 119.655 122.647 -2.992 19459 6814 1 11 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.932 0.037 19459 6815 1 11 . 1 1 22 22 PHE C C 22 176.708 176.708 173.140 3.568 19459 6816 1 11 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.238 -0.462 19459 6817 1 11 . 1 1 22 22 PHE CB C 22 41.746 41.746 43.096 -1.350 19459 6818 1 11 . 1 1 22 22 PHE H H 22 8.974 8.974 8.512 0.462 19459 6819 1 11 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.515 0.073 19459 6820 1 11 . 1 1 23 23 PRO C C 23 171.163 171.163 175.916 -4.753 19459 6821 1 11 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.449 -0.032 19459 6822 1 11 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.874 -0.219 19459 6823 1 11 . 1 1 24 24 ILE N N 24 123.238 123.238 120.385 2.853 19459 6824 1 11 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.571 -0.161 19459 6825 1 11 . 1 1 24 24 ILE C C 24 172.283 172.283 177.461 -5.178 19459 6826 1 11 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.729 1.317 19459 6827 1 11 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.260 0.189 19459 6828 1 11 . 1 1 24 24 ILE H H 24 8.199 8.199 8.328 -0.129 19459 6829 1 11 . 1 1 25 25 GLY N N 25 115.962 115.962 115.250 0.712 19459 6830 1 11 . 1 1 25 25 GLY C C 25 174.927 174.927 174.509 0.418 19459 6831 1 11 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.732 -0.309 19459 6832 1 11 . 1 1 25 25 GLY H H 25 9.061 9.061 8.526 0.535 19459 6833 1 11 . 1 1 26 26 THR N N 26 117.152 117.152 119.193 -2.041 19459 6834 1 11 . 1 1 26 26 THR HA H 26 4.081 4.081 4.277 -0.196 19459 6835 1 11 . 1 1 26 26 THR C C 26 176.723 176.723 173.710 3.013 19459 6836 1 11 . 1 1 26 26 THR CA C 26 65.711 65.711 63.740 1.971 19459 6837 1 11 . 1 1 26 26 THR CB C 26 70.084 70.084 69.549 0.535 19459 6838 1 11 . 1 1 26 26 THR H H 26 7.704 7.704 7.513 0.191 19459 6839 1 11 . 1 1 27 27 TYR N N 27 125.094 125.094 124.702 0.392 19459 6840 1 11 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.920 0.872 19459 6841 1 11 . 1 1 27 27 TYR C C 27 173.835 173.835 175.730 -1.895 19459 6842 1 11 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.688 -1.825 19459 6843 1 11 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.820 1.056 19459 6844 1 11 . 1 1 27 27 TYR H H 27 8.542 8.542 8.702 -0.160 19459 6845 1 11 . 1 1 28 28 LEU N N 28 120.714 120.714 124.896 -4.182 19459 6846 1 11 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.449 0.335 19459 6847 1 11 . 1 1 28 28 LEU C C 28 172.808 172.808 175.732 -2.924 19459 6848 1 11 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.519 -0.336 19459 6849 1 11 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.741 2.197 19459 6850 1 11 . 1 1 28 28 LEU H H 28 9.000 9.000 8.819 0.181 19459 6851 1 11 . 1 1 29 29 ASN N N 29 121.617 121.617 122.180 -0.563 19459 6852 1 11 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.740 0.160 19459 6853 1 11 . 1 1 29 29 ASN C C 29 174.783 174.783 174.205 0.578 19459 6854 1 11 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.235 1.997 19459 6855 1 11 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.608 0.583 19459 6856 1 11 . 1 1 29 29 ASN H H 29 8.544 8.544 8.864 -0.320 19459 6857 1 11 . 1 1 30 30 TYR N N 30 126.738 126.738 123.940 2.798 19459 6858 1 11 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.586 0.100 19459 6859 1 11 . 1 1 30 30 TYR C C 30 174.911 174.911 175.046 -0.135 19459 6860 1 11 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.861 0.040 19459 6861 1 11 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.541 4.301 19459 6862 1 11 . 1 1 30 30 TYR H H 30 9.324 9.324 7.998 1.326 19459 6863 1 11 . 1 1 31 31 GLU N N 31 114.116 114.116 122.782 -8.666 19459 6864 1 11 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.582 0.128 19459 6865 1 11 . 1 1 31 31 GLU C C 31 173.694 173.694 174.792 -1.098 19459 6866 1 11 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.503 -1.384 19459 6867 1 11 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.361 0.265 19459 6868 1 11 . 1 1 31 31 GLU H H 31 8.553 8.553 8.505 0.048 19459 6869 1 11 . 1 1 32 32 CYS N N 32 121.086 121.086 124.882 -3.796 19459 6870 1 11 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.591 0.460 19459 6871 1 11 . 1 1 32 32 CYS C C 32 173.553 173.553 175.191 -1.638 19459 6872 1 11 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.720 -4.240 19459 6873 1 11 . 1 1 32 32 CYS CB C 32 37.487 37.487 26.223 11.264 19459 6874 1 11 . 1 1 32 32 CYS H H 32 9.784 9.784 9.105 0.679 19459 6875 1 11 . 1 1 33 33 ARG N N 33 123.418 123.418 125.896 -2.478 19459 6876 1 11 . 1 1 33 33 ARG C C 33 176.822 176.822 174.753 2.069 19459 6877 1 11 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.214 1.097 19459 6878 1 11 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.144 0.199 19459 6879 1 11 . 1 1 33 33 ARG H H 33 7.898 7.898 8.372 -0.474 19459 6880 1 11 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.292 0.088 19459 6881 1 11 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.952 0.103 19459 6882 1 11 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.761 -0.426 19459 6883 1 11 . 1 1 35 35 GLY N N 35 111.039 111.039 109.105 1.934 19459 6884 1 11 . 1 1 35 35 GLY C C 35 177.546 177.546 173.343 4.203 19459 6885 1 11 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.791 -0.892 19459 6886 1 11 . 1 1 35 35 GLY H H 35 8.378 8.378 8.671 -0.293 19459 6887 1 11 . 1 1 36 36 TYR N N 36 116.682 116.682 119.048 -2.366 19459 6888 1 11 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.409 -0.388 19459 6889 1 11 . 1 1 36 36 TYR C C 36 174.005 174.005 174.960 -0.955 19459 6890 1 11 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.849 -0.354 19459 6891 1 11 . 1 1 36 36 TYR CB C 36 40.981 40.981 40.698 0.283 19459 6892 1 11 . 1 1 36 36 TYR H H 36 8.175 8.175 7.484 0.691 19459 6893 1 11 . 1 1 37 37 SER N N 37 115.855 115.855 117.573 -1.718 19459 6894 1 11 . 1 1 37 37 SER HA H 37 4.819 4.819 4.603 0.216 19459 6895 1 11 . 1 1 37 37 SER C C 37 175.442 175.442 175.622 -0.180 19459 6896 1 11 . 1 1 37 37 SER CA C 37 56.534 56.534 56.952 -0.418 19459 6897 1 11 . 1 1 37 37 SER CB C 37 65.642 65.642 64.720 0.922 19459 6898 1 11 . 1 1 37 37 SER H H 37 9.711 9.711 8.956 0.755 19459 6899 1 11 . 1 1 38 38 GLY N N 38 113.435 113.435 106.845 6.590 19459 6900 1 11 . 1 1 38 38 GLY C C 38 175.876 175.876 173.406 2.470 19459 6901 1 11 . 1 1 38 38 GLY CA C 38 45.268 45.268 45.491 -0.223 19459 6902 1 11 . 1 1 38 38 GLY H H 38 8.288 8.288 8.603 -0.315 19459 6903 1 11 . 1 1 39 39 ARG N N 39 124.199 124.199 117.951 6.248 19459 6904 1 11 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.053 0.686 19459 6905 1 11 . 1 1 39 39 ARG C C 39 175.413 175.413 173.661 1.752 19459 6906 1 11 . 1 1 39 39 ARG CA C 39 54.740 54.740 55.662 -0.922 19459 6907 1 11 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.030 -0.397 19459 6908 1 11 . 1 1 39 39 ARG H H 39 8.350 8.350 7.985 0.365 19459 6909 1 11 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.538 0.120 19459 6910 1 11 . 1 1 40 40 PRO C C 40 173.702 173.702 175.847 -2.145 19459 6911 1 11 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.345 1.125 19459 6912 1 11 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.776 0.412 19459 6913 1 11 . 1 1 41 41 PHE N N 41 118.388 118.388 123.857 -5.469 19459 6914 1 11 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.793 0.370 19459 6915 1 11 . 1 1 41 41 PHE C C 41 176.886 176.886 175.827 1.059 19459 6916 1 11 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.390 -0.824 19459 6917 1 11 . 1 1 41 41 PHE CB C 41 41.264 41.264 43.215 -1.951 19459 6918 1 11 . 1 1 41 41 PHE H H 41 8.017 8.017 7.967 0.050 19459 6919 1 11 . 1 1 42 42 SER N N 42 114.056 114.056 118.199 -4.143 19459 6920 1 11 . 1 1 42 42 SER HA H 42 5.771 5.771 5.018 0.753 19459 6921 1 11 . 1 1 42 42 SER C C 42 174.978 174.978 174.235 0.743 19459 6922 1 11 . 1 1 42 42 SER CA C 42 56.668 56.668 58.163 -1.495 19459 6923 1 11 . 1 1 42 42 SER CB C 42 66.152 66.152 64.126 2.026 19459 6924 1 11 . 1 1 42 42 SER H H 42 8.540 8.540 8.643 -0.103 19459 6925 1 11 . 1 1 43 43 ILE N N 43 115.669 115.669 119.792 -4.123 19459 6926 1 11 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.250 0.815 19459 6927 1 11 . 1 1 43 43 ILE C C 43 174.535 174.535 174.546 -0.011 19459 6928 1 11 . 1 1 43 43 ILE CA C 43 60.044 60.044 61.057 -1.014 19459 6929 1 11 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.528 1.827 19459 6930 1 11 . 1 1 43 43 ILE H H 43 8.637 8.637 7.683 0.954 19459 6931 1 11 . 1 1 44 44 ILE N N 44 120.215 120.215 125.711 -5.496 19459 6932 1 11 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.037 0.249 19459 6933 1 11 . 1 1 44 44 ILE C C 44 174.033 174.033 176.334 -2.301 19459 6934 1 11 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.593 1.063 19459 6935 1 11 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.763 2.567 19459 6936 1 11 . 1 1 44 44 ILE H H 44 8.687 8.687 8.058 0.629 19459 6937 1 11 . 1 1 45 45 CYS N N 45 126.257 126.257 127.111 -0.854 19459 6938 1 11 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.889 -0.137 19459 6939 1 11 . 1 1 45 45 CYS C C 45 174.946 174.946 174.997 -0.051 19459 6940 1 11 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.956 -5.890 19459 6941 1 11 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.119 14.492 19459 6942 1 11 . 1 1 45 45 CYS H H 45 7.993 7.993 8.444 -0.451 19459 6943 1 11 . 1 1 46 46 LEU N N 46 132.514 132.514 125.961 6.553 19459 6944 1 11 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.379 0.037 19459 6945 1 11 . 1 1 46 46 LEU C C 46 172.195 172.195 176.549 -4.354 19459 6946 1 11 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.488 -1.144 19459 6947 1 11 . 1 1 46 46 LEU CB C 46 44.204 44.204 43.172 1.032 19459 6948 1 11 . 1 1 46 46 LEU H H 46 8.826 8.826 7.801 1.025 19459 6949 1 11 . 1 1 47 47 LYS N N 47 115.254 115.254 120.929 -5.675 19459 6950 1 11 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.149 -0.161 19459 6951 1 11 . 1 1 47 47 LYS C C 47 173.781 173.781 176.737 -2.956 19459 6952 1 11 . 1 1 47 47 LYS CA C 47 57.983 57.983 56.684 1.299 19459 6953 1 11 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.542 -1.335 19459 6954 1 11 . 1 1 47 47 LYS H H 47 7.949 7.949 7.688 0.261 19459 6955 1 11 . 1 1 48 48 ASN N N 48 115.283 115.283 123.214 -7.931 19459 6956 1 11 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.338 0.198 19459 6957 1 11 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.938 -0.398 19459 6958 1 11 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.712 -1.340 19459 6959 1 11 . 1 1 48 48 ASN H H 48 8.432 8.432 9.167 -0.735 19459 6960 1 11 . 1 1 49 49 SER N N 49 110.595 110.595 106.251 4.344 19459 6961 1 11 . 1 1 49 49 SER HA H 49 3.969 3.969 3.927 0.042 19459 6962 1 11 . 1 1 49 49 SER CA C 49 59.790 59.790 59.998 -0.208 19459 6963 1 11 . 1 1 49 49 SER CB C 49 60.870 60.870 61.648 -0.778 19459 6964 1 11 . 1 1 49 49 SER H H 49 8.457 8.457 8.059 0.398 19459 6965 1 11 . 1 1 50 50 VAL N N 50 117.680 117.680 119.201 -1.521 19459 6966 1 11 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.884 0.449 19459 6967 1 11 . 1 1 50 50 VAL C C 50 175.347 175.347 176.013 -0.666 19459 6968 1 11 . 1 1 50 50 VAL CA C 50 59.884 59.884 65.353 -5.469 19459 6969 1 11 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.238 1.599 19459 6970 1 11 . 1 1 50 50 VAL H H 50 6.840 6.840 7.643 -0.803 19459 6971 1 11 . 1 1 51 51 TRP N N 51 123.510 123.510 115.224 8.286 19459 6972 1 11 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.050 0.272 19459 6973 1 11 . 1 1 51 51 TRP C C 51 170.736 170.736 176.512 -5.776 19459 6974 1 11 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.704 -0.767 19459 6975 1 11 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.188 -1.397 19459 6976 1 11 . 1 1 51 51 TRP H H 51 8.310 8.310 7.425 0.885 19459 6977 1 11 . 1 1 52 52 THR N N 52 115.962 115.962 114.350 1.612 19459 6978 1 11 . 1 1 52 52 THR HA H 52 4.656 4.656 4.238 0.418 19459 6979 1 11 . 1 1 52 52 THR C C 52 175.780 175.780 175.279 0.501 19459 6980 1 11 . 1 1 52 52 THR CA C 52 61.376 61.376 62.385 -1.009 19459 6981 1 11 . 1 1 52 52 THR CB C 52 70.723 70.723 68.415 2.308 19459 6982 1 11 . 1 1 52 52 THR H H 52 9.026 9.026 8.730 0.296 19459 6983 1 11 . 1 1 53 53 GLY N N 53 108.521 108.521 107.447 1.074 19459 6984 1 11 . 1 1 53 53 GLY C C 53 174.881 174.881 173.707 1.174 19459 6985 1 11 . 1 1 53 53 GLY CA C 53 45.344 45.344 45.148 0.196 19459 6986 1 11 . 1 1 53 53 GLY H H 53 8.292 8.292 8.276 0.016 19459 6987 1 11 . 1 1 54 54 ALA N N 54 121.857 121.857 121.190 0.667 19459 6988 1 11 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.826 0.327 19459 6989 1 11 . 1 1 54 54 ALA C C 54 172.786 172.786 176.277 -3.491 19459 6990 1 11 . 1 1 54 54 ALA CA C 54 51.697 51.697 53.046 -1.349 19459 6991 1 11 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.775 1.939 19459 6992 1 11 . 1 1 54 54 ALA H H 54 8.443 8.443 8.188 0.255 19459 6993 1 11 . 1 1 55 55 LYS N N 55 118.318 118.318 118.677 -0.359 19459 6994 1 11 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.242 -0.498 19459 6995 1 11 . 1 1 55 55 LYS C C 55 172.519 172.519 176.635 -4.116 19459 6996 1 11 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.624 1.320 19459 6997 1 11 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.915 -0.283 19459 6998 1 11 . 1 1 55 55 LYS H H 55 7.612 7.612 7.849 -0.237 19459 6999 1 11 . 1 1 56 56 ASP N N 56 119.214 119.214 121.533 -2.319 19459 7000 1 11 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.466 -0.349 19459 7001 1 11 . 1 1 56 56 ASP C C 56 173.700 173.700 176.612 -2.912 19459 7002 1 11 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.665 -0.281 19459 7003 1 11 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.720 -0.550 19459 7004 1 11 . 1 1 56 56 ASP H H 56 8.555 8.555 8.968 -0.413 19459 7005 1 11 . 1 1 57 57 ARG N N 57 116.006 116.006 116.996 -0.990 19459 7006 1 11 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.221 -0.341 19459 7007 1 11 . 1 1 57 57 ARG C C 57 171.638 171.638 175.951 -4.313 19459 7008 1 11 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.816 -1.889 19459 7009 1 11 . 1 1 57 57 ARG CB C 57 32.157 32.157 31.045 1.112 19459 7010 1 11 . 1 1 57 57 ARG H H 57 7.352 7.352 8.506 -1.154 19459 7011 1 11 . 1 1 58 58 CYS N N 58 115.000 115.000 114.264 0.736 19459 7012 1 11 . 1 1 58 58 CYS HA H 58 5.574 5.574 5.650 -0.076 19459 7013 1 11 . 1 1 58 58 CYS C C 58 175.576 175.576 174.524 1.052 19459 7014 1 11 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.408 -4.556 19459 7015 1 11 . 1 1 58 58 CYS CB C 58 43.576 43.576 30.247 13.329 19459 7016 1 11 . 1 1 58 58 CYS H H 58 7.587 7.587 7.938 -0.351 19459 7017 1 11 . 1 1 59 59 ARG N N 59 123.440 123.440 122.099 1.341 19459 7018 1 11 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.715 0.045 19459 7019 1 11 . 1 1 59 59 ARG C C 59 173.566 173.566 174.705 -1.139 19459 7020 1 11 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.762 -0.523 19459 7021 1 11 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.855 -1.053 19459 7022 1 11 . 1 1 59 59 ARG H H 59 8.984 8.984 8.877 0.107 19459 7023 1 11 . 1 1 60 60 ARG N N 60 125.644 125.644 122.537 3.107 19459 7024 1 11 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.927 -1.276 19459 7025 1 11 . 1 1 60 60 ARG C C 60 172.119 172.119 175.706 -3.587 19459 7026 1 11 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.414 3.884 19459 7027 1 11 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.763 -0.495 19459 7028 1 11 . 1 1 60 60 ARG H H 60 9.163 9.163 8.446 0.717 19459 7029 1 11 . 1 1 61 61 LYS N N 61 124.217 124.217 121.153 3.064 19459 7030 1 11 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.512 -0.395 19459 7031 1 11 . 1 1 61 61 LYS C C 61 173.791 173.791 176.194 -2.403 19459 7032 1 11 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.761 2.437 19459 7033 1 11 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.007 1.207 19459 7034 1 11 . 1 1 61 61 LYS H H 61 8.601 8.601 8.099 0.502 19459 7035 1 11 . 1 1 62 62 SER N N 62 114.120 114.120 114.770 -0.650 19459 7036 1 11 . 1 1 62 62 SER HA H 62 4.765 4.765 4.486 0.279 19459 7037 1 11 . 1 1 62 62 SER C C 62 175.019 175.019 174.380 0.639 19459 7038 1 11 . 1 1 62 62 SER CA C 62 58.227 58.227 58.609 -0.382 19459 7039 1 11 . 1 1 62 62 SER CB C 62 65.387 65.387 63.798 1.589 19459 7040 1 11 . 1 1 62 62 SER H H 62 8.494 8.494 8.274 0.220 19459 7041 1 11 . 1 1 63 63 CYS N N 63 122.858 122.858 119.687 3.171 19459 7042 1 11 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.634 -0.566 19459 7043 1 11 . 1 1 63 63 CYS C C 63 176.076 176.076 174.527 1.549 19459 7044 1 11 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.135 3.132 19459 7045 1 11 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.360 11.408 19459 7046 1 11 . 1 1 63 63 CYS H H 63 8.359 8.359 7.937 0.422 19459 7047 1 11 . 1 1 64 64 ARG N N 64 118.145 118.145 120.688 -2.543 19459 7048 1 11 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.686 -0.520 19459 7049 1 11 . 1 1 64 64 ARG C C 64 173.077 173.077 174.706 -1.629 19459 7050 1 11 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.902 0.078 19459 7051 1 11 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.162 -1.703 19459 7052 1 11 . 1 1 64 64 ARG H H 64 8.496 8.496 8.742 -0.246 19459 7053 1 11 . 1 1 65 65 ASN N N 65 122.302 122.302 119.650 2.652 19459 7054 1 11 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.144 -0.410 19459 7055 1 11 . 1 1 65 65 ASN C C 65 175.117 175.117 174.404 0.713 19459 7056 1 11 . 1 1 65 65 ASN CA C 65 52.112 52.112 52.277 -0.165 19459 7057 1 11 . 1 1 65 65 ASN CB C 65 38.367 38.367 40.173 -1.806 19459 7058 1 11 . 1 1 65 65 ASN H H 65 8.691 8.691 9.035 -0.344 19459 7059 1 11 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.305 0.178 19459 7060 1 11 . 1 1 67 67 PRO C C 67 172.228 172.228 176.705 -4.477 19459 7061 1 11 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.330 -1.664 19459 7062 1 11 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.873 0.613 19459 7063 1 11 . 1 1 68 68 ASP N N 68 118.184 118.184 119.486 -1.302 19459 7064 1 11 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.284 0.358 19459 7065 1 11 . 1 1 68 68 ASP C C 68 173.951 173.951 173.947 0.004 19459 7066 1 11 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.288 -1.109 19459 7067 1 11 . 1 1 68 68 ASP CB C 68 40.499 40.499 38.997 1.502 19459 7068 1 11 . 1 1 68 68 ASP H H 68 8.201 8.201 7.701 0.500 19459 7069 1 11 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.625 -0.389 19459 7070 1 11 . 1 1 69 69 PRO C C 69 172.350 172.350 177.433 -5.083 19459 7071 1 11 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.418 -0.507 19459 7072 1 11 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.482 -1.247 19459 7073 1 11 . 1 1 70 70 VAL N N 70 125.745 125.745 122.696 3.049 19459 7074 1 11 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.721 -0.062 19459 7075 1 11 . 1 1 70 70 VAL C C 70 171.231 171.231 177.057 -5.826 19459 7076 1 11 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.045 -0.381 19459 7077 1 11 . 1 1 70 70 VAL CB C 70 30.851 30.851 32.076 -1.225 19459 7078 1 11 . 1 1 70 70 VAL H H 70 8.251 8.251 8.606 -0.355 19459 7079 1 11 . 1 1 71 71 ASN N N 71 119.702 119.702 120.043 -0.341 19459 7080 1 11 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.533 -0.532 19459 7081 1 11 . 1 1 71 71 ASN C C 71 176.167 176.167 175.739 0.428 19459 7082 1 11 . 1 1 71 71 ASN CA C 71 55.520 55.520 53.959 1.561 19459 7083 1 11 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.537 -2.295 19459 7084 1 11 . 1 1 71 71 ASN H H 71 8.994 8.994 8.488 0.506 19459 7085 1 11 . 1 1 72 72 GLY N N 72 104.254 104.254 104.705 -0.451 19459 7086 1 11 . 1 1 72 72 GLY C C 72 177.732 177.732 174.510 3.222 19459 7087 1 11 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.202 1.896 19459 7088 1 11 . 1 1 72 72 GLY H H 72 7.637 7.637 8.118 -0.481 19459 7089 1 11 . 1 1 73 73 MET N N 73 116.529 116.529 118.591 -2.062 19459 7090 1 11 . 1 1 73 73 MET HA H 73 4.887 4.887 4.455 0.432 19459 7091 1 11 . 1 1 73 73 MET C C 73 175.128 175.128 175.498 -0.370 19459 7092 1 11 . 1 1 73 73 MET CA C 73 54.890 54.890 54.646 0.244 19459 7093 1 11 . 1 1 73 73 MET CB C 73 36.837 36.837 32.883 3.954 19459 7094 1 11 . 1 1 73 73 MET H H 73 8.819 8.819 8.036 0.783 19459 7095 1 11 . 1 1 74 74 VAL N N 74 122.511 122.511 120.882 1.629 19459 7096 1 11 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.188 0.415 19459 7097 1 11 . 1 1 74 74 VAL C C 74 176.573 176.573 175.952 0.621 19459 7098 1 11 . 1 1 74 74 VAL CA C 74 59.009 59.009 61.849 -2.840 19459 7099 1 11 . 1 1 74 74 VAL CB C 74 34.502 34.502 31.956 2.546 19459 7100 1 11 . 1 1 74 74 VAL H H 74 8.796 8.796 7.513 1.283 19459 7101 1 11 . 1 1 75 75 HIS N N 75 125.200 125.200 127.673 -2.473 19459 7102 1 11 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.692 0.022 19459 7103 1 11 . 1 1 75 75 HIS C C 75 175.500 175.500 174.083 1.417 19459 7104 1 11 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.340 -0.655 19459 7105 1 11 . 1 1 75 75 HIS CB C 75 29.008 29.008 31.273 -2.265 19459 7106 1 11 . 1 1 75 75 HIS H H 75 8.977 8.977 7.815 1.162 19459 7107 1 11 . 1 1 76 76 VAL N N 76 127.456 127.456 125.534 1.922 19459 7108 1 11 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.101 0.071 19459 7109 1 11 . 1 1 76 76 VAL C C 76 173.257 173.257 175.543 -2.286 19459 7110 1 11 . 1 1 76 76 VAL CA C 76 62.198 62.198 62.146 0.052 19459 7111 1 11 . 1 1 76 76 VAL CB C 76 31.340 31.340 31.887 -0.547 19459 7112 1 11 . 1 1 76 76 VAL H H 76 8.926 8.926 8.663 0.263 19459 7113 1 11 . 1 1 77 77 ILE N N 77 126.756 126.756 129.188 -2.432 19459 7114 1 11 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.874 0.277 19459 7115 1 11 . 1 1 77 77 ILE C C 77 172.744 172.744 177.251 -4.507 19459 7116 1 11 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.127 -1.193 19459 7117 1 11 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.292 0.880 19459 7118 1 11 . 1 1 77 77 ILE H H 77 7.978 7.978 8.273 -0.295 19459 7119 1 11 . 1 1 78 78 LYS N N 78 123.427 123.427 118.241 5.186 19459 7120 1 11 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.439 0.138 19459 7121 1 11 . 1 1 78 78 LYS C C 78 172.800 172.800 176.810 -4.010 19459 7122 1 11 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.601 -0.218 19459 7123 1 11 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.861 -0.009 19459 7124 1 11 . 1 1 78 78 LYS H H 78 9.415 9.415 7.749 1.666 19459 7125 1 11 . 1 1 79 79 GLY N N 79 108.777 108.777 107.303 1.474 19459 7126 1 11 . 1 1 79 79 GLY C C 79 176.221 176.221 174.521 1.700 19459 7127 1 11 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.125 -0.243 19459 7128 1 11 . 1 1 79 79 GLY H H 79 7.857 7.857 8.444 -0.587 19459 7129 1 11 . 1 1 80 80 ILE N N 80 109.131 109.131 116.173 -7.042 19459 7130 1 11 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.022 0.936 19459 7131 1 11 . 1 1 80 80 ILE C C 80 174.883 174.883 174.206 0.677 19459 7132 1 11 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.259 -0.602 19459 7133 1 11 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.944 1.767 19459 7134 1 11 . 1 1 80 80 ILE H H 80 8.076 8.076 7.890 0.186 19459 7135 1 11 . 1 1 81 81 GLN N N 81 116.732 116.732 120.771 -4.039 19459 7136 1 11 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.515 0.151 19459 7137 1 11 . 1 1 81 81 GLN C C 81 172.989 172.989 173.919 -0.930 19459 7138 1 11 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.540 0.961 19459 7139 1 11 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.342 -1.668 19459 7140 1 11 . 1 1 81 81 GLN H H 81 7.682 7.682 7.923 -0.241 19459 7141 1 11 . 1 1 82 82 PHE N N 82 119.773 119.773 122.829 -3.056 19459 7142 1 11 . 1 1 82 82 PHE HA H 82 3.880 3.880 3.971 -0.091 19459 7143 1 11 . 1 1 82 82 PHE C C 82 173.680 173.680 176.057 -2.377 19459 7144 1 11 . 1 1 82 82 PHE CA C 82 58.685 58.685 58.950 -0.265 19459 7145 1 11 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.359 0.760 19459 7146 1 11 . 1 1 82 82 PHE H H 82 8.615 8.615 8.103 0.512 19459 7147 1 11 . 1 1 83 83 GLY N N 83 119.507 119.507 114.839 4.668 19459 7148 1 11 . 1 1 83 83 GLY C C 83 174.662 174.662 174.064 0.598 19459 7149 1 11 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.515 -0.024 19459 7150 1 11 . 1 1 83 83 GLY H H 83 9.086 9.086 7.878 1.208 19459 7151 1 11 . 1 1 84 84 SER N N 84 118.128 118.128 117.329 0.799 19459 7152 1 11 . 1 1 84 84 SER HA H 84 4.415 4.415 4.438 -0.023 19459 7153 1 11 . 1 1 84 84 SER C C 84 177.247 177.247 173.373 3.874 19459 7154 1 11 . 1 1 84 84 SER CA C 84 60.111 60.111 59.213 0.898 19459 7155 1 11 . 1 1 84 84 SER CB C 84 64.281 64.281 64.707 -0.425 19459 7156 1 11 . 1 1 84 84 SER H H 84 8.573 8.573 7.685 0.888 19459 7157 1 11 . 1 1 85 85 GLN N N 85 119.913 119.913 125.609 -5.696 19459 7158 1 11 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.741 0.078 19459 7159 1 11 . 1 1 85 85 GLN C C 85 172.795 172.795 174.857 -2.062 19459 7160 1 11 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.228 -0.063 19459 7161 1 11 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.296 0.448 19459 7162 1 11 . 1 1 85 85 GLN H H 85 8.211 8.211 8.491 -0.280 19459 7163 1 11 . 1 1 86 86 ILE N N 86 119.724 119.724 119.256 0.468 19459 7164 1 11 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.349 -0.592 19459 7165 1 11 . 1 1 86 86 ILE C C 86 174.969 174.969 174.375 0.594 19459 7166 1 11 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.314 1.513 19459 7167 1 11 . 1 1 86 86 ILE CB C 86 40.794 40.794 42.080 -1.286 19459 7168 1 11 . 1 1 86 86 ILE H H 86 9.215 9.215 9.246 -0.031 19459 7169 1 11 . 1 1 87 87 LYS N N 87 117.135 117.135 120.206 -3.071 19459 7170 1 11 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.986 0.249 19459 7171 1 11 . 1 1 87 87 LYS C C 87 174.599 174.599 175.350 -0.751 19459 7172 1 11 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.513 -0.800 19459 7173 1 11 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.721 2.106 19459 7174 1 11 . 1 1 87 87 LYS H H 87 7.600 7.600 8.272 -0.672 19459 7175 1 11 . 1 1 88 88 TYR N N 88 119.004 119.004 122.286 -3.282 19459 7176 1 11 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.668 0.754 19459 7177 1 11 . 1 1 88 88 TYR C C 88 174.407 174.407 174.610 -0.203 19459 7178 1 11 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.233 0.702 19459 7179 1 11 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.397 5.562 19459 7180 1 11 . 1 1 88 88 TYR H H 88 8.601 8.601 9.298 -0.697 19459 7181 1 11 . 1 1 89 89 SER N N 89 113.228 113.228 115.374 -2.146 19459 7182 1 11 . 1 1 89 89 SER HA H 89 4.668 4.668 4.770 -0.102 19459 7183 1 11 . 1 1 89 89 SER C C 89 177.136 177.136 174.088 3.048 19459 7184 1 11 . 1 1 89 89 SER CA C 89 57.291 57.291 57.949 -0.658 19459 7185 1 11 . 1 1 89 89 SER CB C 89 66.534 66.534 64.802 1.732 19459 7186 1 11 . 1 1 89 89 SER H H 89 9.007 9.007 8.026 0.981 19459 7187 1 11 . 1 1 90 90 CYS N N 90 116.009 116.009 117.864 -1.855 19459 7188 1 11 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.306 1.115 19459 7189 1 11 . 1 1 90 90 CYS C C 90 173.812 173.812 173.743 0.069 19459 7190 1 11 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.788 -5.705 19459 7191 1 11 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.398 14.006 19459 7192 1 11 . 1 1 90 90 CYS H H 90 8.806 8.806 7.523 1.283 19459 7193 1 11 . 1 1 91 91 THR N N 91 120.813 120.813 109.208 11.605 19459 7194 1 11 . 1 1 91 91 THR HA H 91 3.994 3.994 4.308 -0.314 19459 7195 1 11 . 1 1 91 91 THR C C 91 176.445 176.445 173.739 2.706 19459 7196 1 11 . 1 1 91 91 THR CA C 91 63.440 63.440 61.641 1.799 19459 7197 1 11 . 1 1 91 91 THR CB C 91 69.608 69.608 71.874 -2.266 19459 7198 1 11 . 1 1 91 91 THR H H 91 8.737 8.737 6.671 2.066 19459 7199 1 11 . 1 1 92 92 LYS N N 92 124.963 124.963 122.491 2.472 19459 7200 1 11 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.254 -0.150 19459 7201 1 11 . 1 1 92 92 LYS C C 92 172.310 172.310 177.366 -5.056 19459 7202 1 11 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.823 1.064 19459 7203 1 11 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.685 -0.547 19459 7204 1 11 . 1 1 92 92 LYS H H 92 8.325 8.325 8.487 -0.162 19459 7205 1 11 . 1 1 93 93 GLY N N 93 113.608 113.608 108.490 5.118 19459 7206 1 11 . 1 1 93 93 GLY C C 93 175.127 175.127 172.951 2.176 19459 7207 1 11 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.581 0.130 19459 7208 1 11 . 1 1 93 93 GLY H H 93 8.827 8.827 8.008 0.819 19459 7209 1 11 . 1 1 94 94 TYR N N 94 119.900 119.900 120.996 -1.096 19459 7210 1 11 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.791 -0.149 19459 7211 1 11 . 1 1 94 94 TYR C C 94 174.548 174.548 173.313 1.235 19459 7212 1 11 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.271 0.887 19459 7213 1 11 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.036 0.158 19459 7214 1 11 . 1 1 94 94 TYR H H 94 8.281 8.281 7.738 0.543 19459 7215 1 11 . 1 1 95 95 ARG N N 95 122.431 122.431 120.718 1.713 19459 7216 1 11 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.295 0.233 19459 7217 1 11 . 1 1 95 95 ARG C C 95 175.179 175.179 173.946 1.233 19459 7218 1 11 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.590 -0.037 19459 7219 1 11 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.026 0.175 19459 7220 1 11 . 1 1 95 95 ARG H H 95 9.608 9.608 8.512 1.096 19459 7221 1 11 . 1 1 96 96 LEU N N 96 125.652 125.652 124.180 1.472 19459 7222 1 11 . 1 1 96 96 LEU HA H 96 4.662 4.662 5.049 -0.387 19459 7223 1 11 . 1 1 96 96 LEU C C 96 172.420 172.420 176.921 -4.501 19459 7224 1 11 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.969 2.534 19459 7225 1 11 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.528 -0.722 19459 7226 1 11 . 1 1 96 96 LEU H H 96 8.231 8.231 8.284 -0.053 19459 7227 1 11 . 1 1 97 97 ILE N N 97 131.597 131.597 125.838 5.759 19459 7228 1 11 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.959 0.281 19459 7229 1 11 . 1 1 97 97 ILE C C 97 174.158 174.158 176.966 -2.808 19459 7230 1 11 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.381 -1.212 19459 7231 1 11 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.685 0.118 19459 7232 1 11 . 1 1 97 97 ILE H H 97 9.661 9.661 7.860 1.801 19459 7233 1 11 . 1 1 98 98 GLY N N 98 116.731 116.731 106.447 10.284 19459 7234 1 11 . 1 1 98 98 GLY C C 98 176.923 176.923 173.485 3.438 19459 7235 1 11 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.502 -0.438 19459 7236 1 11 . 1 1 98 98 GLY H H 98 8.465 8.465 7.828 0.637 19459 7237 1 11 . 1 1 99 99 SER N N 99 116.632 116.632 114.359 2.273 19459 7238 1 11 . 1 1 99 99 SER HA H 99 4.509 4.509 4.249 0.260 19459 7239 1 11 . 1 1 99 99 SER C C 99 175.013 175.013 174.971 0.042 19459 7240 1 11 . 1 1 99 99 SER CA C 99 58.328 58.328 59.260 -0.932 19459 7241 1 11 . 1 1 99 99 SER CB C 99 63.996 63.996 63.045 0.951 19459 7242 1 11 . 1 1 99 99 SER H H 99 8.759 8.759 8.463 0.296 19459 7243 1 11 . 1 1 100 100 SER N N 100 116.696 116.696 119.298 -2.602 19459 7244 1 11 . 1 1 100 100 SER HA H 100 4.447 4.447 4.286 0.161 19459 7245 1 11 . 1 1 100 100 SER C C 100 175.403 175.403 174.854 0.549 19459 7246 1 11 . 1 1 100 100 SER CA C 100 59.209 59.209 60.807 -1.598 19459 7247 1 11 . 1 1 100 100 SER CB C 100 64.035 64.035 63.562 0.473 19459 7248 1 11 . 1 1 100 100 SER H H 100 8.617 8.617 8.758 -0.141 19459 7249 1 11 . 1 1 101 101 SER N N 101 115.247 115.247 113.727 1.520 19459 7250 1 11 . 1 1 101 101 SER HA H 101 5.346 5.346 5.201 0.145 19459 7251 1 11 . 1 1 101 101 SER C C 101 176.888 176.888 173.412 3.476 19459 7252 1 11 . 1 1 101 101 SER CA C 101 57.021 57.021 56.632 0.389 19459 7253 1 11 . 1 1 101 101 SER CB C 101 66.391 66.391 64.000 2.391 19459 7254 1 11 . 1 1 101 101 SER H H 101 7.952 7.952 7.780 0.172 19459 7255 1 11 . 1 1 102 102 ALA N N 102 121.438 121.438 131.045 -9.607 19459 7256 1 11 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.918 0.169 19459 7257 1 11 . 1 1 102 102 ALA C C 102 173.807 173.807 176.947 -3.140 19459 7258 1 11 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.559 0.265 19459 7259 1 11 . 1 1 102 102 ALA CB C 102 24.071 24.071 20.137 3.934 19459 7260 1 11 . 1 1 102 102 ALA H H 102 8.286 8.286 8.398 -0.112 19459 7261 1 11 . 1 1 103 103 THR N N 103 118.007 118.007 119.868 -1.861 19459 7262 1 11 . 1 1 103 103 THR HA H 103 5.560 5.560 5.159 0.401 19459 7263 1 11 . 1 1 103 103 THR C C 103 176.159 176.159 173.767 2.392 19459 7264 1 11 . 1 1 103 103 THR CA C 103 61.342 61.342 62.118 -0.776 19459 7265 1 11 . 1 1 103 103 THR CB C 103 71.171 71.171 71.365 -0.194 19459 7266 1 11 . 1 1 103 103 THR H H 103 9.636 9.636 9.661 -0.025 19459 7267 1 11 . 1 1 104 104 CYS N N 104 127.602 127.602 128.436 -0.834 19459 7268 1 11 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.587 -0.221 19459 7269 1 11 . 1 1 104 104 CYS C C 104 174.892 174.892 174.201 0.691 19459 7270 1 11 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.941 -2.462 19459 7271 1 11 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.297 12.888 19459 7272 1 11 . 1 1 104 104 CYS H H 104 8.338 8.338 8.756 -0.418 19459 7273 1 11 . 1 1 105 105 ILE N N 105 126.775 126.775 124.613 2.162 19459 7274 1 11 . 1 1 105 105 ILE HA H 105 4.909 4.909 4.963 -0.054 19459 7275 1 11 . 1 1 105 105 ILE C C 105 174.390 174.390 173.623 0.767 19459 7276 1 11 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.457 0.764 19459 7277 1 11 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.866 0.656 19459 7278 1 11 . 1 1 105 105 ILE H H 105 9.375 9.375 9.214 0.161 19459 7279 1 11 . 1 1 106 106 ILE N N 106 118.256 118.256 122.044 -3.788 19459 7280 1 11 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.003 0.067 19459 7281 1 11 . 1 1 106 106 ILE C C 106 172.560 172.560 176.262 -3.702 19459 7282 1 11 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.286 1.603 19459 7283 1 11 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.950 2.735 19459 7284 1 11 . 1 1 106 106 ILE H H 106 8.041 8.041 8.424 -0.383 19459 7285 1 11 . 1 1 107 107 SER N N 107 120.167 120.167 122.606 -2.439 19459 7286 1 11 . 1 1 107 107 SER HA H 107 4.376 4.376 4.523 -0.147 19459 7287 1 11 . 1 1 107 107 SER C C 107 174.594 174.594 175.573 -0.979 19459 7288 1 11 . 1 1 107 107 SER CA C 107 57.111 57.111 59.143 -2.032 19459 7289 1 11 . 1 1 107 107 SER CB C 107 63.835 63.835 64.117 -0.282 19459 7290 1 11 . 1 1 107 107 SER H H 107 8.013 8.013 9.090 -1.077 19459 7291 1 11 . 1 1 108 108 GLY N N 108 119.089 119.089 110.226 8.863 19459 7292 1 11 . 1 1 108 108 GLY C C 108 174.665 174.665 174.953 -0.288 19459 7293 1 11 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.698 1.790 19459 7294 1 11 . 1 1 108 108 GLY H H 108 9.116 9.116 7.759 1.357 19459 7295 1 11 . 1 1 109 109 ASP N N 109 127.143 127.143 121.857 5.286 19459 7296 1 11 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.604 0.157 19459 7297 1 11 . 1 1 109 109 ASP C C 109 173.724 173.724 176.931 -3.207 19459 7298 1 11 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.808 -2.085 19459 7299 1 11 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.475 -0.243 19459 7300 1 11 . 1 1 109 109 ASP H H 109 8.845 8.845 8.162 0.683 19459 7301 1 11 . 1 1 110 110 THR N N 110 115.044 115.044 110.109 4.935 19459 7302 1 11 . 1 1 110 110 THR HA H 110 4.663 4.663 4.479 0.184 19459 7303 1 11 . 1 1 110 110 THR C C 110 175.636 175.636 171.967 3.669 19459 7304 1 11 . 1 1 110 110 THR CA C 110 58.612 58.612 60.003 -1.391 19459 7305 1 11 . 1 1 110 110 THR CB C 110 71.146 71.146 70.303 0.843 19459 7306 1 11 . 1 1 110 110 THR H H 110 8.134 8.134 7.285 0.849 19459 7307 1 11 . 1 1 111 111 VAL N N 111 115.728 115.728 120.292 -4.564 19459 7308 1 11 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.919 0.396 19459 7309 1 11 . 1 1 111 111 VAL C C 111 174.752 174.752 174.031 0.721 19459 7310 1 11 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.703 -1.062 19459 7311 1 11 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.732 1.092 19459 7312 1 11 . 1 1 111 111 VAL H H 111 8.310 8.310 8.484 -0.174 19459 7313 1 11 . 1 1 112 112 ILE N N 112 117.116 117.116 118.475 -1.359 19459 7314 1 11 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.679 -0.173 19459 7315 1 11 . 1 1 112 112 ILE C C 112 174.637 174.637 174.129 0.508 19459 7316 1 11 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.226 0.269 19459 7317 1 11 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.757 1.434 19459 7318 1 11 . 1 1 112 112 ILE H H 112 8.945 8.945 8.431 0.514 19459 7319 1 11 . 1 1 113 113 TRP N N 113 121.755 121.755 121.519 0.236 19459 7320 1 11 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.284 -0.177 19459 7321 1 11 . 1 1 113 113 TRP C C 113 170.413 170.413 177.073 -6.660 19459 7322 1 11 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.358 0.019 19459 7323 1 11 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.395 -1.099 19459 7324 1 11 . 1 1 113 113 TRP H H 113 7.567 7.567 8.528 -0.961 19459 7325 1 11 . 1 1 114 114 ASP N N 114 123.286 123.286 119.154 4.132 19459 7326 1 11 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.510 -0.303 19459 7327 1 11 . 1 1 114 114 ASP C C 114 174.083 174.083 176.461 -2.378 19459 7328 1 11 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.560 0.841 19459 7329 1 11 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.103 -0.954 19459 7330 1 11 . 1 1 114 114 ASP H H 114 9.451 9.451 8.458 0.993 19459 7331 1 11 . 1 1 115 115 GLN N N 115 116.139 116.139 119.064 -2.925 19459 7332 1 11 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.121 0.624 19459 7333 1 11 . 1 1 115 115 GLN C C 115 173.639 173.639 176.784 -3.145 19459 7334 1 11 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.301 -3.118 19459 7335 1 11 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.736 3.587 19459 7336 1 11 . 1 1 115 115 GLN H H 115 7.305 7.305 7.729 -0.424 19459 7337 1 11 . 1 1 116 116 GLU N N 116 120.881 120.881 128.333 -7.452 19459 7338 1 11 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.247 0.083 19459 7339 1 11 . 1 1 116 116 GLU C C 116 173.578 173.578 176.815 -3.237 19459 7340 1 11 . 1 1 116 116 GLU CA C 116 55.157 55.157 57.882 -2.725 19459 7341 1 11 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.776 -0.561 19459 7342 1 11 . 1 1 116 116 GLU H H 116 8.615 8.615 8.589 0.026 19459 7343 1 11 . 1 1 117 117 THR N N 117 119.889 119.889 110.994 8.895 19459 7344 1 11 . 1 1 117 117 THR HA H 117 3.609 3.609 4.320 -0.711 19459 7345 1 11 . 1 1 117 117 THR C C 117 176.699 176.699 171.432 5.267 19459 7346 1 11 . 1 1 117 117 THR CA C 117 61.757 61.757 61.216 0.541 19459 7347 1 11 . 1 1 117 117 THR CB C 117 69.799 69.799 69.718 0.081 19459 7348 1 11 . 1 1 117 117 THR H H 117 8.075 8.075 7.645 0.430 19459 7349 1 11 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.424 0.108 19459 7350 1 11 . 1 1 118 118 PRO C C 118 175.300 175.300 175.810 -0.510 19459 7351 1 11 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.859 -0.499 19459 7352 1 11 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.952 0.936 19459 7353 1 11 . 1 1 119 119 ILE N N 119 114.729 114.729 121.086 -6.357 19459 7354 1 11 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.334 -0.047 19459 7355 1 11 . 1 1 119 119 ILE C C 119 174.748 174.748 174.936 -0.188 19459 7356 1 11 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.361 -1.119 19459 7357 1 11 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.579 -0.395 19459 7358 1 11 . 1 1 119 119 ILE H H 119 7.874 7.874 7.993 -0.119 19459 7359 1 11 . 1 1 120 120 CYS N N 120 123.444 123.444 127.833 -4.389 19459 7360 1 11 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.894 0.656 19459 7361 1 11 . 1 1 120 120 CYS C C 120 175.583 175.583 175.342 0.241 19459 7362 1 11 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.485 -4.791 19459 7363 1 11 . 1 1 120 120 CYS CB C 120 41.450 41.450 26.821 14.629 19459 7364 1 11 . 1 1 120 120 CYS H H 120 8.583 8.583 8.810 -0.227 19459 7365 1 11 . 1 1 121 121 ASP N N 121 124.459 124.459 125.373 -0.914 19459 7366 1 11 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.504 0.803 19459 7367 1 11 . 1 1 121 121 ASP C C 121 174.495 174.495 176.334 -1.839 19459 7368 1 11 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.121 -2.904 19459 7369 1 11 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.468 2.935 19459 7370 1 11 . 1 1 121 121 ASP H H 121 9.309 9.309 8.881 0.428 19459 7371 1 12 . 1 1 2 2 CYS N N 2 117.967 117.967 118.010 -0.043 19459 7372 1 12 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.395 0.132 19459 7373 1 12 . 1 1 2 2 CYS C C 2 174.023 174.023 175.305 -1.282 19459 7374 1 12 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.651 -0.680 19459 7375 1 12 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.320 17.739 19459 7376 1 12 . 1 1 2 2 CYS H H 2 9.327 9.327 8.249 1.078 19459 7377 1 12 . 1 1 3 3 ASN N N 3 119.722 119.722 114.100 5.622 19459 7378 1 12 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.600 0.649 19459 7379 1 12 . 1 1 3 3 ASN C C 3 175.027 175.027 174.567 0.460 19459 7380 1 12 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.445 -0.932 19459 7381 1 12 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.458 2.185 19459 7382 1 12 . 1 1 3 3 ASN H H 3 8.686 8.686 8.406 0.280 19459 7383 1 12 . 1 1 4 4 ALA N N 4 122.403 122.403 118.233 4.170 19459 7384 1 12 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.660 -0.231 19459 7385 1 12 . 1 1 4 4 ALA C C 4 173.517 173.517 176.203 -2.686 19459 7386 1 12 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.387 -0.574 19459 7387 1 12 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.708 -1.721 19459 7388 1 12 . 1 1 4 4 ALA H H 4 8.401 8.401 8.369 0.032 19459 7389 1 12 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.393 -0.485 19459 7390 1 12 . 1 1 5 5 PRO C C 5 172.806 172.806 176.924 -4.118 19459 7391 1 12 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.959 -1.508 19459 7392 1 12 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.216 -0.664 19459 7393 1 12 . 1 1 6 6 GLU N N 6 121.296 121.296 114.711 6.585 19459 7394 1 12 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.445 -0.254 19459 7395 1 12 . 1 1 6 6 GLU C C 6 172.835 172.835 173.968 -1.133 19459 7396 1 12 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.863 0.312 19459 7397 1 12 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.690 0.274 19459 7398 1 12 . 1 1 6 6 GLU H H 6 8.443 8.443 8.078 0.365 19459 7399 1 12 . 1 1 7 7 TRP N N 7 124.746 124.746 122.397 2.349 19459 7400 1 12 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.961 -1.029 19459 7401 1 12 . 1 1 7 7 TRP C C 7 174.236 174.236 174.605 -0.369 19459 7402 1 12 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.560 3.352 19459 7403 1 12 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.200 -1.167 19459 7404 1 12 . 1 1 7 7 TRP H H 7 8.674 8.674 8.393 0.281 19459 7405 1 12 . 1 1 8 8 LEU N N 8 125.782 125.782 130.723 -4.941 19459 7406 1 12 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.212 0.344 19459 7407 1 12 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.935 0.030 19459 7408 1 12 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.475 -0.582 19459 7409 1 12 . 1 1 8 8 LEU H H 8 7.922 7.922 8.004 -0.082 19459 7410 1 12 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.203 0.395 19459 7411 1 12 . 1 1 9 9 PRO C C 9 172.961 172.961 177.212 -4.251 19459 7412 1 12 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.255 -0.715 19459 7413 1 12 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.334 0.103 19459 7414 1 12 . 1 1 10 10 PHE N N 10 106.863 106.863 115.491 -8.628 19459 7415 1 12 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.106 -0.497 19459 7416 1 12 . 1 1 10 10 PHE C C 10 175.535 175.535 175.202 0.333 19459 7417 1 12 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.043 -3.186 19459 7418 1 12 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.901 2.874 19459 7419 1 12 . 1 1 10 10 PHE H H 10 5.588 5.588 7.106 -1.518 19459 7420 1 12 . 1 1 11 11 ALA N N 11 121.214 121.214 118.790 2.424 19459 7421 1 12 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.461 -0.318 19459 7422 1 12 . 1 1 11 11 ALA C C 11 175.918 175.918 175.893 0.025 19459 7423 1 12 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.496 1.372 19459 7424 1 12 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.581 3.150 19459 7425 1 12 . 1 1 11 11 ALA H H 11 6.349 6.349 7.156 -0.807 19459 7426 1 12 . 1 1 12 12 ARG N N 12 117.160 117.160 122.538 -5.378 19459 7427 1 12 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.807 -0.110 19459 7428 1 12 . 1 1 12 12 ARG C C 12 178.499 178.499 173.557 4.942 19459 7429 1 12 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.250 0.615 19459 7430 1 12 . 1 1 12 12 ARG H H 12 9.219 9.219 7.845 1.374 19459 7431 1 12 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.632 -0.963 19459 7432 1 12 . 1 1 13 13 PRO C C 13 171.555 171.555 177.264 -5.709 19459 7433 1 12 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.407 -1.026 19459 7434 1 12 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.242 -0.695 19459 7435 1 12 . 1 1 14 14 THR N N 14 112.823 112.823 113.311 -0.488 19459 7436 1 12 . 1 1 14 14 THR HA H 14 3.905 3.905 4.231 -0.326 19459 7437 1 12 . 1 1 14 14 THR C C 14 174.364 174.364 175.090 -0.726 19459 7438 1 12 . 1 1 14 14 THR CA C 14 63.180 63.180 63.322 -0.142 19459 7439 1 12 . 1 1 14 14 THR CB C 14 68.154 68.154 68.918 -0.764 19459 7440 1 12 . 1 1 14 14 THR H H 14 8.062 8.062 8.242 -0.180 19459 7441 1 12 . 1 1 15 15 GLN N N 15 119.736 119.736 119.134 0.602 19459 7442 1 12 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.499 0.002 19459 7443 1 12 . 1 1 15 15 GLN C C 15 174.815 174.815 177.095 -2.280 19459 7444 1 12 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.386 -3.019 19459 7445 1 12 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.166 1.950 19459 7446 1 12 . 1 1 15 15 GLN H H 15 7.758 7.758 7.860 -0.102 19459 7447 1 12 . 1 1 16 16 LEU N N 16 124.583 124.583 120.847 3.736 19459 7448 1 12 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.467 -0.106 19459 7449 1 12 . 1 1 16 16 LEU C C 16 172.167 172.167 178.674 -6.507 19459 7450 1 12 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.392 -2.095 19459 7451 1 12 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.821 0.213 19459 7452 1 12 . 1 1 16 16 LEU H H 16 8.458 8.458 8.056 0.402 19459 7453 1 12 . 1 1 17 17 THR N N 17 116.730 116.730 113.543 3.187 19459 7454 1 12 . 1 1 17 17 THR HA H 17 4.633 4.633 3.703 0.930 19459 7455 1 12 . 1 1 17 17 THR C C 17 175.703 175.703 175.951 -0.248 19459 7456 1 12 . 1 1 17 17 THR CA C 17 60.358 60.358 65.394 -5.036 19459 7457 1 12 . 1 1 17 17 THR CB C 17 70.110 70.110 68.457 1.653 19459 7458 1 12 . 1 1 17 17 THR H H 17 8.325 8.325 8.218 0.107 19459 7459 1 12 . 1 1 18 18 ASP N N 18 122.839 122.839 119.073 3.766 19459 7460 1 12 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.867 -0.125 19459 7461 1 12 . 1 1 18 18 ASP C C 18 173.642 173.642 175.260 -1.618 19459 7462 1 12 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.354 -1.141 19459 7463 1 12 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.210 -2.288 19459 7464 1 12 . 1 1 18 18 ASP H H 18 8.487 8.487 7.658 0.829 19459 7465 1 12 . 1 1 19 19 GLU N N 19 120.523 120.523 117.835 2.688 19459 7466 1 12 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.537 -0.464 19459 7467 1 12 . 1 1 19 19 GLU C C 19 174.249 174.249 176.663 -2.414 19459 7468 1 12 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.497 0.653 19459 7469 1 12 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.693 -0.350 19459 7470 1 12 . 1 1 19 19 GLU H H 19 7.931 7.931 7.674 0.257 19459 7471 1 12 . 1 1 20 20 PHE N N 20 118.500 118.500 121.857 -3.357 19459 7472 1 12 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.387 0.359 19459 7473 1 12 . 1 1 20 20 PHE C C 20 174.885 174.885 176.394 -1.509 19459 7474 1 12 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.129 -4.615 19459 7475 1 12 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.576 0.907 19459 7476 1 12 . 1 1 20 20 PHE H H 20 8.279 8.279 8.769 -0.490 19459 7477 1 12 . 1 1 21 21 GLU N N 21 117.080 117.080 117.941 -0.861 19459 7478 1 12 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.712 0.298 19459 7479 1 12 . 1 1 21 21 GLU C C 21 174.900 174.900 175.360 -0.460 19459 7480 1 12 . 1 1 21 21 GLU CA C 21 54.273 54.273 56.089 -1.816 19459 7481 1 12 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.502 -0.129 19459 7482 1 12 . 1 1 21 21 GLU H H 21 7.022 7.022 8.053 -1.031 19459 7483 1 12 . 1 1 22 22 PHE N N 22 119.655 119.655 120.515 -0.860 19459 7484 1 12 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.875 0.094 19459 7485 1 12 . 1 1 22 22 PHE C C 22 176.708 176.708 173.292 3.416 19459 7486 1 12 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.438 -0.662 19459 7487 1 12 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.592 -0.846 19459 7488 1 12 . 1 1 22 22 PHE H H 22 8.974 8.974 8.255 0.719 19459 7489 1 12 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.697 -0.109 19459 7490 1 12 . 1 1 23 23 PRO C C 23 171.163 171.163 176.176 -5.013 19459 7491 1 12 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.206 0.211 19459 7492 1 12 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.751 -0.096 19459 7493 1 12 . 1 1 24 24 ILE N N 24 123.238 123.238 119.598 3.640 19459 7494 1 12 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.741 -0.331 19459 7495 1 12 . 1 1 24 24 ILE C C 24 172.283 172.283 177.571 -5.288 19459 7496 1 12 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.846 1.200 19459 7497 1 12 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.670 -0.221 19459 7498 1 12 . 1 1 24 24 ILE H H 24 8.199 8.199 8.474 -0.275 19459 7499 1 12 . 1 1 25 25 GLY N N 25 115.962 115.962 114.359 1.603 19459 7500 1 12 . 1 1 25 25 GLY C C 25 174.927 174.927 174.086 0.841 19459 7501 1 12 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.809 -0.386 19459 7502 1 12 . 1 1 25 25 GLY H H 25 9.061 9.061 8.700 0.361 19459 7503 1 12 . 1 1 26 26 THR N N 26 117.152 117.152 117.625 -0.473 19459 7504 1 12 . 1 1 26 26 THR HA H 26 4.081 4.081 4.591 -0.510 19459 7505 1 12 . 1 1 26 26 THR C C 26 176.723 176.723 173.370 3.353 19459 7506 1 12 . 1 1 26 26 THR CA C 26 65.711 65.711 61.643 4.068 19459 7507 1 12 . 1 1 26 26 THR CB C 26 70.084 70.084 70.443 -0.359 19459 7508 1 12 . 1 1 26 26 THR H H 26 7.704 7.704 7.273 0.431 19459 7509 1 12 . 1 1 27 27 TYR N N 27 125.094 125.094 125.430 -0.336 19459 7510 1 12 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.673 1.119 19459 7511 1 12 . 1 1 27 27 TYR C C 27 173.835 173.835 175.006 -1.171 19459 7512 1 12 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.691 -1.828 19459 7513 1 12 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.603 1.273 19459 7514 1 12 . 1 1 27 27 TYR H H 27 8.542 8.542 8.746 -0.204 19459 7515 1 12 . 1 1 28 28 LEU N N 28 120.714 120.714 123.827 -3.113 19459 7516 1 12 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.635 0.149 19459 7517 1 12 . 1 1 28 28 LEU C C 28 172.808 172.808 176.513 -3.705 19459 7518 1 12 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.401 -0.218 19459 7519 1 12 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.899 2.039 19459 7520 1 12 . 1 1 28 28 LEU H H 28 9.000 9.000 8.384 0.616 19459 7521 1 12 . 1 1 29 29 ASN N N 29 121.617 121.617 121.135 0.482 19459 7522 1 12 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.830 0.070 19459 7523 1 12 . 1 1 29 29 ASN C C 29 174.783 174.783 173.851 0.932 19459 7524 1 12 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.520 1.712 19459 7525 1 12 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.697 0.494 19459 7526 1 12 . 1 1 29 29 ASN H H 29 8.544 8.544 8.862 -0.318 19459 7527 1 12 . 1 1 30 30 TYR N N 30 126.738 126.738 124.137 2.601 19459 7528 1 12 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.589 0.097 19459 7529 1 12 . 1 1 30 30 TYR C C 30 174.911 174.911 175.311 -0.400 19459 7530 1 12 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.097 -0.196 19459 7531 1 12 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.853 3.989 19459 7532 1 12 . 1 1 30 30 TYR H H 30 9.324 9.324 7.904 1.420 19459 7533 1 12 . 1 1 31 31 GLU N N 31 114.116 114.116 122.540 -8.424 19459 7534 1 12 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.580 0.130 19459 7535 1 12 . 1 1 31 31 GLU C C 31 173.694 173.694 174.756 -1.062 19459 7536 1 12 . 1 1 31 31 GLU CA C 31 53.119 53.119 55.489 -2.370 19459 7537 1 12 . 1 1 31 31 GLU CB C 31 32.626 32.626 31.991 0.634 19459 7538 1 12 . 1 1 31 31 GLU H H 31 8.553 8.553 8.484 0.069 19459 7539 1 12 . 1 1 32 32 CYS N N 32 121.086 121.086 122.976 -1.890 19459 7540 1 12 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.104 -0.053 19459 7541 1 12 . 1 1 32 32 CYS C C 32 173.553 173.553 175.636 -2.083 19459 7542 1 12 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.373 -3.893 19459 7543 1 12 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.459 9.027 19459 7544 1 12 . 1 1 32 32 CYS H H 32 9.784 9.784 8.857 0.927 19459 7545 1 12 . 1 1 33 33 ARG N N 33 123.418 123.418 122.978 0.440 19459 7546 1 12 . 1 1 33 33 ARG C C 33 176.822 176.822 174.555 2.267 19459 7547 1 12 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.070 1.241 19459 7548 1 12 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.643 -0.300 19459 7549 1 12 . 1 1 33 33 ARG H H 33 7.898 7.898 8.300 -0.402 19459 7550 1 12 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.254 0.126 19459 7551 1 12 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.990 0.065 19459 7552 1 12 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.650 -0.315 19459 7553 1 12 . 1 1 35 35 GLY N N 35 111.039 111.039 108.363 2.676 19459 7554 1 12 . 1 1 35 35 GLY C C 35 177.546 177.546 174.070 3.476 19459 7555 1 12 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.540 -0.641 19459 7556 1 12 . 1 1 35 35 GLY H H 35 8.378 8.378 8.466 -0.088 19459 7557 1 12 . 1 1 36 36 TYR N N 36 116.682 116.682 119.257 -2.575 19459 7558 1 12 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.676 0.345 19459 7559 1 12 . 1 1 36 36 TYR C C 36 174.005 174.005 176.409 -2.404 19459 7560 1 12 . 1 1 36 36 TYR CA C 36 56.495 56.495 57.521 -1.026 19459 7561 1 12 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.424 2.557 19459 7562 1 12 . 1 1 36 36 TYR H H 36 8.175 8.175 7.257 0.918 19459 7563 1 12 . 1 1 37 37 SER N N 37 115.855 115.855 118.366 -2.511 19459 7564 1 12 . 1 1 37 37 SER HA H 37 4.819 4.819 4.215 0.604 19459 7565 1 12 . 1 1 37 37 SER C C 37 175.442 175.442 175.761 -0.319 19459 7566 1 12 . 1 1 37 37 SER CA C 37 56.534 56.534 60.285 -3.752 19459 7567 1 12 . 1 1 37 37 SER CB C 37 65.642 65.642 63.455 2.187 19459 7568 1 12 . 1 1 37 37 SER H H 37 9.711 9.711 8.410 1.301 19459 7569 1 12 . 1 1 38 38 GLY N N 38 113.435 113.435 108.809 4.626 19459 7570 1 12 . 1 1 38 38 GLY C C 38 175.876 175.876 173.233 2.643 19459 7571 1 12 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.628 0.640 19459 7572 1 12 . 1 1 38 38 GLY H H 38 8.288 8.288 7.842 0.446 19459 7573 1 12 . 1 1 39 39 ARG N N 39 124.199 124.199 119.241 4.958 19459 7574 1 12 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.597 0.142 19459 7575 1 12 . 1 1 39 39 ARG C C 39 175.413 175.413 173.858 1.555 19459 7576 1 12 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.113 2.627 19459 7577 1 12 . 1 1 39 39 ARG CB C 39 29.634 29.634 31.600 -1.966 19459 7578 1 12 . 1 1 39 39 ARG H H 39 8.350 8.350 8.333 0.017 19459 7579 1 12 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.322 0.336 19459 7580 1 12 . 1 1 40 40 PRO C C 40 173.702 173.702 175.229 -1.527 19459 7581 1 12 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.982 1.488 19459 7582 1 12 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.094 0.094 19459 7583 1 12 . 1 1 41 41 PHE N N 41 118.388 118.388 120.407 -2.019 19459 7584 1 12 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.708 0.455 19459 7585 1 12 . 1 1 41 41 PHE C C 41 176.886 176.886 175.020 1.866 19459 7586 1 12 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.410 0.157 19459 7587 1 12 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.081 -0.817 19459 7588 1 12 . 1 1 41 41 PHE H H 41 8.017 8.017 7.764 0.253 19459 7589 1 12 . 1 1 42 42 SER N N 42 114.056 114.056 115.707 -1.651 19459 7590 1 12 . 1 1 42 42 SER HA H 42 5.771 5.771 4.648 1.123 19459 7591 1 12 . 1 1 42 42 SER C C 42 174.978 174.978 175.042 -0.064 19459 7592 1 12 . 1 1 42 42 SER CA C 42 56.668 56.668 57.892 -1.224 19459 7593 1 12 . 1 1 42 42 SER CB C 42 66.152 66.152 64.286 1.866 19459 7594 1 12 . 1 1 42 42 SER H H 42 8.540 8.540 8.551 -0.011 19459 7595 1 12 . 1 1 43 43 ILE N N 43 115.669 115.669 117.916 -2.247 19459 7596 1 12 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.201 0.864 19459 7597 1 12 . 1 1 43 43 ILE C C 43 174.535 174.535 176.112 -1.577 19459 7598 1 12 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.393 -0.349 19459 7599 1 12 . 1 1 43 43 ILE CB C 43 40.355 40.355 37.888 2.467 19459 7600 1 12 . 1 1 43 43 ILE H H 43 8.637 8.637 8.299 0.338 19459 7601 1 12 . 1 1 44 44 ILE N N 44 120.215 120.215 118.799 1.416 19459 7602 1 12 . 1 1 44 44 ILE HA H 44 5.286 5.286 3.934 1.352 19459 7603 1 12 . 1 1 44 44 ILE C C 44 174.033 174.033 176.797 -2.764 19459 7604 1 12 . 1 1 44 44 ILE CA C 44 59.656 59.656 62.479 -2.823 19459 7605 1 12 . 1 1 44 44 ILE CB C 44 42.330 42.330 36.398 5.932 19459 7606 1 12 . 1 1 44 44 ILE H H 44 8.687 8.687 7.626 1.061 19459 7607 1 12 . 1 1 45 45 CYS N N 45 126.257 126.257 126.441 -0.184 19459 7608 1 12 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.168 -0.416 19459 7609 1 12 . 1 1 45 45 CYS C C 45 174.946 174.946 176.274 -1.328 19459 7610 1 12 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.658 -4.592 19459 7611 1 12 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.800 14.810 19459 7612 1 12 . 1 1 45 45 CYS H H 45 7.993 7.993 8.784 -0.791 19459 7613 1 12 . 1 1 46 46 LEU N N 46 132.514 132.514 123.801 8.713 19459 7614 1 12 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.221 0.195 19459 7615 1 12 . 1 1 46 46 LEU C C 46 172.195 172.195 177.301 -5.106 19459 7616 1 12 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.614 -2.270 19459 7617 1 12 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.464 1.740 19459 7618 1 12 . 1 1 46 46 LEU H H 46 8.826 8.826 8.221 0.605 19459 7619 1 12 . 1 1 47 47 LYS N N 47 115.254 115.254 120.498 -5.244 19459 7620 1 12 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.213 -0.225 19459 7621 1 12 . 1 1 47 47 LYS C C 47 173.781 173.781 176.148 -2.367 19459 7622 1 12 . 1 1 47 47 LYS CA C 47 57.983 57.983 56.256 1.727 19459 7623 1 12 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.229 -1.021 19459 7624 1 12 . 1 1 47 47 LYS H H 47 7.949 7.949 7.815 0.134 19459 7625 1 12 . 1 1 48 48 ASN N N 48 115.283 115.283 122.745 -7.462 19459 7626 1 12 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.387 0.149 19459 7627 1 12 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.236 -0.696 19459 7628 1 12 . 1 1 48 48 ASN CB C 48 36.372 36.372 36.756 -0.384 19459 7629 1 12 . 1 1 48 48 ASN H H 48 8.432 8.432 9.169 -0.737 19459 7630 1 12 . 1 1 49 49 SER N N 49 110.595 110.595 104.999 5.596 19459 7631 1 12 . 1 1 49 49 SER HA H 49 3.969 3.969 4.011 -0.042 19459 7632 1 12 . 1 1 49 49 SER CA C 49 59.790 59.790 59.993 -0.203 19459 7633 1 12 . 1 1 49 49 SER CB C 49 60.870 60.870 62.123 -1.253 19459 7634 1 12 . 1 1 49 49 SER H H 49 8.457 8.457 7.926 0.531 19459 7635 1 12 . 1 1 50 50 VAL N N 50 117.680 117.680 118.778 -1.098 19459 7636 1 12 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.984 0.349 19459 7637 1 12 . 1 1 50 50 VAL C C 50 175.347 175.347 176.391 -1.044 19459 7638 1 12 . 1 1 50 50 VAL CA C 50 59.884 59.884 64.127 -4.244 19459 7639 1 12 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.708 2.129 19459 7640 1 12 . 1 1 50 50 VAL H H 50 6.840 6.840 7.832 -0.992 19459 7641 1 12 . 1 1 51 51 TRP N N 51 123.510 123.510 115.679 7.831 19459 7642 1 12 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.996 0.326 19459 7643 1 12 . 1 1 51 51 TRP C C 51 170.736 170.736 177.373 -6.637 19459 7644 1 12 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.849 -0.911 19459 7645 1 12 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.686 -1.895 19459 7646 1 12 . 1 1 51 51 TRP H H 51 8.310 8.310 7.531 0.779 19459 7647 1 12 . 1 1 52 52 THR N N 52 115.962 115.962 113.117 2.845 19459 7648 1 12 . 1 1 52 52 THR HA H 52 4.656 4.656 4.128 0.528 19459 7649 1 12 . 1 1 52 52 THR C C 52 175.780 175.780 175.869 -0.089 19459 7650 1 12 . 1 1 52 52 THR CA C 52 61.376 61.376 64.123 -2.747 19459 7651 1 12 . 1 1 52 52 THR CB C 52 70.723 70.723 69.193 1.530 19459 7652 1 12 . 1 1 52 52 THR H H 52 9.026 9.026 9.396 -0.370 19459 7653 1 12 . 1 1 53 53 GLY N N 53 108.521 108.521 110.786 -2.265 19459 7654 1 12 . 1 1 53 53 GLY C C 53 174.881 174.881 173.622 1.259 19459 7655 1 12 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.328 1.016 19459 7656 1 12 . 1 1 53 53 GLY H H 53 8.292 8.292 8.079 0.213 19459 7657 1 12 . 1 1 54 54 ALA N N 54 121.857 121.857 126.217 -4.360 19459 7658 1 12 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.503 -0.350 19459 7659 1 12 . 1 1 54 54 ALA C C 54 172.786 172.786 176.523 -3.737 19459 7660 1 12 . 1 1 54 54 ALA CA C 54 51.697 51.697 51.164 0.533 19459 7661 1 12 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.774 1.940 19459 7662 1 12 . 1 1 54 54 ALA H H 54 8.443 8.443 8.189 0.254 19459 7663 1 12 . 1 1 55 55 LYS N N 55 118.318 118.318 121.595 -3.277 19459 7664 1 12 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.494 -0.750 19459 7665 1 12 . 1 1 55 55 LYS C C 55 172.519 172.519 176.122 -3.603 19459 7666 1 12 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.121 2.823 19459 7667 1 12 . 1 1 55 55 LYS CB C 55 32.632 32.632 34.462 -1.830 19459 7668 1 12 . 1 1 55 55 LYS H H 55 7.612 7.612 7.431 0.181 19459 7669 1 12 . 1 1 56 56 ASP N N 56 119.214 119.214 116.865 2.349 19459 7670 1 12 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.455 -0.338 19459 7671 1 12 . 1 1 56 56 ASP C C 56 173.700 173.700 176.463 -2.763 19459 7672 1 12 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.541 -0.157 19459 7673 1 12 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.931 -0.761 19459 7674 1 12 . 1 1 56 56 ASP H H 56 8.555 8.555 8.878 -0.323 19459 7675 1 12 . 1 1 57 57 ARG N N 57 116.006 116.006 118.103 -2.097 19459 7676 1 12 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.128 -0.248 19459 7677 1 12 . 1 1 57 57 ARG C C 57 171.638 171.638 175.626 -3.988 19459 7678 1 12 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.684 -1.757 19459 7679 1 12 . 1 1 57 57 ARG CB C 57 32.157 32.157 29.884 2.273 19459 7680 1 12 . 1 1 57 57 ARG H H 57 7.352 7.352 8.634 -1.282 19459 7681 1 12 . 1 1 58 58 CYS N N 58 115.000 115.000 116.443 -1.443 19459 7682 1 12 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.519 1.055 19459 7683 1 12 . 1 1 58 58 CYS C C 58 175.576 175.576 173.680 1.896 19459 7684 1 12 . 1 1 58 58 CYS CA C 58 52.852 52.852 56.719 -3.867 19459 7685 1 12 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.319 15.257 19459 7686 1 12 . 1 1 58 58 CYS H H 58 7.587 7.587 7.666 -0.079 19459 7687 1 12 . 1 1 59 59 ARG N N 59 123.440 123.440 121.390 2.050 19459 7688 1 12 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.443 0.317 19459 7689 1 12 . 1 1 59 59 ARG C C 59 173.566 173.566 175.014 -1.448 19459 7690 1 12 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.587 -0.347 19459 7691 1 12 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.561 -0.759 19459 7692 1 12 . 1 1 59 59 ARG H H 59 8.984 8.984 8.560 0.424 19459 7693 1 12 . 1 1 60 60 ARG N N 60 125.644 125.644 124.588 1.056 19459 7694 1 12 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.077 -0.426 19459 7695 1 12 . 1 1 60 60 ARG C C 60 172.119 172.119 175.329 -3.210 19459 7696 1 12 . 1 1 60 60 ARG CA C 60 58.298 58.298 56.355 1.943 19459 7697 1 12 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.067 0.201 19459 7698 1 12 . 1 1 60 60 ARG H H 60 9.163 9.163 8.585 0.578 19459 7699 1 12 . 1 1 61 61 LYS N N 61 124.217 124.217 124.380 -0.163 19459 7700 1 12 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.353 -0.236 19459 7701 1 12 . 1 1 61 61 LYS C C 61 173.791 173.791 175.700 -1.909 19459 7702 1 12 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.080 2.118 19459 7703 1 12 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.146 1.068 19459 7704 1 12 . 1 1 61 61 LYS H H 61 8.601 8.601 8.183 0.418 19459 7705 1 12 . 1 1 62 62 SER N N 62 114.120 114.120 115.680 -1.560 19459 7706 1 12 . 1 1 62 62 SER HA H 62 4.765 4.765 4.366 0.399 19459 7707 1 12 . 1 1 62 62 SER C C 62 175.019 175.019 174.156 0.863 19459 7708 1 12 . 1 1 62 62 SER CA C 62 58.227 58.227 58.772 -0.545 19459 7709 1 12 . 1 1 62 62 SER CB C 62 65.387 65.387 63.897 1.490 19459 7710 1 12 . 1 1 62 62 SER H H 62 8.494 8.494 8.372 0.122 19459 7711 1 12 . 1 1 63 63 CYS N N 63 122.858 122.858 122.631 0.227 19459 7712 1 12 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.554 -0.486 19459 7713 1 12 . 1 1 63 63 CYS C C 63 176.076 176.076 174.381 1.695 19459 7714 1 12 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.894 2.373 19459 7715 1 12 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.051 12.717 19459 7716 1 12 . 1 1 63 63 CYS H H 63 8.359 8.359 8.744 -0.385 19459 7717 1 12 . 1 1 64 64 ARG N N 64 118.145 118.145 124.693 -6.548 19459 7718 1 12 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.726 -0.560 19459 7719 1 12 . 1 1 64 64 ARG C C 64 173.077 173.077 174.214 -1.137 19459 7720 1 12 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.386 1.594 19459 7721 1 12 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.234 -1.775 19459 7722 1 12 . 1 1 64 64 ARG H H 64 8.496 8.496 8.615 -0.119 19459 7723 1 12 . 1 1 65 65 ASN N N 65 122.302 122.302 120.997 1.305 19459 7724 1 12 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.044 -0.310 19459 7725 1 12 . 1 1 65 65 ASN C C 65 175.117 175.117 174.165 0.952 19459 7726 1 12 . 1 1 65 65 ASN CA C 65 52.112 52.112 50.689 1.423 19459 7727 1 12 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.171 -0.804 19459 7728 1 12 . 1 1 65 65 ASN H H 65 8.691 8.691 8.922 -0.231 19459 7729 1 12 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.248 0.235 19459 7730 1 12 . 1 1 67 67 PRO C C 67 172.228 172.228 176.510 -4.282 19459 7731 1 12 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.604 -1.938 19459 7732 1 12 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.822 0.665 19459 7733 1 12 . 1 1 68 68 ASP N N 68 118.184 118.184 117.154 1.030 19459 7734 1 12 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.362 0.280 19459 7735 1 12 . 1 1 68 68 ASP C C 68 173.951 173.951 173.912 0.039 19459 7736 1 12 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.236 -1.058 19459 7737 1 12 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.647 0.852 19459 7738 1 12 . 1 1 68 68 ASP H H 68 8.201 8.201 7.948 0.253 19459 7739 1 12 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.514 -0.278 19459 7740 1 12 . 1 1 69 69 PRO C C 69 172.350 172.350 177.407 -5.057 19459 7741 1 12 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.564 -0.653 19459 7742 1 12 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.462 -1.228 19459 7743 1 12 . 1 1 70 70 VAL N N 70 125.745 125.745 122.224 3.521 19459 7744 1 12 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.703 -0.044 19459 7745 1 12 . 1 1 70 70 VAL C C 70 171.231 171.231 177.735 -6.504 19459 7746 1 12 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.630 0.034 19459 7747 1 12 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.518 -0.667 19459 7748 1 12 . 1 1 70 70 VAL H H 70 8.251 8.251 8.594 -0.343 19459 7749 1 12 . 1 1 71 71 ASN N N 71 119.702 119.702 118.946 0.756 19459 7750 1 12 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.526 -0.525 19459 7751 1 12 . 1 1 71 71 ASN C C 71 176.167 176.167 175.910 0.257 19459 7752 1 12 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.809 0.711 19459 7753 1 12 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.826 -2.584 19459 7754 1 12 . 1 1 71 71 ASN H H 71 8.994 8.994 8.075 0.919 19459 7755 1 12 . 1 1 72 72 GLY N N 72 104.254 104.254 104.608 -0.354 19459 7756 1 12 . 1 1 72 72 GLY C C 72 177.732 177.732 173.198 4.534 19459 7757 1 12 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.679 2.419 19459 7758 1 12 . 1 1 72 72 GLY H H 72 7.637 7.637 8.273 -0.636 19459 7759 1 12 . 1 1 73 73 MET N N 73 116.529 116.529 120.541 -4.012 19459 7760 1 12 . 1 1 73 73 MET HA H 73 4.887 4.887 4.680 0.207 19459 7761 1 12 . 1 1 73 73 MET C C 73 175.128 175.128 173.897 1.231 19459 7762 1 12 . 1 1 73 73 MET CA C 73 54.890 54.890 54.873 0.017 19459 7763 1 12 . 1 1 73 73 MET CB C 73 36.837 36.837 34.328 2.510 19459 7764 1 12 . 1 1 73 73 MET H H 73 8.819 8.819 7.850 0.969 19459 7765 1 12 . 1 1 74 74 VAL N N 74 122.511 122.511 125.648 -3.137 19459 7766 1 12 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.972 -0.369 19459 7767 1 12 . 1 1 74 74 VAL C C 74 176.573 176.573 174.231 2.342 19459 7768 1 12 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.155 -0.146 19459 7769 1 12 . 1 1 74 74 VAL CB C 74 34.502 34.502 33.965 0.537 19459 7770 1 12 . 1 1 74 74 VAL H H 74 8.796 8.796 8.250 0.546 19459 7771 1 12 . 1 1 75 75 HIS N N 75 125.200 125.200 126.207 -1.007 19459 7772 1 12 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.860 -0.146 19459 7773 1 12 . 1 1 75 75 HIS C C 75 175.500 175.500 173.788 1.712 19459 7774 1 12 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.523 -0.838 19459 7775 1 12 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.639 -4.631 19459 7776 1 12 . 1 1 75 75 HIS H H 75 8.977 8.977 8.397 0.580 19459 7777 1 12 . 1 1 76 76 VAL N N 76 127.456 127.456 123.379 4.077 19459 7778 1 12 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.096 0.076 19459 7779 1 12 . 1 1 76 76 VAL C C 76 173.257 173.257 175.552 -2.295 19459 7780 1 12 . 1 1 76 76 VAL CA C 76 62.198 62.198 62.156 0.042 19459 7781 1 12 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.541 -2.201 19459 7782 1 12 . 1 1 76 76 VAL H H 76 8.926 8.926 8.736 0.190 19459 7783 1 12 . 1 1 77 77 ILE N N 77 126.756 126.756 128.702 -1.946 19459 7784 1 12 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.101 0.050 19459 7785 1 12 . 1 1 77 77 ILE C C 77 172.744 172.744 176.979 -4.235 19459 7786 1 12 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.895 -0.961 19459 7787 1 12 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.730 0.442 19459 7788 1 12 . 1 1 77 77 ILE H H 77 7.978 7.978 9.025 -1.047 19459 7789 1 12 . 1 1 78 78 LYS N N 78 123.427 123.427 119.071 4.356 19459 7790 1 12 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.359 0.218 19459 7791 1 12 . 1 1 78 78 LYS C C 78 172.800 172.800 176.799 -3.999 19459 7792 1 12 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.731 -0.348 19459 7793 1 12 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.769 0.083 19459 7794 1 12 . 1 1 78 78 LYS H H 78 9.415 9.415 7.829 1.586 19459 7795 1 12 . 1 1 79 79 GLY N N 79 108.777 108.777 108.773 0.004 19459 7796 1 12 . 1 1 79 79 GLY C C 79 176.221 176.221 174.042 2.179 19459 7797 1 12 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.331 0.551 19459 7798 1 12 . 1 1 79 79 GLY H H 79 7.857 7.857 7.824 0.033 19459 7799 1 12 . 1 1 80 80 ILE N N 80 109.131 109.131 124.728 -15.597 19459 7800 1 12 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.136 0.822 19459 7801 1 12 . 1 1 80 80 ILE C C 80 174.883 174.883 175.443 -0.560 19459 7802 1 12 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.625 -0.968 19459 7803 1 12 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.835 2.876 19459 7804 1 12 . 1 1 80 80 ILE H H 80 8.076 8.076 8.506 -0.430 19459 7805 1 12 . 1 1 81 81 GLN N N 81 116.732 116.732 124.387 -7.655 19459 7806 1 12 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.496 0.170 19459 7807 1 12 . 1 1 81 81 GLN C C 81 172.989 172.989 173.813 -0.824 19459 7808 1 12 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.307 1.194 19459 7809 1 12 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.637 -1.963 19459 7810 1 12 . 1 1 81 81 GLN H H 81 7.682 7.682 8.498 -0.816 19459 7811 1 12 . 1 1 82 82 PHE N N 82 119.773 119.773 122.814 -3.041 19459 7812 1 12 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.246 -0.366 19459 7813 1 12 . 1 1 82 82 PHE C C 82 173.680 173.680 176.498 -2.818 19459 7814 1 12 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.316 -0.631 19459 7815 1 12 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.439 0.680 19459 7816 1 12 . 1 1 82 82 PHE H H 82 8.615 8.615 8.823 -0.208 19459 7817 1 12 . 1 1 83 83 GLY N N 83 119.507 119.507 114.730 4.777 19459 7818 1 12 . 1 1 83 83 GLY C C 83 174.662 174.662 173.865 0.797 19459 7819 1 12 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.592 -0.100 19459 7820 1 12 . 1 1 83 83 GLY H H 83 9.086 9.086 8.291 0.795 19459 7821 1 12 . 1 1 84 84 SER N N 84 118.128 118.128 115.336 2.792 19459 7822 1 12 . 1 1 84 84 SER HA H 84 4.415 4.415 4.421 -0.006 19459 7823 1 12 . 1 1 84 84 SER C C 84 177.247 177.247 173.374 3.873 19459 7824 1 12 . 1 1 84 84 SER CA C 84 60.111 60.111 58.121 1.990 19459 7825 1 12 . 1 1 84 84 SER CB C 84 64.281 64.281 65.210 -0.929 19459 7826 1 12 . 1 1 84 84 SER H H 84 8.573 8.573 7.662 0.911 19459 7827 1 12 . 1 1 85 85 GLN N N 85 119.913 119.913 120.995 -1.082 19459 7828 1 12 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.928 -0.109 19459 7829 1 12 . 1 1 85 85 GLN C C 85 172.795 172.795 174.216 -1.421 19459 7830 1 12 . 1 1 85 85 GLN CA C 85 54.165 54.165 55.198 -1.033 19459 7831 1 12 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.916 -0.172 19459 7832 1 12 . 1 1 85 85 GLN H H 85 8.211 8.211 8.649 -0.438 19459 7833 1 12 . 1 1 86 86 ILE N N 86 119.724 119.724 121.092 -1.368 19459 7834 1 12 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.063 -0.306 19459 7835 1 12 . 1 1 86 86 ILE C C 86 174.969 174.969 173.264 1.705 19459 7836 1 12 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.051 1.776 19459 7837 1 12 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.918 -1.124 19459 7838 1 12 . 1 1 86 86 ILE H H 86 9.215 9.215 8.779 0.436 19459 7839 1 12 . 1 1 87 87 LYS N N 87 117.135 117.135 120.653 -3.518 19459 7840 1 12 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.001 0.234 19459 7841 1 12 . 1 1 87 87 LYS C C 87 174.599 174.599 176.021 -1.422 19459 7842 1 12 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.476 -0.763 19459 7843 1 12 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.471 2.356 19459 7844 1 12 . 1 1 87 87 LYS H H 87 7.600 7.600 8.886 -1.286 19459 7845 1 12 . 1 1 88 88 TYR N N 88 119.004 119.004 122.814 -3.810 19459 7846 1 12 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.718 0.704 19459 7847 1 12 . 1 1 88 88 TYR C C 88 174.407 174.407 174.811 -0.404 19459 7848 1 12 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.970 -0.035 19459 7849 1 12 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.381 5.578 19459 7850 1 12 . 1 1 88 88 TYR H H 88 8.601 8.601 8.968 -0.367 19459 7851 1 12 . 1 1 89 89 SER N N 89 113.228 113.228 115.978 -2.750 19459 7852 1 12 . 1 1 89 89 SER HA H 89 4.668 4.668 4.656 0.012 19459 7853 1 12 . 1 1 89 89 SER C C 89 177.136 177.136 174.825 2.311 19459 7854 1 12 . 1 1 89 89 SER CA C 89 57.291 57.291 58.903 -1.612 19459 7855 1 12 . 1 1 89 89 SER CB C 89 66.534 66.534 62.560 3.974 19459 7856 1 12 . 1 1 89 89 SER H H 89 9.007 9.007 7.990 1.017 19459 7857 1 12 . 1 1 90 90 CYS N N 90 116.009 116.009 124.806 -8.797 19459 7858 1 12 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.218 1.203 19459 7859 1 12 . 1 1 90 90 CYS C C 90 173.812 173.812 174.291 -0.479 19459 7860 1 12 . 1 1 90 90 CYS CA C 90 53.084 53.084 59.158 -6.074 19459 7861 1 12 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.001 14.403 19459 7862 1 12 . 1 1 90 90 CYS H H 90 8.806 8.806 8.833 -0.027 19459 7863 1 12 . 1 1 91 91 THR N N 91 120.813 120.813 111.013 9.800 19459 7864 1 12 . 1 1 91 91 THR HA H 91 3.994 3.994 4.335 -0.341 19459 7865 1 12 . 1 1 91 91 THR C C 91 176.445 176.445 175.222 1.223 19459 7866 1 12 . 1 1 91 91 THR CA C 91 63.440 63.440 60.962 2.478 19459 7867 1 12 . 1 1 91 91 THR CB C 91 69.608 69.608 70.838 -1.230 19459 7868 1 12 . 1 1 91 91 THR H H 91 8.737 8.737 6.972 1.765 19459 7869 1 12 . 1 1 92 92 LYS N N 92 124.963 124.963 126.096 -1.133 19459 7870 1 12 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.235 -0.131 19459 7871 1 12 . 1 1 92 92 LYS C C 92 172.310 172.310 177.567 -5.257 19459 7872 1 12 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.320 0.567 19459 7873 1 12 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.344 -0.205 19459 7874 1 12 . 1 1 92 92 LYS H H 92 8.325 8.325 8.751 -0.426 19459 7875 1 12 . 1 1 93 93 GLY N N 93 113.608 113.608 106.013 7.595 19459 7876 1 12 . 1 1 93 93 GLY C C 93 175.127 175.127 173.472 1.655 19459 7877 1 12 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.847 -0.136 19459 7878 1 12 . 1 1 93 93 GLY H H 93 8.827 8.827 8.303 0.524 19459 7879 1 12 . 1 1 94 94 TYR N N 94 119.900 119.900 120.237 -0.337 19459 7880 1 12 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.774 -0.132 19459 7881 1 12 . 1 1 94 94 TYR C C 94 174.548 174.548 173.789 0.759 19459 7882 1 12 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.466 1.692 19459 7883 1 12 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.652 -0.458 19459 7884 1 12 . 1 1 94 94 TYR H H 94 8.281 8.281 7.588 0.693 19459 7885 1 12 . 1 1 95 95 ARG N N 95 122.431 122.431 119.325 3.106 19459 7886 1 12 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.040 0.488 19459 7887 1 12 . 1 1 95 95 ARG C C 95 175.179 175.179 173.966 1.213 19459 7888 1 12 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.220 0.333 19459 7889 1 12 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.653 -0.452 19459 7890 1 12 . 1 1 95 95 ARG H H 95 9.608 9.608 8.133 1.475 19459 7891 1 12 . 1 1 96 96 LEU N N 96 125.652 125.652 123.937 1.715 19459 7892 1 12 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.727 -0.065 19459 7893 1 12 . 1 1 96 96 LEU C C 96 172.420 172.420 176.379 -3.959 19459 7894 1 12 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.983 2.520 19459 7895 1 12 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.416 -0.610 19459 7896 1 12 . 1 1 96 96 LEU H H 96 8.231 8.231 8.256 -0.025 19459 7897 1 12 . 1 1 97 97 ILE N N 97 131.597 131.597 123.919 7.678 19459 7898 1 12 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.915 0.325 19459 7899 1 12 . 1 1 97 97 ILE C C 97 174.158 174.158 177.007 -2.849 19459 7900 1 12 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.870 -0.701 19459 7901 1 12 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.694 0.109 19459 7902 1 12 . 1 1 97 97 ILE H H 97 9.661 9.661 8.459 1.202 19459 7903 1 12 . 1 1 98 98 GLY N N 98 116.731 116.731 106.898 9.833 19459 7904 1 12 . 1 1 98 98 GLY C C 98 176.923 176.923 173.928 2.995 19459 7905 1 12 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.330 -1.266 19459 7906 1 12 . 1 1 98 98 GLY H H 98 8.465 8.465 7.748 0.717 19459 7907 1 12 . 1 1 99 99 SER N N 99 116.632 116.632 116.691 -0.059 19459 7908 1 12 . 1 1 99 99 SER HA H 99 4.509 4.509 4.609 -0.100 19459 7909 1 12 . 1 1 99 99 SER C C 99 175.013 175.013 174.867 0.146 19459 7910 1 12 . 1 1 99 99 SER CA C 99 58.328 58.328 57.408 0.920 19459 7911 1 12 . 1 1 99 99 SER CB C 99 63.996 63.996 63.274 0.722 19459 7912 1 12 . 1 1 99 99 SER H H 99 8.759 8.759 8.503 0.256 19459 7913 1 12 . 1 1 100 100 SER N N 100 116.696 116.696 122.753 -6.057 19459 7914 1 12 . 1 1 100 100 SER HA H 100 4.447 4.447 4.335 0.112 19459 7915 1 12 . 1 1 100 100 SER C C 100 175.403 175.403 174.452 0.951 19459 7916 1 12 . 1 1 100 100 SER CA C 100 59.209 59.209 61.169 -1.960 19459 7917 1 12 . 1 1 100 100 SER CB C 100 64.035 64.035 63.707 0.328 19459 7918 1 12 . 1 1 100 100 SER H H 100 8.617 8.617 8.524 0.093 19459 7919 1 12 . 1 1 101 101 SER N N 101 115.247 115.247 115.541 -0.294 19459 7920 1 12 . 1 1 101 101 SER HA H 101 5.346 5.346 5.606 -0.260 19459 7921 1 12 . 1 1 101 101 SER C C 101 176.888 176.888 173.912 2.976 19459 7922 1 12 . 1 1 101 101 SER CA C 101 57.021 57.021 55.983 1.038 19459 7923 1 12 . 1 1 101 101 SER CB C 101 66.391 66.391 64.518 1.873 19459 7924 1 12 . 1 1 101 101 SER H H 101 7.952 7.952 7.717 0.235 19459 7925 1 12 . 1 1 102 102 ALA N N 102 121.438 121.438 128.523 -7.085 19459 7926 1 12 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.772 0.315 19459 7927 1 12 . 1 1 102 102 ALA C C 102 173.807 173.807 177.085 -3.278 19459 7928 1 12 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.734 0.089 19459 7929 1 12 . 1 1 102 102 ALA CB C 102 24.071 24.071 20.578 3.493 19459 7930 1 12 . 1 1 102 102 ALA H H 102 8.286 8.286 8.255 0.031 19459 7931 1 12 . 1 1 103 103 THR N N 103 118.007 118.007 118.006 0.001 19459 7932 1 12 . 1 1 103 103 THR HA H 103 5.560 5.560 5.357 0.203 19459 7933 1 12 . 1 1 103 103 THR C C 103 176.159 176.159 173.804 2.355 19459 7934 1 12 . 1 1 103 103 THR CA C 103 61.342 61.342 61.571 -0.229 19459 7935 1 12 . 1 1 103 103 THR CB C 103 71.171 71.171 70.755 0.416 19459 7936 1 12 . 1 1 103 103 THR H H 103 9.636 9.636 9.601 0.035 19459 7937 1 12 . 1 1 104 104 CYS N N 104 127.602 127.602 129.303 -1.701 19459 7938 1 12 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.111 -0.745 19459 7939 1 12 . 1 1 104 104 CYS C C 104 174.892 174.892 173.662 1.230 19459 7940 1 12 . 1 1 104 104 CYS CA C 104 55.479 55.479 56.762 -1.283 19459 7941 1 12 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.322 12.863 19459 7942 1 12 . 1 1 104 104 CYS H H 104 8.338 8.338 8.357 -0.019 19459 7943 1 12 . 1 1 105 105 ILE N N 105 126.775 126.775 124.624 2.151 19459 7944 1 12 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.196 -0.287 19459 7945 1 12 . 1 1 105 105 ILE C C 105 174.390 174.390 173.632 0.758 19459 7946 1 12 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.202 1.019 19459 7947 1 12 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.876 0.646 19459 7948 1 12 . 1 1 105 105 ILE H H 105 9.375 9.375 9.037 0.338 19459 7949 1 12 . 1 1 106 106 ILE N N 106 118.256 118.256 121.283 -3.027 19459 7950 1 12 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.234 -0.164 19459 7951 1 12 . 1 1 106 106 ILE C C 106 172.560 172.560 176.722 -4.162 19459 7952 1 12 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.131 1.758 19459 7953 1 12 . 1 1 106 106 ILE CB C 106 39.685 39.685 35.555 4.130 19459 7954 1 12 . 1 1 106 106 ILE H H 106 8.041 8.041 8.265 -0.224 19459 7955 1 12 . 1 1 107 107 SER N N 107 120.167 120.167 123.139 -2.972 19459 7956 1 12 . 1 1 107 107 SER HA H 107 4.376 4.376 4.251 0.125 19459 7957 1 12 . 1 1 107 107 SER C C 107 174.594 174.594 175.318 -0.724 19459 7958 1 12 . 1 1 107 107 SER CA C 107 57.111 57.111 59.883 -2.772 19459 7959 1 12 . 1 1 107 107 SER CB C 107 63.835 63.835 64.047 -0.212 19459 7960 1 12 . 1 1 107 107 SER H H 107 8.013 8.013 9.009 -0.996 19459 7961 1 12 . 1 1 108 108 GLY N N 108 119.089 119.089 108.682 10.407 19459 7962 1 12 . 1 1 108 108 GLY C C 108 174.665 174.665 174.802 -0.137 19459 7963 1 12 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.389 2.099 19459 7964 1 12 . 1 1 108 108 GLY H H 108 9.116 9.116 7.652 1.464 19459 7965 1 12 . 1 1 109 109 ASP N N 109 127.143 127.143 121.033 6.110 19459 7966 1 12 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.906 -0.145 19459 7967 1 12 . 1 1 109 109 ASP C C 109 173.724 173.724 175.677 -1.953 19459 7968 1 12 . 1 1 109 109 ASP CA C 109 53.723 53.723 53.359 0.364 19459 7969 1 12 . 1 1 109 109 ASP CB C 109 41.232 41.232 43.376 -2.144 19459 7970 1 12 . 1 1 109 109 ASP H H 109 8.845 8.845 8.032 0.813 19459 7971 1 12 . 1 1 110 110 THR N N 110 115.044 115.044 113.742 1.302 19459 7972 1 12 . 1 1 110 110 THR HA H 110 4.663 4.663 4.549 0.114 19459 7973 1 12 . 1 1 110 110 THR C C 110 175.636 175.636 172.302 3.334 19459 7974 1 12 . 1 1 110 110 THR CA C 110 58.612 58.612 61.414 -2.802 19459 7975 1 12 . 1 1 110 110 THR CB C 110 71.146 71.146 71.042 0.104 19459 7976 1 12 . 1 1 110 110 THR H H 110 8.134 8.134 7.518 0.616 19459 7977 1 12 . 1 1 111 111 VAL N N 111 115.728 115.728 119.474 -3.746 19459 7978 1 12 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.963 0.352 19459 7979 1 12 . 1 1 111 111 VAL C C 111 174.752 174.752 174.533 0.219 19459 7980 1 12 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.247 -1.606 19459 7981 1 12 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.483 0.341 19459 7982 1 12 . 1 1 111 111 VAL H H 111 8.310 8.310 8.413 -0.103 19459 7983 1 12 . 1 1 112 112 ILE N N 112 117.116 117.116 118.515 -1.399 19459 7984 1 12 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.772 -0.267 19459 7985 1 12 . 1 1 112 112 ILE C C 112 174.637 174.637 174.459 0.178 19459 7986 1 12 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.091 0.404 19459 7987 1 12 . 1 1 112 112 ILE CB C 112 43.191 43.191 42.293 0.898 19459 7988 1 12 . 1 1 112 112 ILE H H 112 8.945 8.945 8.458 0.487 19459 7989 1 12 . 1 1 113 113 TRP N N 113 121.755 121.755 122.202 -0.447 19459 7990 1 12 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.876 0.231 19459 7991 1 12 . 1 1 113 113 TRP C C 113 170.413 170.413 176.711 -6.298 19459 7992 1 12 . 1 1 113 113 TRP CA C 113 56.377 56.377 57.030 -0.653 19459 7993 1 12 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.971 -0.675 19459 7994 1 12 . 1 1 113 113 TRP H H 113 7.567 7.567 8.609 -1.042 19459 7995 1 12 . 1 1 114 114 ASP N N 114 123.286 123.286 120.609 2.677 19459 7996 1 12 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.571 -0.364 19459 7997 1 12 . 1 1 114 114 ASP C C 114 174.083 174.083 176.637 -2.554 19459 7998 1 12 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.012 1.389 19459 7999 1 12 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.032 -0.883 19459 8000 1 12 . 1 1 114 114 ASP H H 114 9.451 9.451 8.443 1.008 19459 8001 1 12 . 1 1 115 115 GLN N N 115 116.139 116.139 119.987 -3.848 19459 8002 1 12 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.209 0.536 19459 8003 1 12 . 1 1 115 115 GLN C C 115 173.639 173.639 176.773 -3.134 19459 8004 1 12 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.261 -3.078 19459 8005 1 12 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.487 2.836 19459 8006 1 12 . 1 1 115 115 GLN H H 115 7.305 7.305 7.786 -0.481 19459 8007 1 12 . 1 1 116 116 GLU N N 116 120.881 120.881 123.288 -2.407 19459 8008 1 12 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.190 0.140 19459 8009 1 12 . 1 1 116 116 GLU C C 116 173.578 173.578 176.584 -3.006 19459 8010 1 12 . 1 1 116 116 GLU CA C 116 55.157 55.157 57.994 -2.837 19459 8011 1 12 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.015 0.201 19459 8012 1 12 . 1 1 116 116 GLU H H 116 8.615 8.615 8.581 0.034 19459 8013 1 12 . 1 1 117 117 THR N N 117 119.889 119.889 111.073 8.816 19459 8014 1 12 . 1 1 117 117 THR HA H 117 3.609 3.609 4.321 -0.712 19459 8015 1 12 . 1 1 117 117 THR C C 117 176.699 176.699 171.598 5.101 19459 8016 1 12 . 1 1 117 117 THR CA C 117 61.757 61.757 59.376 2.381 19459 8017 1 12 . 1 1 117 117 THR CB C 117 69.799 69.799 69.416 0.383 19459 8018 1 12 . 1 1 117 117 THR H H 117 8.075 8.075 7.496 0.579 19459 8019 1 12 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.322 0.210 19459 8020 1 12 . 1 1 118 118 PRO C C 118 175.300 175.300 175.800 -0.500 19459 8021 1 12 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.479 -0.119 19459 8022 1 12 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.949 0.939 19459 8023 1 12 . 1 1 119 119 ILE N N 119 114.729 114.729 121.155 -6.426 19459 8024 1 12 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.294 -0.007 19459 8025 1 12 . 1 1 119 119 ILE C C 119 174.748 174.748 174.891 -0.143 19459 8026 1 12 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.385 -1.143 19459 8027 1 12 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.998 -0.814 19459 8028 1 12 . 1 1 119 119 ILE H H 119 7.874 7.874 7.923 -0.049 19459 8029 1 12 . 1 1 120 120 CYS N N 120 123.444 123.444 126.781 -3.337 19459 8030 1 12 . 1 1 120 120 CYS HA H 120 5.550 5.550 5.023 0.527 19459 8031 1 12 . 1 1 120 120 CYS C C 120 175.583 175.583 174.841 0.742 19459 8032 1 12 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.095 -4.401 19459 8033 1 12 . 1 1 120 120 CYS CB C 120 41.450 41.450 26.152 15.297 19459 8034 1 12 . 1 1 120 120 CYS H H 120 8.583 8.583 9.012 -0.429 19459 8035 1 12 . 1 1 121 121 ASP N N 121 124.459 124.459 125.765 -1.306 19459 8036 1 12 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.479 0.828 19459 8037 1 12 . 1 1 121 121 ASP C C 121 174.495 174.495 176.455 -1.960 19459 8038 1 12 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.602 -3.385 19459 8039 1 12 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.917 2.486 19459 8040 1 12 . 1 1 121 121 ASP H H 121 9.309 9.309 8.737 0.572 19459 8041 1 13 . 1 1 2 2 CYS N N 2 117.967 117.967 118.257 -0.290 19459 8042 1 13 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.823 -0.296 19459 8043 1 13 . 1 1 2 2 CYS C C 2 174.023 174.023 175.398 -1.375 19459 8044 1 13 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.420 -0.448 19459 8045 1 13 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.727 17.332 19459 8046 1 13 . 1 1 2 2 CYS H H 2 9.327 9.327 8.172 1.155 19459 8047 1 13 . 1 1 3 3 ASN N N 3 119.722 119.722 115.131 4.591 19459 8048 1 13 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.528 0.721 19459 8049 1 13 . 1 1 3 3 ASN C C 3 175.027 175.027 174.349 0.678 19459 8050 1 13 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.698 -1.185 19459 8051 1 13 . 1 1 3 3 ASN CB C 3 39.643 39.643 36.476 3.167 19459 8052 1 13 . 1 1 3 3 ASN H H 3 8.686 8.686 8.347 0.339 19459 8053 1 13 . 1 1 4 4 ALA N N 4 122.403 122.403 119.321 3.082 19459 8054 1 13 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.703 -0.274 19459 8055 1 13 . 1 1 4 4 ALA C C 4 173.517 173.517 176.356 -2.839 19459 8056 1 13 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.518 -0.705 19459 8057 1 13 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.599 -1.612 19459 8058 1 13 . 1 1 4 4 ALA H H 4 8.401 8.401 7.958 0.443 19459 8059 1 13 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.194 -0.286 19459 8060 1 13 . 1 1 5 5 PRO C C 5 172.806 172.806 176.855 -4.049 19459 8061 1 13 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.016 -1.565 19459 8062 1 13 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.016 -0.464 19459 8063 1 13 . 1 1 6 6 GLU N N 6 121.296 121.296 112.610 8.686 19459 8064 1 13 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.391 -0.200 19459 8065 1 13 . 1 1 6 6 GLU C C 6 172.835 172.835 173.932 -1.097 19459 8066 1 13 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.955 0.220 19459 8067 1 13 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.554 0.410 19459 8068 1 13 . 1 1 6 6 GLU H H 6 8.443 8.443 8.028 0.415 19459 8069 1 13 . 1 1 7 7 TRP N N 7 124.746 124.746 122.395 2.351 19459 8070 1 13 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.971 -1.039 19459 8071 1 13 . 1 1 7 7 TRP C C 7 174.236 174.236 174.653 -0.417 19459 8072 1 13 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.471 3.441 19459 8073 1 13 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.113 -1.080 19459 8074 1 13 . 1 1 7 7 TRP H H 7 8.674 8.674 8.376 0.298 19459 8075 1 13 . 1 1 8 8 LEU N N 8 125.782 125.782 130.655 -4.873 19459 8076 1 13 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.292 0.264 19459 8077 1 13 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.786 0.179 19459 8078 1 13 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.176 -0.283 19459 8079 1 13 . 1 1 8 8 LEU H H 8 7.922 7.922 8.013 -0.091 19459 8080 1 13 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.303 0.295 19459 8081 1 13 . 1 1 9 9 PRO C C 9 172.961 172.961 176.834 -3.873 19459 8082 1 13 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.007 -0.467 19459 8083 1 13 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.392 0.045 19459 8084 1 13 . 1 1 10 10 PHE N N 10 106.863 106.863 112.661 -5.798 19459 8085 1 13 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.576 -0.967 19459 8086 1 13 . 1 1 10 10 PHE C C 10 175.535 175.535 173.474 2.061 19459 8087 1 13 . 1 1 10 10 PHE CA C 10 53.857 53.857 55.239 -1.382 19459 8088 1 13 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.094 3.681 19459 8089 1 13 . 1 1 10 10 PHE H H 10 5.588 5.588 6.769 -1.181 19459 8090 1 13 . 1 1 11 11 ALA N N 11 121.214 121.214 121.462 -0.248 19459 8091 1 13 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.414 -0.271 19459 8092 1 13 . 1 1 11 11 ALA C C 11 175.918 175.918 175.881 0.037 19459 8093 1 13 . 1 1 11 11 ALA CA C 11 51.868 51.868 51.009 0.859 19459 8094 1 13 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.399 2.331 19459 8095 1 13 . 1 1 11 11 ALA H H 11 6.349 6.349 7.002 -0.653 19459 8096 1 13 . 1 1 12 12 ARG N N 12 117.160 117.160 119.705 -2.545 19459 8097 1 13 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.750 -0.053 19459 8098 1 13 . 1 1 12 12 ARG C C 12 178.499 178.499 173.453 5.046 19459 8099 1 13 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.732 1.133 19459 8100 1 13 . 1 1 12 12 ARG H H 12 9.219 9.219 7.911 1.308 19459 8101 1 13 . 1 1 13 13 PRO HA H 13 3.669 3.669 5.083 -1.414 19459 8102 1 13 . 1 1 13 13 PRO C C 13 171.555 171.555 177.517 -5.962 19459 8103 1 13 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.175 -0.794 19459 8104 1 13 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.452 -0.904 19459 8105 1 13 . 1 1 14 14 THR N N 14 112.823 112.823 109.938 2.885 19459 8106 1 13 . 1 1 14 14 THR HA H 14 3.905 3.905 4.347 -0.442 19459 8107 1 13 . 1 1 14 14 THR C C 14 174.364 174.364 175.295 -0.931 19459 8108 1 13 . 1 1 14 14 THR CA C 14 63.180 63.180 63.444 -0.264 19459 8109 1 13 . 1 1 14 14 THR CB C 14 68.154 68.154 69.251 -1.097 19459 8110 1 13 . 1 1 14 14 THR H H 14 8.062 8.062 8.353 -0.291 19459 8111 1 13 . 1 1 15 15 GLN N N 15 119.736 119.736 117.853 1.883 19459 8112 1 13 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.356 0.145 19459 8113 1 13 . 1 1 15 15 GLN C C 15 174.815 174.815 176.214 -1.399 19459 8114 1 13 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.257 -2.890 19459 8115 1 13 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.194 1.922 19459 8116 1 13 . 1 1 15 15 GLN H H 15 7.758 7.758 7.960 -0.202 19459 8117 1 13 . 1 1 16 16 LEU N N 16 124.583 124.583 120.680 3.903 19459 8118 1 13 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.240 0.121 19459 8119 1 13 . 1 1 16 16 LEU C C 16 172.167 172.167 177.215 -5.048 19459 8120 1 13 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.128 -1.831 19459 8121 1 13 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.724 0.310 19459 8122 1 13 . 1 1 16 16 LEU H H 16 8.458 8.458 7.935 0.523 19459 8123 1 13 . 1 1 17 17 THR N N 17 116.730 116.730 109.808 6.922 19459 8124 1 13 . 1 1 17 17 THR HA H 17 4.633 4.633 3.603 1.030 19459 8125 1 13 . 1 1 17 17 THR C C 17 175.703 175.703 175.994 -0.291 19459 8126 1 13 . 1 1 17 17 THR CA C 17 60.358 60.358 64.825 -4.466 19459 8127 1 13 . 1 1 17 17 THR CB C 17 70.110 70.110 68.748 1.362 19459 8128 1 13 . 1 1 17 17 THR H H 17 8.325 8.325 7.852 0.473 19459 8129 1 13 . 1 1 18 18 ASP N N 18 122.839 122.839 119.356 3.483 19459 8130 1 13 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.701 0.041 19459 8131 1 13 . 1 1 18 18 ASP C C 18 173.642 173.642 175.934 -2.292 19459 8132 1 13 . 1 1 18 18 ASP CA C 18 53.213 53.213 55.028 -1.815 19459 8133 1 13 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.572 -2.650 19459 8134 1 13 . 1 1 18 18 ASP H H 18 8.487 8.487 7.564 0.923 19459 8135 1 13 . 1 1 19 19 GLU N N 19 120.523 120.523 118.309 2.214 19459 8136 1 13 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.492 -0.419 19459 8137 1 13 . 1 1 19 19 GLU C C 19 174.249 174.249 176.439 -2.190 19459 8138 1 13 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.847 1.303 19459 8139 1 13 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.242 0.101 19459 8140 1 13 . 1 1 19 19 GLU H H 19 7.931 7.931 7.611 0.320 19459 8141 1 13 . 1 1 20 20 PHE N N 20 118.500 118.500 121.806 -3.306 19459 8142 1 13 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.276 0.470 19459 8143 1 13 . 1 1 20 20 PHE C C 20 174.885 174.885 176.281 -1.396 19459 8144 1 13 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.114 -4.600 19459 8145 1 13 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.467 1.016 19459 8146 1 13 . 1 1 20 20 PHE H H 20 8.279 8.279 8.529 -0.250 19459 8147 1 13 . 1 1 21 21 GLU N N 21 117.080 117.080 117.032 0.048 19459 8148 1 13 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.549 0.461 19459 8149 1 13 . 1 1 21 21 GLU C C 21 174.900 174.900 175.130 -0.230 19459 8150 1 13 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.624 -1.351 19459 8151 1 13 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.297 0.076 19459 8152 1 13 . 1 1 21 21 GLU H H 21 7.022 7.022 7.936 -0.914 19459 8153 1 13 . 1 1 22 22 PHE N N 22 119.655 119.655 122.436 -2.781 19459 8154 1 13 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.903 0.066 19459 8155 1 13 . 1 1 22 22 PHE C C 22 176.708 176.708 173.300 3.408 19459 8156 1 13 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.157 -0.381 19459 8157 1 13 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.181 -0.436 19459 8158 1 13 . 1 1 22 22 PHE H H 22 8.974 8.974 8.337 0.637 19459 8159 1 13 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.501 0.087 19459 8160 1 13 . 1 1 23 23 PRO C C 23 171.163 171.163 176.134 -4.971 19459 8161 1 13 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.643 -0.226 19459 8162 1 13 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.444 0.211 19459 8163 1 13 . 1 1 24 24 ILE N N 24 123.238 123.238 119.583 3.655 19459 8164 1 13 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.856 -0.446 19459 8165 1 13 . 1 1 24 24 ILE C C 24 172.283 172.283 177.315 -5.032 19459 8166 1 13 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.979 1.067 19459 8167 1 13 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.615 -0.166 19459 8168 1 13 . 1 1 24 24 ILE H H 24 8.199 8.199 8.352 -0.153 19459 8169 1 13 . 1 1 25 25 GLY N N 25 115.962 115.962 114.303 1.659 19459 8170 1 13 . 1 1 25 25 GLY C C 25 174.927 174.927 174.153 0.774 19459 8171 1 13 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.829 -0.406 19459 8172 1 13 . 1 1 25 25 GLY H H 25 9.061 9.061 8.583 0.478 19459 8173 1 13 . 1 1 26 26 THR N N 26 117.152 117.152 117.275 -0.123 19459 8174 1 13 . 1 1 26 26 THR HA H 26 4.081 4.081 4.698 -0.617 19459 8175 1 13 . 1 1 26 26 THR C C 26 176.723 176.723 173.253 3.470 19459 8176 1 13 . 1 1 26 26 THR CA C 26 65.711 65.711 61.627 4.083 19459 8177 1 13 . 1 1 26 26 THR CB C 26 70.084 70.084 70.564 -0.480 19459 8178 1 13 . 1 1 26 26 THR H H 26 7.704 7.704 7.418 0.286 19459 8179 1 13 . 1 1 27 27 TYR N N 27 125.094 125.094 125.637 -0.543 19459 8180 1 13 . 1 1 27 27 TYR HA H 27 5.792 5.792 5.262 0.530 19459 8181 1 13 . 1 1 27 27 TYR C C 27 173.835 173.835 175.811 -1.976 19459 8182 1 13 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.631 -1.768 19459 8183 1 13 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.910 0.966 19459 8184 1 13 . 1 1 27 27 TYR H H 27 8.542 8.542 8.679 -0.137 19459 8185 1 13 . 1 1 28 28 LEU N N 28 120.714 120.714 123.615 -2.901 19459 8186 1 13 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.597 0.187 19459 8187 1 13 . 1 1 28 28 LEU C C 28 172.808 172.808 175.679 -2.871 19459 8188 1 13 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.425 -0.242 19459 8189 1 13 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.221 0.717 19459 8190 1 13 . 1 1 28 28 LEU H H 28 9.000 9.000 8.570 0.430 19459 8191 1 13 . 1 1 29 29 ASN N N 29 121.617 121.617 119.895 1.722 19459 8192 1 13 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.806 0.094 19459 8193 1 13 . 1 1 29 29 ASN C C 29 174.783 174.783 173.976 0.807 19459 8194 1 13 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.057 2.175 19459 8195 1 13 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.138 1.053 19459 8196 1 13 . 1 1 29 29 ASN H H 29 8.544 8.544 8.671 -0.127 19459 8197 1 13 . 1 1 30 30 TYR N N 30 126.738 126.738 122.874 3.864 19459 8198 1 13 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.638 0.048 19459 8199 1 13 . 1 1 30 30 TYR C C 30 174.911 174.911 174.817 0.094 19459 8200 1 13 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.476 -0.575 19459 8201 1 13 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.474 4.369 19459 8202 1 13 . 1 1 30 30 TYR H H 30 9.324 9.324 7.896 1.428 19459 8203 1 13 . 1 1 31 31 GLU N N 31 114.116 114.116 122.200 -8.084 19459 8204 1 13 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.616 0.094 19459 8205 1 13 . 1 1 31 31 GLU C C 31 173.694 173.694 174.512 -0.818 19459 8206 1 13 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.299 -1.180 19459 8207 1 13 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.325 -0.699 19459 8208 1 13 . 1 1 31 31 GLU H H 31 8.553 8.553 8.427 0.126 19459 8209 1 13 . 1 1 32 32 CYS N N 32 121.086 121.086 121.473 -0.387 19459 8210 1 13 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.381 -0.330 19459 8211 1 13 . 1 1 32 32 CYS C C 32 173.553 173.553 176.030 -2.477 19459 8212 1 13 . 1 1 32 32 CYS CA C 32 54.480 54.480 57.822 -3.342 19459 8213 1 13 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.184 9.303 19459 8214 1 13 . 1 1 32 32 CYS H H 32 9.784 9.784 8.829 0.955 19459 8215 1 13 . 1 1 33 33 ARG N N 33 123.418 123.418 123.797 -0.379 19459 8216 1 13 . 1 1 33 33 ARG C C 33 176.822 176.822 174.584 2.238 19459 8217 1 13 . 1 1 33 33 ARG CA C 33 56.311 56.311 53.868 2.443 19459 8218 1 13 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.030 0.313 19459 8219 1 13 . 1 1 33 33 ARG H H 33 7.898 7.898 8.253 -0.355 19459 8220 1 13 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.449 -0.069 19459 8221 1 13 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.375 0.680 19459 8222 1 13 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.783 -0.448 19459 8223 1 13 . 1 1 35 35 GLY N N 35 111.039 111.039 108.573 2.466 19459 8224 1 13 . 1 1 35 35 GLY C C 35 177.546 177.546 173.307 4.239 19459 8225 1 13 . 1 1 35 35 GLY CA C 35 43.899 43.899 45.105 -1.206 19459 8226 1 13 . 1 1 35 35 GLY H H 35 8.378 8.378 8.612 -0.234 19459 8227 1 13 . 1 1 36 36 TYR N N 36 116.682 116.682 118.103 -1.421 19459 8228 1 13 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.410 -0.389 19459 8229 1 13 . 1 1 36 36 TYR C C 36 174.005 174.005 175.726 -1.721 19459 8230 1 13 . 1 1 36 36 TYR CA C 36 56.495 56.495 55.614 0.881 19459 8231 1 13 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.677 1.304 19459 8232 1 13 . 1 1 36 36 TYR H H 36 8.175 8.175 7.416 0.759 19459 8233 1 13 . 1 1 37 37 SER N N 37 115.855 115.855 119.492 -3.637 19459 8234 1 13 . 1 1 37 37 SER HA H 37 4.819 4.819 4.245 0.574 19459 8235 1 13 . 1 1 37 37 SER C C 37 175.442 175.442 175.824 -0.382 19459 8236 1 13 . 1 1 37 37 SER CA C 37 56.534 56.534 60.633 -4.099 19459 8237 1 13 . 1 1 37 37 SER CB C 37 65.642 65.642 63.317 2.325 19459 8238 1 13 . 1 1 37 37 SER H H 37 9.711 9.711 8.290 1.421 19459 8239 1 13 . 1 1 38 38 GLY N N 38 113.435 113.435 109.136 4.299 19459 8240 1 13 . 1 1 38 38 GLY C C 38 175.876 175.876 173.795 2.081 19459 8241 1 13 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.658 0.610 19459 8242 1 13 . 1 1 38 38 GLY H H 38 8.288 8.288 7.911 0.377 19459 8243 1 13 . 1 1 39 39 ARG N N 39 124.199 124.199 121.103 3.096 19459 8244 1 13 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.578 0.161 19459 8245 1 13 . 1 1 39 39 ARG C C 39 175.413 175.413 174.401 1.012 19459 8246 1 13 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.241 2.499 19459 8247 1 13 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.587 -0.953 19459 8248 1 13 . 1 1 39 39 ARG H H 39 8.350 8.350 8.317 0.033 19459 8249 1 13 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.390 0.268 19459 8250 1 13 . 1 1 40 40 PRO C C 40 173.702 173.702 175.073 -1.371 19459 8251 1 13 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.757 1.713 19459 8252 1 13 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.178 0.010 19459 8253 1 13 . 1 1 41 41 PHE N N 41 118.388 118.388 119.481 -1.093 19459 8254 1 13 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.778 0.385 19459 8255 1 13 . 1 1 41 41 PHE C C 41 176.886 176.886 175.025 1.861 19459 8256 1 13 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.955 -0.389 19459 8257 1 13 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.163 -0.900 19459 8258 1 13 . 1 1 41 41 PHE H H 41 8.017 8.017 7.905 0.112 19459 8259 1 13 . 1 1 42 42 SER N N 42 114.056 114.056 115.950 -1.894 19459 8260 1 13 . 1 1 42 42 SER HA H 42 5.771 5.771 5.013 0.758 19459 8261 1 13 . 1 1 42 42 SER C C 42 174.978 174.978 174.145 0.833 19459 8262 1 13 . 1 1 42 42 SER CA C 42 56.668 56.668 58.421 -1.753 19459 8263 1 13 . 1 1 42 42 SER CB C 42 66.152 66.152 64.178 1.974 19459 8264 1 13 . 1 1 42 42 SER H H 42 8.540 8.540 8.399 0.141 19459 8265 1 13 . 1 1 43 43 ILE N N 43 115.669 115.669 116.472 -0.803 19459 8266 1 13 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.573 0.492 19459 8267 1 13 . 1 1 43 43 ILE C C 43 174.535 174.535 174.477 0.058 19459 8268 1 13 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.033 0.011 19459 8269 1 13 . 1 1 43 43 ILE CB C 43 40.355 40.355 40.364 -0.009 19459 8270 1 13 . 1 1 43 43 ILE H H 43 8.637 8.637 7.661 0.976 19459 8271 1 13 . 1 1 44 44 ILE N N 44 120.215 120.215 121.439 -1.224 19459 8272 1 13 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.106 0.180 19459 8273 1 13 . 1 1 44 44 ILE C C 44 174.033 174.033 177.159 -3.126 19459 8274 1 13 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.267 0.389 19459 8275 1 13 . 1 1 44 44 ILE CB C 44 42.330 42.330 41.515 0.815 19459 8276 1 13 . 1 1 44 44 ILE H H 44 8.687 8.687 8.223 0.464 19459 8277 1 13 . 1 1 45 45 CYS N N 45 126.257 126.257 126.135 0.122 19459 8278 1 13 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.253 -0.501 19459 8279 1 13 . 1 1 45 45 CYS C C 45 174.946 174.946 176.402 -1.456 19459 8280 1 13 . 1 1 45 45 CYS CA C 45 55.066 55.066 58.631 -3.565 19459 8281 1 13 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.672 14.939 19459 8282 1 13 . 1 1 45 45 CYS H H 45 7.993 7.993 8.938 -0.945 19459 8283 1 13 . 1 1 46 46 LEU N N 46 132.514 132.514 122.188 10.326 19459 8284 1 13 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.987 0.429 19459 8285 1 13 . 1 1 46 46 LEU C C 46 172.195 172.195 177.122 -4.927 19459 8286 1 13 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.226 -2.882 19459 8287 1 13 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.946 2.258 19459 8288 1 13 . 1 1 46 46 LEU H H 46 8.826 8.826 8.401 0.425 19459 8289 1 13 . 1 1 47 47 LYS N N 47 115.254 115.254 118.911 -3.657 19459 8290 1 13 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.332 -0.344 19459 8291 1 13 . 1 1 47 47 LYS C C 47 173.781 173.781 176.070 -2.289 19459 8292 1 13 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.745 2.238 19459 8293 1 13 . 1 1 47 47 LYS CB C 47 31.208 31.208 33.069 -1.861 19459 8294 1 13 . 1 1 47 47 LYS H H 47 7.949 7.949 7.402 0.547 19459 8295 1 13 . 1 1 48 48 ASN N N 48 115.283 115.283 125.224 -9.941 19459 8296 1 13 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.366 0.170 19459 8297 1 13 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.702 -0.162 19459 8298 1 13 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.186 -0.814 19459 8299 1 13 . 1 1 48 48 ASN H H 48 8.432 8.432 9.360 -0.928 19459 8300 1 13 . 1 1 49 49 SER N N 49 110.595 110.595 107.278 3.317 19459 8301 1 13 . 1 1 49 49 SER HA H 49 3.969 3.969 4.069 -0.100 19459 8302 1 13 . 1 1 49 49 SER CA C 49 59.790 59.790 59.404 0.386 19459 8303 1 13 . 1 1 49 49 SER CB C 49 60.870 60.870 62.266 -1.396 19459 8304 1 13 . 1 1 49 49 SER H H 49 8.457 8.457 8.494 -0.037 19459 8305 1 13 . 1 1 50 50 VAL N N 50 117.680 117.680 118.499 -0.819 19459 8306 1 13 . 1 1 50 50 VAL HA H 50 4.333 4.333 4.081 0.252 19459 8307 1 13 . 1 1 50 50 VAL C C 50 175.347 175.347 176.172 -0.825 19459 8308 1 13 . 1 1 50 50 VAL CA C 50 59.884 59.884 64.286 -4.402 19459 8309 1 13 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.197 1.640 19459 8310 1 13 . 1 1 50 50 VAL H H 50 6.840 6.840 7.895 -1.055 19459 8311 1 13 . 1 1 51 51 TRP N N 51 123.510 123.510 115.473 8.037 19459 8312 1 13 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.101 0.221 19459 8313 1 13 . 1 1 51 51 TRP C C 51 170.736 170.736 177.643 -6.907 19459 8314 1 13 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.719 -0.782 19459 8315 1 13 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.803 -2.012 19459 8316 1 13 . 1 1 51 51 TRP H H 51 8.310 8.310 7.511 0.799 19459 8317 1 13 . 1 1 52 52 THR N N 52 115.962 115.962 114.433 1.529 19459 8318 1 13 . 1 1 52 52 THR HA H 52 4.656 4.656 4.140 0.516 19459 8319 1 13 . 1 1 52 52 THR C C 52 175.780 175.780 175.415 0.365 19459 8320 1 13 . 1 1 52 52 THR CA C 52 61.376 61.376 64.472 -3.096 19459 8321 1 13 . 1 1 52 52 THR CB C 52 70.723 70.723 69.045 1.678 19459 8322 1 13 . 1 1 52 52 THR H H 52 9.026 9.026 8.912 0.114 19459 8323 1 13 . 1 1 53 53 GLY N N 53 108.521 108.521 107.856 0.665 19459 8324 1 13 . 1 1 53 53 GLY C C 53 174.881 174.881 173.791 1.090 19459 8325 1 13 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.776 0.568 19459 8326 1 13 . 1 1 53 53 GLY H H 53 8.292 8.292 8.049 0.243 19459 8327 1 13 . 1 1 54 54 ALA N N 54 121.857 121.857 123.201 -1.344 19459 8328 1 13 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.798 0.355 19459 8329 1 13 . 1 1 54 54 ALA C C 54 172.786 172.786 176.194 -3.408 19459 8330 1 13 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.854 -1.157 19459 8331 1 13 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.449 2.265 19459 8332 1 13 . 1 1 54 54 ALA H H 54 8.443 8.443 7.785 0.658 19459 8333 1 13 . 1 1 55 55 LYS N N 55 118.318 118.318 119.773 -1.455 19459 8334 1 13 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.307 -0.563 19459 8335 1 13 . 1 1 55 55 LYS C C 55 172.519 172.519 176.822 -4.303 19459 8336 1 13 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.594 2.350 19459 8337 1 13 . 1 1 55 55 LYS CB C 55 32.632 32.632 33.429 -0.797 19459 8338 1 13 . 1 1 55 55 LYS H H 55 7.612 7.612 7.716 -0.104 19459 8339 1 13 . 1 1 56 56 ASP N N 56 119.214 119.214 119.412 -0.198 19459 8340 1 13 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.307 -0.190 19459 8341 1 13 . 1 1 56 56 ASP C C 56 173.700 173.700 176.458 -2.758 19459 8342 1 13 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.348 0.036 19459 8343 1 13 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.505 -0.335 19459 8344 1 13 . 1 1 56 56 ASP H H 56 8.555 8.555 8.846 -0.291 19459 8345 1 13 . 1 1 57 57 ARG N N 57 116.006 116.006 118.068 -2.062 19459 8346 1 13 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.218 -0.338 19459 8347 1 13 . 1 1 57 57 ARG C C 57 171.638 171.638 175.744 -4.106 19459 8348 1 13 . 1 1 57 57 ARG CA C 57 55.927 55.927 58.078 -2.151 19459 8349 1 13 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.729 1.428 19459 8350 1 13 . 1 1 57 57 ARG H H 57 7.352 7.352 8.703 -1.351 19459 8351 1 13 . 1 1 58 58 CYS N N 58 115.000 115.000 114.245 0.755 19459 8352 1 13 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.630 0.944 19459 8353 1 13 . 1 1 58 58 CYS C C 58 175.576 175.576 173.125 2.451 19459 8354 1 13 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.586 -4.734 19459 8355 1 13 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.698 13.878 19459 8356 1 13 . 1 1 58 58 CYS H H 58 7.587 7.587 7.886 -0.299 19459 8357 1 13 . 1 1 59 59 ARG N N 59 123.440 123.440 120.791 2.649 19459 8358 1 13 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.644 0.116 19459 8359 1 13 . 1 1 59 59 ARG C C 59 173.566 173.566 174.612 -1.046 19459 8360 1 13 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.832 -0.593 19459 8361 1 13 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.940 -1.138 19459 8362 1 13 . 1 1 59 59 ARG H H 59 8.984 8.984 8.861 0.123 19459 8363 1 13 . 1 1 60 60 ARG N N 60 125.644 125.644 122.001 3.643 19459 8364 1 13 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.358 -0.707 19459 8365 1 13 . 1 1 60 60 ARG C C 60 172.119 172.119 175.554 -3.435 19459 8366 1 13 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.832 3.466 19459 8367 1 13 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.878 -0.611 19459 8368 1 13 . 1 1 60 60 ARG H H 60 9.163 9.163 8.468 0.695 19459 8369 1 13 . 1 1 61 61 LYS N N 61 124.217 124.217 123.830 0.387 19459 8370 1 13 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.411 -0.294 19459 8371 1 13 . 1 1 61 61 LYS C C 61 173.791 173.791 176.112 -2.321 19459 8372 1 13 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.879 2.319 19459 8373 1 13 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.997 1.217 19459 8374 1 13 . 1 1 61 61 LYS H H 61 8.601 8.601 8.371 0.230 19459 8375 1 13 . 1 1 62 62 SER N N 62 114.120 114.120 116.515 -2.395 19459 8376 1 13 . 1 1 62 62 SER HA H 62 4.765 4.765 4.576 0.189 19459 8377 1 13 . 1 1 62 62 SER C C 62 175.019 175.019 174.574 0.445 19459 8378 1 13 . 1 1 62 62 SER CA C 62 58.227 58.227 58.185 0.042 19459 8379 1 13 . 1 1 62 62 SER CB C 62 65.387 65.387 63.977 1.410 19459 8380 1 13 . 1 1 62 62 SER H H 62 8.494 8.494 8.328 0.166 19459 8381 1 13 . 1 1 63 63 CYS N N 63 122.858 122.858 120.704 2.154 19459 8382 1 13 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.415 -0.347 19459 8383 1 13 . 1 1 63 63 CYS C C 63 176.076 176.076 174.926 1.150 19459 8384 1 13 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.931 2.336 19459 8385 1 13 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.686 12.082 19459 8386 1 13 . 1 1 63 63 CYS H H 63 8.359 8.359 8.429 -0.070 19459 8387 1 13 . 1 1 64 64 ARG N N 64 118.145 118.145 120.564 -2.419 19459 8388 1 13 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.712 -0.546 19459 8389 1 13 . 1 1 64 64 ARG C C 64 173.077 173.077 174.721 -1.644 19459 8390 1 13 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.558 0.422 19459 8391 1 13 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.239 -1.780 19459 8392 1 13 . 1 1 64 64 ARG H H 64 8.496 8.496 8.656 -0.160 19459 8393 1 13 . 1 1 65 65 ASN N N 65 122.302 122.302 119.668 2.634 19459 8394 1 13 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.323 -0.589 19459 8395 1 13 . 1 1 65 65 ASN C C 65 175.117 175.117 174.618 0.499 19459 8396 1 13 . 1 1 65 65 ASN CA C 65 52.112 52.112 52.722 -0.611 19459 8397 1 13 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.110 -0.743 19459 8398 1 13 . 1 1 65 65 ASN H H 65 8.691 8.691 9.082 -0.391 19459 8399 1 13 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.327 0.156 19459 8400 1 13 . 1 1 67 67 PRO C C 67 172.228 172.228 177.119 -4.891 19459 8401 1 13 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.290 -1.624 19459 8402 1 13 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.906 0.581 19459 8403 1 13 . 1 1 68 68 ASP N N 68 118.184 118.184 118.882 -0.698 19459 8404 1 13 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.383 0.259 19459 8405 1 13 . 1 1 68 68 ASP C C 68 173.951 173.951 174.240 -0.289 19459 8406 1 13 . 1 1 68 68 ASP CA C 68 53.179 53.179 55.522 -2.343 19459 8407 1 13 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.064 0.435 19459 8408 1 13 . 1 1 68 68 ASP H H 68 8.201 8.201 8.272 -0.071 19459 8409 1 13 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.502 -0.266 19459 8410 1 13 . 1 1 69 69 PRO C C 69 172.350 172.350 178.179 -5.829 19459 8411 1 13 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.535 -0.624 19459 8412 1 13 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.523 -1.288 19459 8413 1 13 . 1 1 70 70 VAL N N 70 125.745 125.745 123.123 2.622 19459 8414 1 13 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.788 -0.129 19459 8415 1 13 . 1 1 70 70 VAL C C 70 171.231 171.231 175.928 -4.697 19459 8416 1 13 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.875 -0.211 19459 8417 1 13 . 1 1 70 70 VAL CB C 70 30.851 30.851 32.072 -1.221 19459 8418 1 13 . 1 1 70 70 VAL H H 70 8.251 8.251 8.572 -0.321 19459 8419 1 13 . 1 1 71 71 ASN N N 71 119.702 119.702 116.740 2.962 19459 8420 1 13 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.687 -0.686 19459 8421 1 13 . 1 1 71 71 ASN C C 71 176.167 176.167 175.820 0.347 19459 8422 1 13 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.696 2.824 19459 8423 1 13 . 1 1 71 71 ASN CB C 71 36.242 36.242 37.773 -1.531 19459 8424 1 13 . 1 1 71 71 ASN H H 71 8.994 8.994 8.146 0.848 19459 8425 1 13 . 1 1 72 72 GLY N N 72 104.254 104.254 108.134 -3.880 19459 8426 1 13 . 1 1 72 72 GLY C C 72 177.732 177.732 174.214 3.518 19459 8427 1 13 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.506 1.592 19459 8428 1 13 . 1 1 72 72 GLY H H 72 7.637 7.637 7.895 -0.258 19459 8429 1 13 . 1 1 73 73 MET N N 73 116.529 116.529 120.871 -4.342 19459 8430 1 13 . 1 1 73 73 MET HA H 73 4.887 4.887 4.586 0.301 19459 8431 1 13 . 1 1 73 73 MET C C 73 175.128 175.128 174.088 1.040 19459 8432 1 13 . 1 1 73 73 MET CA C 73 54.890 54.890 55.394 -0.504 19459 8433 1 13 . 1 1 73 73 MET CB C 73 36.837 36.837 32.166 4.671 19459 8434 1 13 . 1 1 73 73 MET H H 73 8.819 8.819 8.478 0.341 19459 8435 1 13 . 1 1 74 74 VAL N N 74 122.511 122.511 121.720 0.791 19459 8436 1 13 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.992 -0.389 19459 8437 1 13 . 1 1 74 74 VAL C C 74 176.573 176.573 174.556 2.017 19459 8438 1 13 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.391 -0.382 19459 8439 1 13 . 1 1 74 74 VAL CB C 74 34.502 34.502 35.503 -1.001 19459 8440 1 13 . 1 1 74 74 VAL H H 74 8.796 8.796 7.620 1.176 19459 8441 1 13 . 1 1 75 75 HIS N N 75 125.200 125.200 126.142 -0.942 19459 8442 1 13 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.827 -0.113 19459 8443 1 13 . 1 1 75 75 HIS C C 75 175.500 175.500 173.296 2.204 19459 8444 1 13 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.037 -0.352 19459 8445 1 13 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.320 -4.312 19459 8446 1 13 . 1 1 75 75 HIS H H 75 8.977 8.977 8.680 0.297 19459 8447 1 13 . 1 1 76 76 VAL N N 76 127.456 127.456 122.227 5.229 19459 8448 1 13 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.199 -0.027 19459 8449 1 13 . 1 1 76 76 VAL C C 76 173.257 173.257 174.588 -1.331 19459 8450 1 13 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.779 1.419 19459 8451 1 13 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.080 -1.740 19459 8452 1 13 . 1 1 76 76 VAL H H 76 8.926 8.926 8.464 0.462 19459 8453 1 13 . 1 1 77 77 ILE N N 77 126.756 126.756 128.278 -1.522 19459 8454 1 13 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.065 0.086 19459 8455 1 13 . 1 1 77 77 ILE C C 77 172.744 172.744 177.424 -4.680 19459 8456 1 13 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.568 -0.634 19459 8457 1 13 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.576 0.596 19459 8458 1 13 . 1 1 77 77 ILE H H 77 7.978 7.978 8.430 -0.452 19459 8459 1 13 . 1 1 78 78 LYS N N 78 123.427 123.427 119.576 3.851 19459 8460 1 13 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.369 0.208 19459 8461 1 13 . 1 1 78 78 LYS C C 78 172.800 172.800 177.207 -4.407 19459 8462 1 13 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.820 -0.437 19459 8463 1 13 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.673 0.179 19459 8464 1 13 . 1 1 78 78 LYS H H 78 9.415 9.415 8.322 1.093 19459 8465 1 13 . 1 1 79 79 GLY N N 79 108.777 108.777 107.672 1.105 19459 8466 1 13 . 1 1 79 79 GLY C C 79 176.221 176.221 174.077 2.144 19459 8467 1 13 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.168 -0.286 19459 8468 1 13 . 1 1 79 79 GLY H H 79 7.857 7.857 8.285 -0.428 19459 8469 1 13 . 1 1 80 80 ILE N N 80 109.131 109.131 116.100 -6.969 19459 8470 1 13 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.058 0.900 19459 8471 1 13 . 1 1 80 80 ILE C C 80 174.883 174.883 174.861 0.022 19459 8472 1 13 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.472 -0.815 19459 8473 1 13 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.835 2.876 19459 8474 1 13 . 1 1 80 80 ILE H H 80 8.076 8.076 8.262 -0.186 19459 8475 1 13 . 1 1 81 81 GLN N N 81 116.732 116.732 122.306 -5.574 19459 8476 1 13 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.600 0.066 19459 8477 1 13 . 1 1 81 81 GLN C C 81 172.989 172.989 173.860 -0.871 19459 8478 1 13 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.281 1.220 19459 8479 1 13 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.614 -1.940 19459 8480 1 13 . 1 1 81 81 GLN H H 81 7.682 7.682 8.256 -0.574 19459 8481 1 13 . 1 1 82 82 PHE N N 82 119.773 119.773 123.731 -3.958 19459 8482 1 13 . 1 1 82 82 PHE HA H 82 3.880 3.880 3.928 -0.048 19459 8483 1 13 . 1 1 82 82 PHE C C 82 173.680 173.680 175.940 -2.260 19459 8484 1 13 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.312 -0.627 19459 8485 1 13 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.157 0.961 19459 8486 1 13 . 1 1 82 82 PHE H H 82 8.615 8.615 8.835 -0.220 19459 8487 1 13 . 1 1 83 83 GLY N N 83 119.507 119.507 114.567 4.940 19459 8488 1 13 . 1 1 83 83 GLY C C 83 174.662 174.662 174.295 0.367 19459 8489 1 13 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.594 -0.103 19459 8490 1 13 . 1 1 83 83 GLY H H 83 9.086 9.086 8.347 0.739 19459 8491 1 13 . 1 1 84 84 SER N N 84 118.128 118.128 116.528 1.600 19459 8492 1 13 . 1 1 84 84 SER HA H 84 4.415 4.415 4.581 -0.166 19459 8493 1 13 . 1 1 84 84 SER C C 84 177.247 177.247 173.088 4.159 19459 8494 1 13 . 1 1 84 84 SER CA C 84 60.111 60.111 58.402 1.709 19459 8495 1 13 . 1 1 84 84 SER CB C 84 64.281 64.281 65.588 -1.307 19459 8496 1 13 . 1 1 84 84 SER H H 84 8.573 8.573 8.054 0.519 19459 8497 1 13 . 1 1 85 85 GLN N N 85 119.913 119.913 120.569 -0.656 19459 8498 1 13 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.855 -0.036 19459 8499 1 13 . 1 1 85 85 GLN C C 85 172.795 172.795 174.748 -1.953 19459 8500 1 13 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.546 -0.381 19459 8501 1 13 . 1 1 85 85 GLN CB C 85 32.744 32.744 33.063 -0.319 19459 8502 1 13 . 1 1 85 85 GLN H H 85 8.211 8.211 8.578 -0.367 19459 8503 1 13 . 1 1 86 86 ILE N N 86 119.724 119.724 117.981 1.743 19459 8504 1 13 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.994 -0.237 19459 8505 1 13 . 1 1 86 86 ILE C C 86 174.969 174.969 173.672 1.297 19459 8506 1 13 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.609 1.218 19459 8507 1 13 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.647 -0.853 19459 8508 1 13 . 1 1 86 86 ILE H H 86 9.215 9.215 9.200 0.015 19459 8509 1 13 . 1 1 87 87 LYS N N 87 117.135 117.135 119.884 -2.749 19459 8510 1 13 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.834 0.401 19459 8511 1 13 . 1 1 87 87 LYS C C 87 174.599 174.599 175.808 -1.209 19459 8512 1 13 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.544 -0.831 19459 8513 1 13 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.725 2.102 19459 8514 1 13 . 1 1 87 87 LYS H H 87 7.600 7.600 8.635 -1.035 19459 8515 1 13 . 1 1 88 88 TYR N N 88 119.004 119.004 122.826 -3.822 19459 8516 1 13 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.917 0.505 19459 8517 1 13 . 1 1 88 88 TYR C C 88 174.407 174.407 175.870 -1.463 19459 8518 1 13 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.115 -0.180 19459 8519 1 13 . 1 1 88 88 TYR CB C 88 43.959 43.959 39.506 4.453 19459 8520 1 13 . 1 1 88 88 TYR H H 88 8.601 8.601 8.975 -0.374 19459 8521 1 13 . 1 1 89 89 SER N N 89 113.228 113.228 115.814 -2.586 19459 8522 1 13 . 1 1 89 89 SER HA H 89 4.668 4.668 4.411 0.257 19459 8523 1 13 . 1 1 89 89 SER C C 89 177.136 177.136 174.485 2.651 19459 8524 1 13 . 1 1 89 89 SER CA C 89 57.291 57.291 58.844 -1.553 19459 8525 1 13 . 1 1 89 89 SER CB C 89 66.534 66.534 63.318 3.216 19459 8526 1 13 . 1 1 89 89 SER H H 89 9.007 9.007 7.763 1.244 19459 8527 1 13 . 1 1 90 90 CYS N N 90 116.009 116.009 126.690 -10.681 19459 8528 1 13 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.451 0.970 19459 8529 1 13 . 1 1 90 90 CYS C C 90 173.812 173.812 174.885 -1.073 19459 8530 1 13 . 1 1 90 90 CYS CA C 90 53.084 53.084 57.934 -4.849 19459 8531 1 13 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.328 14.076 19459 8532 1 13 . 1 1 90 90 CYS H H 90 8.806 8.806 8.673 0.133 19459 8533 1 13 . 1 1 91 91 THR N N 91 120.813 120.813 115.935 4.878 19459 8534 1 13 . 1 1 91 91 THR HA H 91 3.994 3.994 4.154 -0.160 19459 8535 1 13 . 1 1 91 91 THR C C 91 176.445 176.445 174.997 1.448 19459 8536 1 13 . 1 1 91 91 THR CA C 91 63.440 63.440 62.481 0.959 19459 8537 1 13 . 1 1 91 91 THR CB C 91 69.608 69.608 69.496 0.113 19459 8538 1 13 . 1 1 91 91 THR H H 91 8.737 8.737 7.105 1.632 19459 8539 1 13 . 1 1 92 92 LYS N N 92 124.963 124.963 122.743 2.220 19459 8540 1 13 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.182 -0.078 19459 8541 1 13 . 1 1 92 92 LYS C C 92 172.310 172.310 177.716 -5.406 19459 8542 1 13 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.949 0.938 19459 8543 1 13 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.536 -0.397 19459 8544 1 13 . 1 1 92 92 LYS H H 92 8.325 8.325 8.464 -0.139 19459 8545 1 13 . 1 1 93 93 GLY N N 93 113.608 113.608 108.088 5.520 19459 8546 1 13 . 1 1 93 93 GLY C C 93 175.127 175.127 172.628 2.499 19459 8547 1 13 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.492 0.218 19459 8548 1 13 . 1 1 93 93 GLY H H 93 8.827 8.827 8.125 0.702 19459 8549 1 13 . 1 1 94 94 TYR N N 94 119.900 119.900 121.327 -1.427 19459 8550 1 13 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.938 -0.296 19459 8551 1 13 . 1 1 94 94 TYR C C 94 174.548 174.548 173.232 1.316 19459 8552 1 13 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.370 0.788 19459 8553 1 13 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.608 0.586 19459 8554 1 13 . 1 1 94 94 TYR H H 94 8.281 8.281 7.853 0.428 19459 8555 1 13 . 1 1 95 95 ARG N N 95 122.431 122.431 120.007 2.424 19459 8556 1 13 . 1 1 95 95 ARG HA H 95 4.528 4.528 3.765 0.763 19459 8557 1 13 . 1 1 95 95 ARG C C 95 175.179 175.179 173.243 1.936 19459 8558 1 13 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.006 0.547 19459 8559 1 13 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.692 -0.491 19459 8560 1 13 . 1 1 95 95 ARG H H 95 9.608 9.608 8.086 1.522 19459 8561 1 13 . 1 1 96 96 LEU N N 96 125.652 125.652 122.226 3.426 19459 8562 1 13 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.594 0.068 19459 8563 1 13 . 1 1 96 96 LEU C C 96 172.420 172.420 175.994 -3.574 19459 8564 1 13 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.016 2.487 19459 8565 1 13 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.983 -1.177 19459 8566 1 13 . 1 1 96 96 LEU H H 96 8.231 8.231 8.286 -0.055 19459 8567 1 13 . 1 1 97 97 ILE N N 97 131.597 131.597 124.142 7.455 19459 8568 1 13 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.912 0.328 19459 8569 1 13 . 1 1 97 97 ILE C C 97 174.158 174.158 176.720 -2.562 19459 8570 1 13 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.633 -0.464 19459 8571 1 13 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.917 -0.114 19459 8572 1 13 . 1 1 97 97 ILE H H 97 9.661 9.661 8.598 1.063 19459 8573 1 13 . 1 1 98 98 GLY N N 98 116.731 116.731 107.454 9.277 19459 8574 1 13 . 1 1 98 98 GLY C C 98 176.923 176.923 173.955 2.968 19459 8575 1 13 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.176 -1.112 19459 8576 1 13 . 1 1 98 98 GLY H H 98 8.465 8.465 7.943 0.522 19459 8577 1 13 . 1 1 99 99 SER N N 99 116.632 116.632 116.863 -0.231 19459 8578 1 13 . 1 1 99 99 SER HA H 99 4.509 4.509 4.630 -0.121 19459 8579 1 13 . 1 1 99 99 SER C C 99 175.013 175.013 174.304 0.709 19459 8580 1 13 . 1 1 99 99 SER CA C 99 58.328 58.328 58.158 0.170 19459 8581 1 13 . 1 1 99 99 SER CB C 99 63.996 63.996 63.677 0.319 19459 8582 1 13 . 1 1 99 99 SER H H 99 8.759 8.759 8.529 0.230 19459 8583 1 13 . 1 1 100 100 SER N N 100 116.696 116.696 117.945 -1.249 19459 8584 1 13 . 1 1 100 100 SER HA H 100 4.447 4.447 4.614 -0.167 19459 8585 1 13 . 1 1 100 100 SER C C 100 175.403 175.403 174.411 0.992 19459 8586 1 13 . 1 1 100 100 SER CA C 100 59.209 59.209 59.640 -0.431 19459 8587 1 13 . 1 1 100 100 SER CB C 100 64.035 64.035 63.814 0.221 19459 8588 1 13 . 1 1 100 100 SER H H 100 8.617 8.617 8.819 -0.202 19459 8589 1 13 . 1 1 101 101 SER N N 101 115.247 115.247 113.701 1.546 19459 8590 1 13 . 1 1 101 101 SER HA H 101 5.346 5.346 5.112 0.234 19459 8591 1 13 . 1 1 101 101 SER C C 101 176.888 176.888 172.626 4.262 19459 8592 1 13 . 1 1 101 101 SER CA C 101 57.021 57.021 57.106 -0.085 19459 8593 1 13 . 1 1 101 101 SER CB C 101 66.391 66.391 66.542 -0.151 19459 8594 1 13 . 1 1 101 101 SER H H 101 7.952 7.952 7.554 0.398 19459 8595 1 13 . 1 1 102 102 ALA N N 102 121.438 121.438 120.788 0.650 19459 8596 1 13 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.862 0.225 19459 8597 1 13 . 1 1 102 102 ALA C C 102 173.807 173.807 175.376 -1.569 19459 8598 1 13 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.718 0.105 19459 8599 1 13 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.611 1.460 19459 8600 1 13 . 1 1 102 102 ALA H H 102 8.286 8.286 8.886 -0.600 19459 8601 1 13 . 1 1 103 103 THR N N 103 118.007 118.007 117.445 0.562 19459 8602 1 13 . 1 1 103 103 THR HA H 103 5.560 5.560 5.375 0.185 19459 8603 1 13 . 1 1 103 103 THR C C 103 176.159 176.159 174.354 1.805 19459 8604 1 13 . 1 1 103 103 THR CA C 103 61.342 61.342 61.656 -0.314 19459 8605 1 13 . 1 1 103 103 THR CB C 103 71.171 71.171 70.558 0.613 19459 8606 1 13 . 1 1 103 103 THR H H 103 9.636 9.636 8.519 1.117 19459 8607 1 13 . 1 1 104 104 CYS N N 104 127.602 127.602 129.194 -1.592 19459 8608 1 13 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.602 -0.236 19459 8609 1 13 . 1 1 104 104 CYS C C 104 174.892 174.892 174.400 0.492 19459 8610 1 13 . 1 1 104 104 CYS CA C 104 55.479 55.479 58.086 -2.607 19459 8611 1 13 . 1 1 104 104 CYS CB C 104 39.185 39.185 25.770 13.415 19459 8612 1 13 . 1 1 104 104 CYS H H 104 8.338 8.338 8.922 -0.584 19459 8613 1 13 . 1 1 105 105 ILE N N 105 126.775 126.775 125.678 1.097 19459 8614 1 13 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.107 -0.198 19459 8615 1 13 . 1 1 105 105 ILE C C 105 174.390 174.390 173.913 0.477 19459 8616 1 13 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.691 1.530 19459 8617 1 13 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.431 1.091 19459 8618 1 13 . 1 1 105 105 ILE H H 105 9.375 9.375 9.314 0.061 19459 8619 1 13 . 1 1 106 106 ILE N N 106 118.256 118.256 122.651 -4.395 19459 8620 1 13 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.105 -0.035 19459 8621 1 13 . 1 1 106 106 ILE C C 106 172.560 172.560 176.816 -4.256 19459 8622 1 13 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.463 1.426 19459 8623 1 13 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.806 2.879 19459 8624 1 13 . 1 1 106 106 ILE H H 106 8.041 8.041 8.456 -0.415 19459 8625 1 13 . 1 1 107 107 SER N N 107 120.167 120.167 123.114 -2.947 19459 8626 1 13 . 1 1 107 107 SER HA H 107 4.376 4.376 4.456 -0.080 19459 8627 1 13 . 1 1 107 107 SER C C 107 174.594 174.594 175.521 -0.927 19459 8628 1 13 . 1 1 107 107 SER CA C 107 57.111 57.111 58.609 -1.498 19459 8629 1 13 . 1 1 107 107 SER CB C 107 63.835 63.835 64.172 -0.337 19459 8630 1 13 . 1 1 107 107 SER H H 107 8.013 8.013 8.835 -0.822 19459 8631 1 13 . 1 1 108 108 GLY N N 108 119.089 119.089 110.619 8.470 19459 8632 1 13 . 1 1 108 108 GLY C C 108 174.665 174.665 174.186 0.479 19459 8633 1 13 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.369 2.119 19459 8634 1 13 . 1 1 108 108 GLY H H 108 9.116 9.116 7.617 1.499 19459 8635 1 13 . 1 1 109 109 ASP N N 109 127.143 127.143 122.738 4.405 19459 8636 1 13 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.563 0.198 19459 8637 1 13 . 1 1 109 109 ASP C C 109 173.724 173.724 176.756 -3.032 19459 8638 1 13 . 1 1 109 109 ASP CA C 109 53.723 53.723 56.125 -2.402 19459 8639 1 13 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.549 -0.317 19459 8640 1 13 . 1 1 109 109 ASP H H 109 8.845 8.845 8.481 0.364 19459 8641 1 13 . 1 1 110 110 THR N N 110 115.044 115.044 109.615 5.429 19459 8642 1 13 . 1 1 110 110 THR HA H 110 4.663 4.663 4.452 0.211 19459 8643 1 13 . 1 1 110 110 THR C C 110 175.636 175.636 172.308 3.328 19459 8644 1 13 . 1 1 110 110 THR CA C 110 58.612 58.612 60.314 -1.702 19459 8645 1 13 . 1 1 110 110 THR CB C 110 71.146 71.146 70.461 0.685 19459 8646 1 13 . 1 1 110 110 THR H H 110 8.134 8.134 7.294 0.840 19459 8647 1 13 . 1 1 111 111 VAL N N 111 115.728 115.728 119.031 -3.303 19459 8648 1 13 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.851 0.464 19459 8649 1 13 . 1 1 111 111 VAL C C 111 174.752 174.752 174.159 0.593 19459 8650 1 13 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.139 -1.498 19459 8651 1 13 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.531 1.293 19459 8652 1 13 . 1 1 111 111 VAL H H 111 8.310 8.310 8.346 -0.036 19459 8653 1 13 . 1 1 112 112 ILE N N 112 117.116 117.116 119.634 -2.518 19459 8654 1 13 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.653 -0.147 19459 8655 1 13 . 1 1 112 112 ILE C C 112 174.637 174.637 174.686 -0.049 19459 8656 1 13 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.019 0.476 19459 8657 1 13 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.666 1.525 19459 8658 1 13 . 1 1 112 112 ILE H H 112 8.945 8.945 8.777 0.168 19459 8659 1 13 . 1 1 113 113 TRP N N 113 121.755 121.755 121.300 0.455 19459 8660 1 13 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.030 0.077 19459 8661 1 13 . 1 1 113 113 TRP C C 113 170.413 170.413 176.680 -6.267 19459 8662 1 13 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.747 -0.370 19459 8663 1 13 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.580 -0.284 19459 8664 1 13 . 1 1 113 113 TRP H H 113 7.567 7.567 8.458 -0.891 19459 8665 1 13 . 1 1 114 114 ASP N N 114 123.286 123.286 121.375 1.911 19459 8666 1 13 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.487 -0.280 19459 8667 1 13 . 1 1 114 114 ASP C C 114 174.083 174.083 176.924 -2.841 19459 8668 1 13 . 1 1 114 114 ASP CA C 114 55.401 55.401 56.894 -1.493 19459 8669 1 13 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.392 -1.243 19459 8670 1 13 . 1 1 114 114 ASP H H 114 9.451 9.451 8.472 0.979 19459 8671 1 13 . 1 1 115 115 GLN N N 115 116.139 116.139 119.219 -3.080 19459 8672 1 13 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.036 0.709 19459 8673 1 13 . 1 1 115 115 GLN C C 115 173.639 173.639 176.627 -2.988 19459 8674 1 13 . 1 1 115 115 GLN CA C 115 53.183 53.183 57.251 -4.068 19459 8675 1 13 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.547 3.776 19459 8676 1 13 . 1 1 115 115 GLN H H 115 7.305 7.305 8.239 -0.934 19459 8677 1 13 . 1 1 116 116 GLU N N 116 120.881 120.881 125.787 -4.906 19459 8678 1 13 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.178 0.152 19459 8679 1 13 . 1 1 116 116 GLU C C 116 173.578 173.578 176.507 -2.929 19459 8680 1 13 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.290 -3.133 19459 8681 1 13 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.272 -0.057 19459 8682 1 13 . 1 1 116 116 GLU H H 116 8.615 8.615 8.714 -0.099 19459 8683 1 13 . 1 1 117 117 THR N N 117 119.889 119.889 109.152 10.737 19459 8684 1 13 . 1 1 117 117 THR HA H 117 3.609 3.609 4.328 -0.719 19459 8685 1 13 . 1 1 117 117 THR C C 117 176.699 176.699 171.932 4.767 19459 8686 1 13 . 1 1 117 117 THR CA C 117 61.757 61.757 61.081 0.676 19459 8687 1 13 . 1 1 117 117 THR CB C 117 69.799 69.799 69.763 0.037 19459 8688 1 13 . 1 1 117 117 THR H H 117 8.075 8.075 7.466 0.609 19459 8689 1 13 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.307 0.225 19459 8690 1 13 . 1 1 118 118 PRO C C 118 175.300 175.300 175.428 -0.128 19459 8691 1 13 . 1 1 118 118 PRO CA C 118 62.360 62.360 63.248 -0.888 19459 8692 1 13 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.154 1.734 19459 8693 1 13 . 1 1 119 119 ILE N N 119 114.729 114.729 124.166 -9.437 19459 8694 1 13 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.283 0.004 19459 8695 1 13 . 1 1 119 119 ILE C C 119 174.748 174.748 175.076 -0.328 19459 8696 1 13 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.647 -1.405 19459 8697 1 13 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.058 0.126 19459 8698 1 13 . 1 1 119 119 ILE H H 119 7.874 7.874 7.872 0.002 19459 8699 1 13 . 1 1 120 120 CYS N N 120 123.444 123.444 126.757 -3.313 19459 8700 1 13 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.829 0.721 19459 8701 1 13 . 1 1 120 120 CYS C C 120 175.583 175.583 175.144 0.439 19459 8702 1 13 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.271 -4.577 19459 8703 1 13 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.602 12.848 19459 8704 1 13 . 1 1 120 120 CYS H H 120 8.583 8.583 8.624 -0.041 19459 8705 1 13 . 1 1 121 121 ASP N N 121 124.459 124.459 125.494 -1.035 19459 8706 1 13 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.500 0.807 19459 8707 1 13 . 1 1 121 121 ASP C C 121 174.495 174.495 176.698 -2.203 19459 8708 1 13 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.150 -2.933 19459 8709 1 13 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.364 3.039 19459 8710 1 13 . 1 1 121 121 ASP H H 121 9.309 9.309 8.718 0.591 19459 8711 1 14 . 1 1 2 2 CYS N N 2 117.967 117.967 119.192 -1.225 19459 8712 1 14 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.355 0.172 19459 8713 1 14 . 1 1 2 2 CYS C C 2 174.023 174.023 175.223 -1.200 19459 8714 1 14 . 1 1 2 2 CYS CA C 2 58.972 58.972 60.160 -1.188 19459 8715 1 14 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.651 17.408 19459 8716 1 14 . 1 1 2 2 CYS H H 2 9.327 9.327 8.368 0.959 19459 8717 1 14 . 1 1 3 3 ASN N N 3 119.722 119.722 115.849 3.873 19459 8718 1 14 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.430 0.819 19459 8719 1 14 . 1 1 3 3 ASN C C 3 175.027 175.027 174.177 0.850 19459 8720 1 14 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.236 -0.723 19459 8721 1 14 . 1 1 3 3 ASN CB C 3 39.643 39.643 38.084 1.558 19459 8722 1 14 . 1 1 3 3 ASN H H 3 8.686 8.686 8.574 0.112 19459 8723 1 14 . 1 1 4 4 ALA N N 4 122.403 122.403 118.415 3.988 19459 8724 1 14 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.645 -0.216 19459 8725 1 14 . 1 1 4 4 ALA C C 4 173.517 173.517 175.569 -2.052 19459 8726 1 14 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.401 -0.589 19459 8727 1 14 . 1 1 4 4 ALA CB C 4 16.987 16.987 17.874 -0.887 19459 8728 1 14 . 1 1 4 4 ALA H H 4 8.401 8.401 8.386 0.014 19459 8729 1 14 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.692 -0.784 19459 8730 1 14 . 1 1 5 5 PRO C C 5 172.806 172.806 176.371 -3.565 19459 8731 1 14 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.565 -1.114 19459 8732 1 14 . 1 1 5 5 PRO CB C 5 31.552 31.552 31.966 -0.414 19459 8733 1 14 . 1 1 6 6 GLU N N 6 121.296 121.296 116.749 4.547 19459 8734 1 14 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.494 -0.303 19459 8735 1 14 . 1 1 6 6 GLU C C 6 172.835 172.835 174.717 -1.882 19459 8736 1 14 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.304 0.871 19459 8737 1 14 . 1 1 6 6 GLU CB C 6 29.964 29.964 31.183 -1.219 19459 8738 1 14 . 1 1 6 6 GLU H H 6 8.443 8.443 8.203 0.240 19459 8739 1 14 . 1 1 7 7 TRP N N 7 124.746 124.746 123.808 0.938 19459 8740 1 14 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.751 -0.819 19459 8741 1 14 . 1 1 7 7 TRP C C 7 174.236 174.236 174.865 -0.629 19459 8742 1 14 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.119 2.793 19459 8743 1 14 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.827 -0.794 19459 8744 1 14 . 1 1 7 7 TRP H H 7 8.674 8.674 8.570 0.104 19459 8745 1 14 . 1 1 8 8 LEU N N 8 125.782 125.782 131.795 -6.013 19459 8746 1 14 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.337 0.219 19459 8747 1 14 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.009 -0.044 19459 8748 1 14 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.461 -0.568 19459 8749 1 14 . 1 1 8 8 LEU H H 8 7.922 7.922 7.878 0.044 19459 8750 1 14 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.598 0.000 19459 8751 1 14 . 1 1 9 9 PRO C C 9 172.961 172.961 177.175 -4.214 19459 8752 1 14 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.207 -0.667 19459 8753 1 14 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.645 -0.208 19459 8754 1 14 . 1 1 10 10 PHE N N 10 106.863 106.863 116.766 -9.903 19459 8755 1 14 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.352 -0.743 19459 8756 1 14 . 1 1 10 10 PHE C C 10 175.535 175.535 176.200 -0.665 19459 8757 1 14 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.502 -3.645 19459 8758 1 14 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.955 2.820 19459 8759 1 14 . 1 1 10 10 PHE H H 10 5.588 5.588 7.405 -1.817 19459 8760 1 14 . 1 1 11 11 ALA N N 11 121.214 121.214 118.953 2.261 19459 8761 1 14 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.431 -0.288 19459 8762 1 14 . 1 1 11 11 ALA C C 11 175.918 175.918 175.806 0.112 19459 8763 1 14 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.542 1.326 19459 8764 1 14 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.151 2.579 19459 8765 1 14 . 1 1 11 11 ALA H H 11 6.349 6.349 7.218 -0.869 19459 8766 1 14 . 1 1 12 12 ARG N N 12 117.160 117.160 118.577 -1.417 19459 8767 1 14 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.703 -0.006 19459 8768 1 14 . 1 1 12 12 ARG C C 12 178.499 178.499 173.116 5.383 19459 8769 1 14 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.497 1.368 19459 8770 1 14 . 1 1 12 12 ARG H H 12 9.219 9.219 7.940 1.279 19459 8771 1 14 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.615 -0.946 19459 8772 1 14 . 1 1 13 13 PRO C C 13 171.555 171.555 177.577 -6.022 19459 8773 1 14 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.091 -0.710 19459 8774 1 14 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.669 -1.121 19459 8775 1 14 . 1 1 14 14 THR N N 14 112.823 112.823 112.832 -0.009 19459 8776 1 14 . 1 1 14 14 THR HA H 14 3.905 3.905 4.200 -0.295 19459 8777 1 14 . 1 1 14 14 THR C C 14 174.364 174.364 174.979 -0.615 19459 8778 1 14 . 1 1 14 14 THR CA C 14 63.180 63.180 63.789 -0.610 19459 8779 1 14 . 1 1 14 14 THR CB C 14 68.154 68.154 68.882 -0.728 19459 8780 1 14 . 1 1 14 14 THR H H 14 8.062 8.062 8.201 -0.139 19459 8781 1 14 . 1 1 15 15 GLN N N 15 119.736 119.736 118.815 0.921 19459 8782 1 14 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.436 0.065 19459 8783 1 14 . 1 1 15 15 GLN C C 15 174.815 174.815 176.751 -1.936 19459 8784 1 14 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.914 -2.547 19459 8785 1 14 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.564 2.553 19459 8786 1 14 . 1 1 15 15 GLN H H 15 7.758 7.758 7.785 -0.027 19459 8787 1 14 . 1 1 16 16 LEU N N 16 124.583 124.583 121.074 3.509 19459 8788 1 14 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.266 0.095 19459 8789 1 14 . 1 1 16 16 LEU C C 16 172.167 172.167 178.297 -6.130 19459 8790 1 14 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.345 -2.048 19459 8791 1 14 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.641 0.393 19459 8792 1 14 . 1 1 16 16 LEU H H 16 8.458 8.458 7.880 0.578 19459 8793 1 14 . 1 1 17 17 THR N N 17 116.730 116.730 112.362 4.368 19459 8794 1 14 . 1 1 17 17 THR HA H 17 4.633 4.633 3.707 0.926 19459 8795 1 14 . 1 1 17 17 THR C C 17 175.703 175.703 175.407 0.296 19459 8796 1 14 . 1 1 17 17 THR CA C 17 60.358 60.358 65.108 -4.750 19459 8797 1 14 . 1 1 17 17 THR CB C 17 70.110 70.110 68.697 1.413 19459 8798 1 14 . 1 1 17 17 THR H H 17 8.325 8.325 7.883 0.442 19459 8799 1 14 . 1 1 18 18 ASP N N 18 122.839 122.839 118.101 4.738 19459 8800 1 14 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.788 -0.046 19459 8801 1 14 . 1 1 18 18 ASP C C 18 173.642 173.642 175.720 -2.078 19459 8802 1 14 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.518 -1.305 19459 8803 1 14 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.053 -2.131 19459 8804 1 14 . 1 1 18 18 ASP H H 18 8.487 8.487 7.609 0.878 19459 8805 1 14 . 1 1 19 19 GLU N N 19 120.523 120.523 119.443 1.080 19459 8806 1 14 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.619 -0.546 19459 8807 1 14 . 1 1 19 19 GLU C C 19 174.249 174.249 176.044 -1.795 19459 8808 1 14 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.462 0.688 19459 8809 1 14 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.014 0.329 19459 8810 1 14 . 1 1 19 19 GLU H H 19 7.931 7.931 7.244 0.687 19459 8811 1 14 . 1 1 20 20 PHE N N 20 118.500 118.500 120.858 -2.358 19459 8812 1 14 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.346 0.400 19459 8813 1 14 . 1 1 20 20 PHE C C 20 174.885 174.885 176.446 -1.561 19459 8814 1 14 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.132 -4.618 19459 8815 1 14 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.591 0.892 19459 8816 1 14 . 1 1 20 20 PHE H H 20 8.279 8.279 8.252 0.027 19459 8817 1 14 . 1 1 21 21 GLU N N 21 117.080 117.080 119.674 -2.594 19459 8818 1 14 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.779 0.231 19459 8819 1 14 . 1 1 21 21 GLU C C 21 174.900 174.900 175.725 -0.825 19459 8820 1 14 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.893 -1.620 19459 8821 1 14 . 1 1 21 21 GLU CB C 21 31.373 31.373 30.831 0.542 19459 8822 1 14 . 1 1 21 21 GLU H H 21 7.022 7.022 8.257 -1.235 19459 8823 1 14 . 1 1 22 22 PHE N N 22 119.655 119.655 123.927 -4.272 19459 8824 1 14 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.975 -0.006 19459 8825 1 14 . 1 1 22 22 PHE C C 22 176.708 176.708 173.417 3.291 19459 8826 1 14 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.311 -0.535 19459 8827 1 14 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.210 -0.464 19459 8828 1 14 . 1 1 22 22 PHE H H 22 8.974 8.974 8.460 0.514 19459 8829 1 14 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.482 0.106 19459 8830 1 14 . 1 1 23 23 PRO C C 23 171.163 171.163 175.869 -4.706 19459 8831 1 14 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.733 -0.316 19459 8832 1 14 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.239 0.416 19459 8833 1 14 . 1 1 24 24 ILE N N 24 123.238 123.238 120.213 3.025 19459 8834 1 14 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.733 -0.323 19459 8835 1 14 . 1 1 24 24 ILE C C 24 172.283 172.283 177.887 -5.604 19459 8836 1 14 . 1 1 24 24 ILE CA C 24 64.046 64.046 61.798 2.248 19459 8837 1 14 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.927 -0.478 19459 8838 1 14 . 1 1 24 24 ILE H H 24 8.199 8.199 8.238 -0.039 19459 8839 1 14 . 1 1 25 25 GLY N N 25 115.962 115.962 115.084 0.878 19459 8840 1 14 . 1 1 25 25 GLY C C 25 174.927 174.927 174.113 0.814 19459 8841 1 14 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.065 -0.642 19459 8842 1 14 . 1 1 25 25 GLY H H 25 9.061 9.061 8.560 0.501 19459 8843 1 14 . 1 1 26 26 THR N N 26 117.152 117.152 116.910 0.242 19459 8844 1 14 . 1 1 26 26 THR HA H 26 4.081 4.081 4.815 -0.734 19459 8845 1 14 . 1 1 26 26 THR C C 26 176.723 176.723 173.378 3.345 19459 8846 1 14 . 1 1 26 26 THR CA C 26 65.711 65.711 61.678 4.033 19459 8847 1 14 . 1 1 26 26 THR CB C 26 70.084 70.084 71.178 -1.094 19459 8848 1 14 . 1 1 26 26 THR H H 26 7.704 7.704 7.428 0.276 19459 8849 1 14 . 1 1 27 27 TYR N N 27 125.094 125.094 125.029 0.065 19459 8850 1 14 . 1 1 27 27 TYR HA H 27 5.792 5.792 5.035 0.757 19459 8851 1 14 . 1 1 27 27 TYR C C 27 173.835 173.835 175.956 -2.121 19459 8852 1 14 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.760 -1.897 19459 8853 1 14 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.704 1.172 19459 8854 1 14 . 1 1 27 27 TYR H H 27 8.542 8.542 8.877 -0.335 19459 8855 1 14 . 1 1 28 28 LEU N N 28 120.714 120.714 123.925 -3.211 19459 8856 1 14 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.706 0.078 19459 8857 1 14 . 1 1 28 28 LEU C C 28 172.808 172.808 176.960 -4.152 19459 8858 1 14 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.174 0.009 19459 8859 1 14 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.168 1.770 19459 8860 1 14 . 1 1 28 28 LEU H H 28 9.000 9.000 8.296 0.704 19459 8861 1 14 . 1 1 29 29 ASN N N 29 121.617 121.617 122.751 -1.134 19459 8862 1 14 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.822 0.078 19459 8863 1 14 . 1 1 29 29 ASN C C 29 174.783 174.783 173.867 0.916 19459 8864 1 14 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.927 1.305 19459 8865 1 14 . 1 1 29 29 ASN CB C 29 39.191 39.191 39.061 0.130 19459 8866 1 14 . 1 1 29 29 ASN H H 29 8.544 8.544 9.038 -0.494 19459 8867 1 14 . 1 1 30 30 TYR N N 30 126.738 126.738 124.004 2.734 19459 8868 1 14 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.593 0.093 19459 8869 1 14 . 1 1 30 30 TYR C C 30 174.911 174.911 174.983 -0.072 19459 8870 1 14 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.920 -0.019 19459 8871 1 14 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.639 4.203 19459 8872 1 14 . 1 1 30 30 TYR H H 30 9.324 9.324 8.008 1.317 19459 8873 1 14 . 1 1 31 31 GLU N N 31 114.116 114.116 122.016 -7.900 19459 8874 1 14 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.596 0.114 19459 8875 1 14 . 1 1 31 31 GLU C C 31 173.694 173.694 174.639 -0.945 19459 8876 1 14 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.882 -1.762 19459 8877 1 14 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.207 -0.581 19459 8878 1 14 . 1 1 31 31 GLU H H 31 8.553 8.553 8.447 0.106 19459 8879 1 14 . 1 1 32 32 CYS N N 32 121.086 121.086 121.657 -0.571 19459 8880 1 14 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.173 -0.122 19459 8881 1 14 . 1 1 32 32 CYS C C 32 173.553 173.553 175.379 -1.826 19459 8882 1 14 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.533 -4.053 19459 8883 1 14 . 1 1 32 32 CYS CB C 32 37.487 37.487 29.388 8.099 19459 8884 1 14 . 1 1 32 32 CYS H H 32 9.784 9.784 8.783 1.001 19459 8885 1 14 . 1 1 33 33 ARG N N 33 123.418 123.418 122.405 1.013 19459 8886 1 14 . 1 1 33 33 ARG C C 33 176.822 176.822 174.541 2.281 19459 8887 1 14 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.180 1.131 19459 8888 1 14 . 1 1 33 33 ARG CB C 33 29.343 29.343 30.706 -1.363 19459 8889 1 14 . 1 1 33 33 ARG H H 33 7.898 7.898 8.493 -0.595 19459 8890 1 14 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.217 0.163 19459 8891 1 14 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.242 0.813 19459 8892 1 14 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.719 -0.384 19459 8893 1 14 . 1 1 35 35 GLY N N 35 111.039 111.039 108.029 3.010 19459 8894 1 14 . 1 1 35 35 GLY C C 35 177.546 177.546 173.166 4.380 19459 8895 1 14 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.954 -1.055 19459 8896 1 14 . 1 1 35 35 GLY H H 35 8.378 8.378 8.446 -0.068 19459 8897 1 14 . 1 1 36 36 TYR N N 36 116.682 116.682 119.363 -2.681 19459 8898 1 14 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.276 -0.255 19459 8899 1 14 . 1 1 36 36 TYR C C 36 174.005 174.005 176.540 -2.535 19459 8900 1 14 . 1 1 36 36 TYR CA C 36 56.495 56.495 54.876 1.619 19459 8901 1 14 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.633 1.348 19459 8902 1 14 . 1 1 36 36 TYR H H 36 8.175 8.175 7.584 0.591 19459 8903 1 14 . 1 1 37 37 SER N N 37 115.855 115.855 119.349 -3.494 19459 8904 1 14 . 1 1 37 37 SER HA H 37 4.819 4.819 4.250 0.569 19459 8905 1 14 . 1 1 37 37 SER C C 37 175.442 175.442 175.365 0.077 19459 8906 1 14 . 1 1 37 37 SER CA C 37 56.534 56.534 60.949 -4.415 19459 8907 1 14 . 1 1 37 37 SER CB C 37 65.642 65.642 63.312 2.330 19459 8908 1 14 . 1 1 37 37 SER H H 37 9.711 9.711 9.127 0.584 19459 8909 1 14 . 1 1 38 38 GLY N N 38 113.435 113.435 110.384 3.051 19459 8910 1 14 . 1 1 38 38 GLY C C 38 175.876 175.876 173.247 2.629 19459 8911 1 14 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.445 0.823 19459 8912 1 14 . 1 1 38 38 GLY H H 38 8.288 8.288 7.998 0.290 19459 8913 1 14 . 1 1 39 39 ARG N N 39 124.199 124.199 118.231 5.968 19459 8914 1 14 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.657 0.082 19459 8915 1 14 . 1 1 39 39 ARG C C 39 175.413 175.413 173.510 1.903 19459 8916 1 14 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.216 2.524 19459 8917 1 14 . 1 1 39 39 ARG CB C 39 29.634 29.634 31.753 -2.119 19459 8918 1 14 . 1 1 39 39 ARG H H 39 8.350 8.350 8.383 -0.033 19459 8919 1 14 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.316 0.342 19459 8920 1 14 . 1 1 40 40 PRO C C 40 173.702 173.702 175.189 -1.487 19459 8921 1 14 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.307 1.163 19459 8922 1 14 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.752 0.436 19459 8923 1 14 . 1 1 41 41 PHE N N 41 118.388 118.388 120.723 -2.335 19459 8924 1 14 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.772 0.391 19459 8925 1 14 . 1 1 41 41 PHE C C 41 176.886 176.886 175.335 1.551 19459 8926 1 14 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.331 -0.765 19459 8927 1 14 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.952 -0.688 19459 8928 1 14 . 1 1 41 41 PHE H H 41 8.017 8.017 8.082 -0.065 19459 8929 1 14 . 1 1 42 42 SER N N 42 114.056 114.056 116.889 -2.833 19459 8930 1 14 . 1 1 42 42 SER HA H 42 5.771 5.771 4.941 0.830 19459 8931 1 14 . 1 1 42 42 SER C C 42 174.978 174.978 174.318 0.660 19459 8932 1 14 . 1 1 42 42 SER CA C 42 56.668 56.668 58.793 -2.125 19459 8933 1 14 . 1 1 42 42 SER CB C 42 66.152 66.152 63.886 2.266 19459 8934 1 14 . 1 1 42 42 SER H H 42 8.540 8.540 8.457 0.083 19459 8935 1 14 . 1 1 43 43 ILE N N 43 115.669 115.669 119.605 -3.936 19459 8936 1 14 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.456 0.609 19459 8937 1 14 . 1 1 43 43 ILE C C 43 174.535 174.535 174.931 -0.396 19459 8938 1 14 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.301 -0.258 19459 8939 1 14 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.320 1.035 19459 8940 1 14 . 1 1 43 43 ILE H H 43 8.637 8.637 7.795 0.842 19459 8941 1 14 . 1 1 44 44 ILE N N 44 120.215 120.215 122.908 -2.693 19459 8942 1 14 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.928 0.358 19459 8943 1 14 . 1 1 44 44 ILE C C 44 174.033 174.033 177.315 -3.282 19459 8944 1 14 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.061 0.595 19459 8945 1 14 . 1 1 44 44 ILE CB C 44 42.330 42.330 41.572 0.758 19459 8946 1 14 . 1 1 44 44 ILE H H 44 8.687 8.687 7.717 0.970 19459 8947 1 14 . 1 1 45 45 CYS N N 45 126.257 126.257 125.193 1.064 19459 8948 1 14 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.837 -0.085 19459 8949 1 14 . 1 1 45 45 CYS C C 45 174.946 174.946 175.853 -0.907 19459 8950 1 14 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.055 -3.989 19459 8951 1 14 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.758 14.853 19459 8952 1 14 . 1 1 45 45 CYS H H 45 7.993 7.993 8.871 -0.878 19459 8953 1 14 . 1 1 46 46 LEU N N 46 132.514 132.514 122.139 10.375 19459 8954 1 14 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.943 0.473 19459 8955 1 14 . 1 1 46 46 LEU C C 46 172.195 172.195 177.598 -5.403 19459 8956 1 14 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.256 -2.912 19459 8957 1 14 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.873 2.331 19459 8958 1 14 . 1 1 46 46 LEU H H 46 8.826 8.826 8.133 0.693 19459 8959 1 14 . 1 1 47 47 LYS N N 47 115.254 115.254 118.536 -3.282 19459 8960 1 14 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.275 -0.287 19459 8961 1 14 . 1 1 47 47 LYS C C 47 173.781 173.781 176.209 -2.428 19459 8962 1 14 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.311 2.672 19459 8963 1 14 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.362 -1.154 19459 8964 1 14 . 1 1 47 47 LYS H H 47 7.949 7.949 8.295 -0.346 19459 8965 1 14 . 1 1 48 48 ASN N N 48 115.283 115.283 126.348 -11.065 19459 8966 1 14 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.462 0.074 19459 8967 1 14 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.804 -0.264 19459 8968 1 14 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.317 -0.945 19459 8969 1 14 . 1 1 48 48 ASN H H 48 8.432 8.432 9.202 -0.770 19459 8970 1 14 . 1 1 49 49 SER N N 49 110.595 110.595 106.100 4.495 19459 8971 1 14 . 1 1 49 49 SER HA H 49 3.969 3.969 4.007 -0.038 19459 8972 1 14 . 1 1 49 49 SER CA C 49 59.790 59.790 60.242 -0.452 19459 8973 1 14 . 1 1 49 49 SER CB C 49 60.870 60.870 61.681 -0.811 19459 8974 1 14 . 1 1 49 49 SER H H 49 8.457 8.457 8.278 0.179 19459 8975 1 14 . 1 1 50 50 VAL N N 50 117.680 117.680 116.492 1.188 19459 8976 1 14 . 1 1 50 50 VAL HA H 50 4.333 4.333 4.207 0.126 19459 8977 1 14 . 1 1 50 50 VAL C C 50 175.347 175.347 174.833 0.514 19459 8978 1 14 . 1 1 50 50 VAL CA C 50 59.884 59.884 59.207 0.677 19459 8979 1 14 . 1 1 50 50 VAL CB C 50 34.837 34.837 35.559 -0.722 19459 8980 1 14 . 1 1 50 50 VAL H H 50 6.840 6.840 7.345 -0.505 19459 8981 1 14 . 1 1 51 51 TRP N N 51 123.510 123.510 121.382 2.128 19459 8982 1 14 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.093 0.229 19459 8983 1 14 . 1 1 51 51 TRP C C 51 170.736 170.736 178.406 -7.670 19459 8984 1 14 . 1 1 51 51 TRP CA C 51 55.937 55.937 58.314 -2.377 19459 8985 1 14 . 1 1 51 51 TRP CB C 51 30.791 30.791 29.584 1.207 19459 8986 1 14 . 1 1 51 51 TRP H H 51 8.310 8.310 8.535 -0.225 19459 8987 1 14 . 1 1 52 52 THR N N 52 115.962 115.962 111.303 4.659 19459 8988 1 14 . 1 1 52 52 THR HA H 52 4.656 4.656 4.120 0.536 19459 8989 1 14 . 1 1 52 52 THR C C 52 175.780 175.780 174.634 1.146 19459 8990 1 14 . 1 1 52 52 THR CA C 52 61.376 61.376 63.785 -2.409 19459 8991 1 14 . 1 1 52 52 THR CB C 52 70.723 70.723 69.193 1.530 19459 8992 1 14 . 1 1 52 52 THR H H 52 9.026 9.026 8.162 0.864 19459 8993 1 14 . 1 1 53 53 GLY N N 53 108.521 108.521 108.066 0.455 19459 8994 1 14 . 1 1 53 53 GLY C C 53 174.881 174.881 173.981 0.900 19459 8995 1 14 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.631 0.713 19459 8996 1 14 . 1 1 53 53 GLY H H 53 8.292 8.292 7.784 0.508 19459 8997 1 14 . 1 1 54 54 ALA N N 54 121.857 121.857 124.043 -2.186 19459 8998 1 14 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.011 0.142 19459 8999 1 14 . 1 1 54 54 ALA C C 54 172.786 172.786 177.347 -4.561 19459 9000 1 14 . 1 1 54 54 ALA CA C 54 51.697 51.697 53.079 -1.382 19459 9001 1 14 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.756 0.958 19459 9002 1 14 . 1 1 54 54 ALA H H 54 8.443 8.443 8.414 0.029 19459 9003 1 14 . 1 1 55 55 LYS N N 55 118.318 118.318 119.916 -1.598 19459 9004 1 14 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.120 -0.376 19459 9005 1 14 . 1 1 55 55 LYS C C 55 172.519 172.519 176.518 -3.999 19459 9006 1 14 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.389 1.555 19459 9007 1 14 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.765 -0.133 19459 9008 1 14 . 1 1 55 55 LYS H H 55 7.612 7.612 7.622 -0.010 19459 9009 1 14 . 1 1 56 56 ASP N N 56 119.214 119.214 119.603 -0.389 19459 9010 1 14 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.571 -0.454 19459 9011 1 14 . 1 1 56 56 ASP C C 56 173.700 173.700 176.134 -2.434 19459 9012 1 14 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.752 -0.368 19459 9013 1 14 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.247 -0.077 19459 9014 1 14 . 1 1 56 56 ASP H H 56 8.555 8.555 8.845 -0.290 19459 9015 1 14 . 1 1 57 57 ARG N N 57 116.006 116.006 117.250 -1.244 19459 9016 1 14 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.179 -0.299 19459 9017 1 14 . 1 1 57 57 ARG C C 57 171.638 171.638 175.809 -4.171 19459 9018 1 14 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.965 -2.038 19459 9019 1 14 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.664 1.493 19459 9020 1 14 . 1 1 57 57 ARG H H 57 7.352 7.352 8.168 -0.816 19459 9021 1 14 . 1 1 58 58 CYS N N 58 115.000 115.000 114.634 0.366 19459 9022 1 14 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.485 1.089 19459 9023 1 14 . 1 1 58 58 CYS C C 58 175.576 175.576 173.127 2.449 19459 9024 1 14 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.625 -4.773 19459 9025 1 14 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.199 15.377 19459 9026 1 14 . 1 1 58 58 CYS H H 58 7.587 7.587 7.788 -0.201 19459 9027 1 14 . 1 1 59 59 ARG N N 59 123.440 123.440 121.929 1.511 19459 9028 1 14 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.614 0.146 19459 9029 1 14 . 1 1 59 59 ARG C C 59 173.566 173.566 174.738 -1.172 19459 9030 1 14 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.714 -0.475 19459 9031 1 14 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.958 -1.156 19459 9032 1 14 . 1 1 59 59 ARG H H 59 8.984 8.984 8.310 0.674 19459 9033 1 14 . 1 1 60 60 ARG N N 60 125.644 125.644 124.775 0.869 19459 9034 1 14 . 1 1 60 60 ARG HA H 60 3.651 3.651 5.356 -1.705 19459 9035 1 14 . 1 1 60 60 ARG C C 60 172.119 172.119 175.427 -3.308 19459 9036 1 14 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.364 3.934 19459 9037 1 14 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.988 -0.720 19459 9038 1 14 . 1 1 60 60 ARG H H 60 9.163 9.163 8.622 0.541 19459 9039 1 14 . 1 1 61 61 LYS N N 61 124.217 124.217 121.656 2.561 19459 9040 1 14 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.387 -0.270 19459 9041 1 14 . 1 1 61 61 LYS C C 61 173.791 173.791 175.662 -1.871 19459 9042 1 14 . 1 1 61 61 LYS CA C 61 57.198 57.198 55.540 1.658 19459 9043 1 14 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.098 1.116 19459 9044 1 14 . 1 1 61 61 LYS H H 61 8.601 8.601 8.214 0.387 19459 9045 1 14 . 1 1 62 62 SER N N 62 114.120 114.120 115.938 -1.818 19459 9046 1 14 . 1 1 62 62 SER HA H 62 4.765 4.765 4.388 0.377 19459 9047 1 14 . 1 1 62 62 SER C C 62 175.019 175.019 174.300 0.719 19459 9048 1 14 . 1 1 62 62 SER CA C 62 58.227 58.227 58.369 -0.142 19459 9049 1 14 . 1 1 62 62 SER CB C 62 65.387 65.387 63.917 1.470 19459 9050 1 14 . 1 1 62 62 SER H H 62 8.494 8.494 8.405 0.089 19459 9051 1 14 . 1 1 63 63 CYS N N 63 122.858 122.858 123.774 -0.916 19459 9052 1 14 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.498 -0.430 19459 9053 1 14 . 1 1 63 63 CYS C C 63 176.076 176.076 174.062 2.014 19459 9054 1 14 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.721 2.546 19459 9055 1 14 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.345 12.424 19459 9056 1 14 . 1 1 63 63 CYS H H 63 8.359 8.359 8.738 -0.379 19459 9057 1 14 . 1 1 64 64 ARG N N 64 118.145 118.145 122.319 -4.174 19459 9058 1 14 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.747 -0.581 19459 9059 1 14 . 1 1 64 64 ARG C C 64 173.077 173.077 173.942 -0.865 19459 9060 1 14 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.914 1.065 19459 9061 1 14 . 1 1 64 64 ARG CB C 64 30.459 30.459 33.441 -2.982 19459 9062 1 14 . 1 1 64 64 ARG H H 64 8.496 8.496 8.514 -0.018 19459 9063 1 14 . 1 1 65 65 ASN N N 65 122.302 122.302 118.517 3.785 19459 9064 1 14 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.198 -0.464 19459 9065 1 14 . 1 1 65 65 ASN C C 65 175.117 175.117 174.088 1.029 19459 9066 1 14 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.401 0.710 19459 9067 1 14 . 1 1 65 65 ASN CB C 65 38.367 38.367 38.661 -0.294 19459 9068 1 14 . 1 1 65 65 ASN H H 65 8.691 8.691 8.736 -0.045 19459 9069 1 14 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.290 0.193 19459 9070 1 14 . 1 1 67 67 PRO C C 67 172.228 172.228 176.246 -4.018 19459 9071 1 14 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.596 -1.930 19459 9072 1 14 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.868 0.619 19459 9073 1 14 . 1 1 68 68 ASP N N 68 118.184 118.184 122.115 -3.931 19459 9074 1 14 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.322 0.320 19459 9075 1 14 . 1 1 68 68 ASP C C 68 173.951 173.951 174.672 -0.721 19459 9076 1 14 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.549 -1.370 19459 9077 1 14 . 1 1 68 68 ASP CB C 68 40.499 40.499 41.384 -0.885 19459 9078 1 14 . 1 1 68 68 ASP H H 68 8.201 8.201 7.763 0.438 19459 9079 1 14 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.462 -0.226 19459 9080 1 14 . 1 1 69 69 PRO C C 69 172.350 172.350 178.140 -5.790 19459 9081 1 14 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.580 -0.669 19459 9082 1 14 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.550 -1.315 19459 9083 1 14 . 1 1 70 70 VAL N N 70 125.745 125.745 121.682 4.063 19459 9084 1 14 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.725 -0.066 19459 9085 1 14 . 1 1 70 70 VAL C C 70 171.231 171.231 177.039 -5.808 19459 9086 1 14 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.790 -0.126 19459 9087 1 14 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.649 -0.798 19459 9088 1 14 . 1 1 70 70 VAL H H 70 8.251 8.251 8.726 -0.475 19459 9089 1 14 . 1 1 71 71 ASN N N 71 119.702 119.702 115.636 4.066 19459 9090 1 14 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.771 -0.770 19459 9091 1 14 . 1 1 71 71 ASN C C 71 176.167 176.167 175.283 0.884 19459 9092 1 14 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.777 2.743 19459 9093 1 14 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.604 -2.362 19459 9094 1 14 . 1 1 71 71 ASN H H 71 8.994 8.994 8.017 0.977 19459 9095 1 14 . 1 1 72 72 GLY N N 72 104.254 104.254 108.320 -4.066 19459 9096 1 14 . 1 1 72 72 GLY C C 72 177.732 177.732 174.697 3.035 19459 9097 1 14 . 1 1 72 72 GLY CA C 72 47.098 47.098 46.136 0.962 19459 9098 1 14 . 1 1 72 72 GLY H H 72 7.637 7.637 8.327 -0.690 19459 9099 1 14 . 1 1 73 73 MET N N 73 116.529 116.529 117.695 -1.166 19459 9100 1 14 . 1 1 73 73 MET HA H 73 4.887 4.887 4.309 0.578 19459 9101 1 14 . 1 1 73 73 MET C C 73 175.128 175.128 175.117 0.011 19459 9102 1 14 . 1 1 73 73 MET CA C 73 54.890 54.890 54.893 -0.003 19459 9103 1 14 . 1 1 73 73 MET CB C 73 36.837 36.837 32.798 4.039 19459 9104 1 14 . 1 1 73 73 MET H H 73 8.819 8.819 7.682 1.137 19459 9105 1 14 . 1 1 74 74 VAL N N 74 122.511 122.511 120.574 1.937 19459 9106 1 14 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.379 0.224 19459 9107 1 14 . 1 1 74 74 VAL C C 74 176.573 176.573 174.921 1.652 19459 9108 1 14 . 1 1 74 74 VAL CA C 74 59.009 59.009 60.097 -1.088 19459 9109 1 14 . 1 1 74 74 VAL CB C 74 34.502 34.502 32.585 1.917 19459 9110 1 14 . 1 1 74 74 VAL H H 74 8.796 8.796 7.420 1.376 19459 9111 1 14 . 1 1 75 75 HIS N N 75 125.200 125.200 128.515 -3.315 19459 9112 1 14 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.733 -0.019 19459 9113 1 14 . 1 1 75 75 HIS C C 75 175.500 175.500 173.535 1.965 19459 9114 1 14 . 1 1 75 75 HIS CA C 75 53.685 53.685 55.224 -1.539 19459 9115 1 14 . 1 1 75 75 HIS CB C 75 29.008 29.008 31.675 -2.667 19459 9116 1 14 . 1 1 75 75 HIS H H 75 8.977 8.977 8.314 0.663 19459 9117 1 14 . 1 1 76 76 VAL N N 76 127.456 127.456 125.581 1.875 19459 9118 1 14 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.236 -0.064 19459 9119 1 14 . 1 1 76 76 VAL C C 76 173.257 173.257 175.273 -2.016 19459 9120 1 14 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.909 1.289 19459 9121 1 14 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.697 -1.357 19459 9122 1 14 . 1 1 76 76 VAL H H 76 8.926 8.926 8.633 0.293 19459 9123 1 14 . 1 1 77 77 ILE N N 77 126.756 126.756 129.617 -2.861 19459 9124 1 14 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.902 0.249 19459 9125 1 14 . 1 1 77 77 ILE C C 77 172.744 172.744 177.299 -4.555 19459 9126 1 14 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.917 -0.983 19459 9127 1 14 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.158 1.014 19459 9128 1 14 . 1 1 77 77 ILE H H 77 7.978 7.978 8.257 -0.279 19459 9129 1 14 . 1 1 78 78 LYS N N 78 123.427 123.427 119.043 4.384 19459 9130 1 14 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.393 0.184 19459 9131 1 14 . 1 1 78 78 LYS C C 78 172.800 172.800 177.073 -4.273 19459 9132 1 14 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.773 -0.390 19459 9133 1 14 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.664 0.188 19459 9134 1 14 . 1 1 78 78 LYS H H 78 9.415 9.415 8.264 1.151 19459 9135 1 14 . 1 1 79 79 GLY N N 79 108.777 108.777 107.029 1.748 19459 9136 1 14 . 1 1 79 79 GLY C C 79 176.221 176.221 174.000 2.221 19459 9137 1 14 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.124 -0.242 19459 9138 1 14 . 1 1 79 79 GLY H H 79 7.857 7.857 8.342 -0.485 19459 9139 1 14 . 1 1 80 80 ILE N N 80 109.131 109.131 117.195 -8.064 19459 9140 1 14 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.105 0.853 19459 9141 1 14 . 1 1 80 80 ILE C C 80 174.883 174.883 174.934 -0.051 19459 9142 1 14 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.721 -1.064 19459 9143 1 14 . 1 1 80 80 ILE CB C 80 38.711 38.711 37.325 1.386 19459 9144 1 14 . 1 1 80 80 ILE H H 80 8.076 8.076 8.212 -0.136 19459 9145 1 14 . 1 1 81 81 GLN N N 81 116.732 116.732 121.663 -4.931 19459 9146 1 14 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.518 0.148 19459 9147 1 14 . 1 1 81 81 GLN C C 81 172.989 172.989 173.946 -0.957 19459 9148 1 14 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.511 0.990 19459 9149 1 14 . 1 1 81 81 GLN CB C 81 30.674 30.674 31.791 -1.117 19459 9150 1 14 . 1 1 81 81 GLN H H 81 7.682 7.682 7.808 -0.126 19459 9151 1 14 . 1 1 82 82 PHE N N 82 119.773 119.773 121.619 -1.846 19459 9152 1 14 . 1 1 82 82 PHE HA H 82 3.880 3.880 3.969 -0.089 19459 9153 1 14 . 1 1 82 82 PHE C C 82 173.680 173.680 176.082 -2.402 19459 9154 1 14 . 1 1 82 82 PHE CA C 82 58.685 58.685 58.937 -0.252 19459 9155 1 14 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.051 1.068 19459 9156 1 14 . 1 1 82 82 PHE H H 82 8.615 8.615 8.727 -0.112 19459 9157 1 14 . 1 1 83 83 GLY N N 83 119.507 119.507 115.296 4.211 19459 9158 1 14 . 1 1 83 83 GLY C C 83 174.662 174.662 174.340 0.322 19459 9159 1 14 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.725 -0.234 19459 9160 1 14 . 1 1 83 83 GLY H H 83 9.086 9.086 8.477 0.609 19459 9161 1 14 . 1 1 84 84 SER N N 84 118.128 118.128 118.245 -0.117 19459 9162 1 14 . 1 1 84 84 SER HA H 84 4.415 4.415 4.537 -0.122 19459 9163 1 14 . 1 1 84 84 SER C C 84 177.247 177.247 173.494 3.753 19459 9164 1 14 . 1 1 84 84 SER CA C 84 60.111 60.111 59.015 1.096 19459 9165 1 14 . 1 1 84 84 SER CB C 84 64.281 64.281 64.505 -0.224 19459 9166 1 14 . 1 1 84 84 SER H H 84 8.573 8.573 7.772 0.801 19459 9167 1 14 . 1 1 85 85 GLN N N 85 119.913 119.913 123.435 -3.522 19459 9168 1 14 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.825 -0.006 19459 9169 1 14 . 1 1 85 85 GLN C C 85 172.795 172.795 175.069 -2.274 19459 9170 1 14 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.237 -0.072 19459 9171 1 14 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.256 0.488 19459 9172 1 14 . 1 1 85 85 GLN H H 85 8.211 8.211 8.594 -0.383 19459 9173 1 14 . 1 1 86 86 ILE N N 86 119.724 119.724 119.892 -0.168 19459 9174 1 14 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.207 -0.450 19459 9175 1 14 . 1 1 86 86 ILE C C 86 174.969 174.969 173.936 1.033 19459 9176 1 14 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.512 1.315 19459 9177 1 14 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.878 -1.084 19459 9178 1 14 . 1 1 86 86 ILE H H 86 9.215 9.215 9.173 0.042 19459 9179 1 14 . 1 1 87 87 LYS N N 87 117.135 117.135 120.025 -2.890 19459 9180 1 14 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.050 0.185 19459 9181 1 14 . 1 1 87 87 LYS C C 87 174.599 174.599 175.916 -1.317 19459 9182 1 14 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.572 -0.859 19459 9183 1 14 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.869 1.958 19459 9184 1 14 . 1 1 87 87 LYS H H 87 7.600 7.600 8.865 -1.265 19459 9185 1 14 . 1 1 88 88 TYR N N 88 119.004 119.004 121.541 -2.537 19459 9186 1 14 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.588 0.834 19459 9187 1 14 . 1 1 88 88 TYR C C 88 174.407 174.407 175.920 -1.513 19459 9188 1 14 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.800 -0.865 19459 9189 1 14 . 1 1 88 88 TYR CB C 88 43.959 43.959 39.416 4.543 19459 9190 1 14 . 1 1 88 88 TYR H H 88 8.601 8.601 9.356 -0.755 19459 9191 1 14 . 1 1 89 89 SER N N 89 113.228 113.228 115.788 -2.560 19459 9192 1 14 . 1 1 89 89 SER HA H 89 4.668 4.668 4.578 0.090 19459 9193 1 14 . 1 1 89 89 SER C C 89 177.136 177.136 174.361 2.775 19459 9194 1 14 . 1 1 89 89 SER CA C 89 57.291 57.291 58.659 -1.368 19459 9195 1 14 . 1 1 89 89 SER CB C 89 66.534 66.534 64.176 2.358 19459 9196 1 14 . 1 1 89 89 SER H H 89 9.007 9.007 8.028 0.979 19459 9197 1 14 . 1 1 90 90 CYS N N 90 116.009 116.009 124.348 -8.339 19459 9198 1 14 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.512 0.909 19459 9199 1 14 . 1 1 90 90 CYS C C 90 173.812 173.812 174.578 -0.766 19459 9200 1 14 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.234 -5.150 19459 9201 1 14 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.464 13.940 19459 9202 1 14 . 1 1 90 90 CYS H H 90 8.806 8.806 7.957 0.849 19459 9203 1 14 . 1 1 91 91 THR N N 91 120.813 120.813 114.881 5.932 19459 9204 1 14 . 1 1 91 91 THR HA H 91 3.994 3.994 4.353 -0.359 19459 9205 1 14 . 1 1 91 91 THR C C 91 176.445 176.445 175.085 1.360 19459 9206 1 14 . 1 1 91 91 THR CA C 91 63.440 63.440 61.355 2.085 19459 9207 1 14 . 1 1 91 91 THR CB C 91 69.608 69.608 70.073 -0.465 19459 9208 1 14 . 1 1 91 91 THR H H 91 8.737 8.737 6.728 2.009 19459 9209 1 14 . 1 1 92 92 LYS N N 92 124.963 124.963 122.167 2.796 19459 9210 1 14 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.156 -0.052 19459 9211 1 14 . 1 1 92 92 LYS C C 92 172.310 172.310 178.385 -6.075 19459 9212 1 14 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.689 0.198 19459 9213 1 14 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.595 -0.456 19459 9214 1 14 . 1 1 92 92 LYS H H 92 8.325 8.325 8.416 -0.091 19459 9215 1 14 . 1 1 93 93 GLY N N 93 113.608 113.608 107.878 5.730 19459 9216 1 14 . 1 1 93 93 GLY C C 93 175.127 175.127 173.145 1.982 19459 9217 1 14 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.358 0.353 19459 9218 1 14 . 1 1 93 93 GLY H H 93 8.827 8.827 8.201 0.626 19459 9219 1 14 . 1 1 94 94 TYR N N 94 119.900 119.900 120.456 -0.556 19459 9220 1 14 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.826 -0.184 19459 9221 1 14 . 1 1 94 94 TYR C C 94 174.548 174.548 173.261 1.287 19459 9222 1 14 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.069 1.089 19459 9223 1 14 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.798 0.396 19459 9224 1 14 . 1 1 94 94 TYR H H 94 8.281 8.281 7.658 0.623 19459 9225 1 14 . 1 1 95 95 ARG N N 95 122.431 122.431 119.330 3.101 19459 9226 1 14 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.079 0.449 19459 9227 1 14 . 1 1 95 95 ARG C C 95 175.179 175.179 173.610 1.569 19459 9228 1 14 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.212 0.341 19459 9229 1 14 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.976 -0.775 19459 9230 1 14 . 1 1 95 95 ARG H H 95 9.608 9.608 8.179 1.429 19459 9231 1 14 . 1 1 96 96 LEU N N 96 125.652 125.652 123.412 2.240 19459 9232 1 14 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.879 -0.217 19459 9233 1 14 . 1 1 96 96 LEU C C 96 172.420 172.420 176.921 -4.501 19459 9234 1 14 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.027 2.476 19459 9235 1 14 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.663 -0.856 19459 9236 1 14 . 1 1 96 96 LEU H H 96 8.231 8.231 8.263 -0.032 19459 9237 1 14 . 1 1 97 97 ILE N N 97 131.597 131.597 124.783 6.814 19459 9238 1 14 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.951 0.289 19459 9239 1 14 . 1 1 97 97 ILE C C 97 174.158 174.158 176.810 -2.652 19459 9240 1 14 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.563 -1.394 19459 9241 1 14 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.656 0.147 19459 9242 1 14 . 1 1 97 97 ILE H H 97 9.661 9.661 8.275 1.386 19459 9243 1 14 . 1 1 98 98 GLY N N 98 116.731 116.731 106.172 10.559 19459 9244 1 14 . 1 1 98 98 GLY C C 98 176.923 176.923 173.794 3.129 19459 9245 1 14 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.927 -0.863 19459 9246 1 14 . 1 1 98 98 GLY H H 98 8.465 8.465 7.512 0.953 19459 9247 1 14 . 1 1 99 99 SER N N 99 116.632 116.632 117.681 -1.049 19459 9248 1 14 . 1 1 99 99 SER HA H 99 4.509 4.509 4.412 0.097 19459 9249 1 14 . 1 1 99 99 SER C C 99 175.013 175.013 174.788 0.225 19459 9250 1 14 . 1 1 99 99 SER CA C 99 58.328 58.328 59.057 -0.729 19459 9251 1 14 . 1 1 99 99 SER CB C 99 63.996 63.996 62.940 1.056 19459 9252 1 14 . 1 1 99 99 SER H H 99 8.759 8.759 8.558 0.201 19459 9253 1 14 . 1 1 100 100 SER N N 100 116.696 116.696 119.864 -3.168 19459 9254 1 14 . 1 1 100 100 SER HA H 100 4.447 4.447 4.409 0.038 19459 9255 1 14 . 1 1 100 100 SER C C 100 175.403 175.403 174.937 0.466 19459 9256 1 14 . 1 1 100 100 SER CA C 100 59.209 59.209 61.050 -1.841 19459 9257 1 14 . 1 1 100 100 SER CB C 100 64.035 64.035 63.570 0.465 19459 9258 1 14 . 1 1 100 100 SER H H 100 8.617 8.617 8.554 0.063 19459 9259 1 14 . 1 1 101 101 SER N N 101 115.247 115.247 114.486 0.761 19459 9260 1 14 . 1 1 101 101 SER HA H 101 5.346 5.346 5.312 0.034 19459 9261 1 14 . 1 1 101 101 SER C C 101 176.888 176.888 173.419 3.469 19459 9262 1 14 . 1 1 101 101 SER CA C 101 57.021 57.021 57.158 -0.137 19459 9263 1 14 . 1 1 101 101 SER CB C 101 66.391 66.391 66.045 0.346 19459 9264 1 14 . 1 1 101 101 SER H H 101 7.952 7.952 7.627 0.325 19459 9265 1 14 . 1 1 102 102 ALA N N 102 121.438 121.438 125.080 -3.642 19459 9266 1 14 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.261 -0.174 19459 9267 1 14 . 1 1 102 102 ALA C C 102 173.807 173.807 175.987 -2.180 19459 9268 1 14 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.299 1.524 19459 9269 1 14 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.679 1.392 19459 9270 1 14 . 1 1 102 102 ALA H H 102 8.286 8.286 9.135 -0.849 19459 9271 1 14 . 1 1 103 103 THR N N 103 118.007 118.007 118.976 -0.969 19459 9272 1 14 . 1 1 103 103 THR HA H 103 5.560 5.560 5.487 0.073 19459 9273 1 14 . 1 1 103 103 THR C C 103 176.159 176.159 173.778 2.381 19459 9274 1 14 . 1 1 103 103 THR CA C 103 61.342 61.342 61.347 -0.005 19459 9275 1 14 . 1 1 103 103 THR CB C 103 71.171 71.171 71.315 -0.144 19459 9276 1 14 . 1 1 103 103 THR H H 103 9.636 9.636 9.806 -0.170 19459 9277 1 14 . 1 1 104 104 CYS N N 104 127.602 127.602 128.902 -1.300 19459 9278 1 14 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.171 -0.805 19459 9279 1 14 . 1 1 104 104 CYS C C 104 174.892 174.892 174.217 0.675 19459 9280 1 14 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.209 -1.730 19459 9281 1 14 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.298 12.887 19459 9282 1 14 . 1 1 104 104 CYS H H 104 8.338 8.338 8.875 -0.537 19459 9283 1 14 . 1 1 105 105 ILE N N 105 126.775 126.775 125.135 1.640 19459 9284 1 14 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.093 -0.184 19459 9285 1 14 . 1 1 105 105 ILE C C 105 174.390 174.390 173.787 0.603 19459 9286 1 14 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.709 1.512 19459 9287 1 14 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.450 1.072 19459 9288 1 14 . 1 1 105 105 ILE H H 105 9.375 9.375 9.299 0.076 19459 9289 1 14 . 1 1 106 106 ILE N N 106 118.256 118.256 122.997 -4.741 19459 9290 1 14 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.102 -0.032 19459 9291 1 14 . 1 1 106 106 ILE C C 106 172.560 172.560 176.765 -4.205 19459 9292 1 14 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.000 1.889 19459 9293 1 14 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.422 3.263 19459 9294 1 14 . 1 1 106 106 ILE H H 106 8.041 8.041 8.311 -0.270 19459 9295 1 14 . 1 1 107 107 SER N N 107 120.167 120.167 124.509 -4.342 19459 9296 1 14 . 1 1 107 107 SER HA H 107 4.376 4.376 4.232 0.144 19459 9297 1 14 . 1 1 107 107 SER C C 107 174.594 174.594 175.063 -0.469 19459 9298 1 14 . 1 1 107 107 SER CA C 107 57.111 57.111 60.531 -3.420 19459 9299 1 14 . 1 1 107 107 SER CB C 107 63.835 63.835 64.016 -0.181 19459 9300 1 14 . 1 1 107 107 SER H H 107 8.013 8.013 8.805 -0.792 19459 9301 1 14 . 1 1 108 108 GLY N N 108 119.089 119.089 107.938 11.151 19459 9302 1 14 . 1 1 108 108 GLY C C 108 174.665 174.665 173.938 0.727 19459 9303 1 14 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.522 1.966 19459 9304 1 14 . 1 1 108 108 GLY H H 108 9.116 9.116 7.657 1.459 19459 9305 1 14 . 1 1 109 109 ASP N N 109 127.143 127.143 121.206 5.937 19459 9306 1 14 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.494 0.267 19459 9307 1 14 . 1 1 109 109 ASP C C 109 173.724 173.724 176.661 -2.937 19459 9308 1 14 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.775 -2.052 19459 9309 1 14 . 1 1 109 109 ASP CB C 109 41.232 41.232 40.428 0.804 19459 9310 1 14 . 1 1 109 109 ASP H H 109 8.845 8.845 8.466 0.379 19459 9311 1 14 . 1 1 110 110 THR N N 110 115.044 115.044 111.012 4.032 19459 9312 1 14 . 1 1 110 110 THR HA H 110 4.663 4.663 4.491 0.172 19459 9313 1 14 . 1 1 110 110 THR C C 110 175.636 175.636 172.460 3.176 19459 9314 1 14 . 1 1 110 110 THR CA C 110 58.612 58.612 60.074 -1.462 19459 9315 1 14 . 1 1 110 110 THR CB C 110 71.146 71.146 70.415 0.731 19459 9316 1 14 . 1 1 110 110 THR H H 110 8.134 8.134 7.289 0.845 19459 9317 1 14 . 1 1 111 111 VAL N N 111 115.728 115.728 118.574 -2.846 19459 9318 1 14 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.784 0.531 19459 9319 1 14 . 1 1 111 111 VAL C C 111 174.752 174.752 174.572 0.180 19459 9320 1 14 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.380 -1.739 19459 9321 1 14 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.765 1.059 19459 9322 1 14 . 1 1 111 111 VAL H H 111 8.310 8.310 8.314 -0.004 19459 9323 1 14 . 1 1 112 112 ILE N N 112 117.116 117.116 118.993 -1.877 19459 9324 1 14 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.698 -0.192 19459 9325 1 14 . 1 1 112 112 ILE C C 112 174.637 174.637 174.380 0.257 19459 9326 1 14 . 1 1 112 112 ILE CA C 112 59.495 59.495 59.000 0.495 19459 9327 1 14 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.817 1.374 19459 9328 1 14 . 1 1 112 112 ILE H H 112 8.945 8.945 8.655 0.290 19459 9329 1 14 . 1 1 113 113 TRP N N 113 121.755 121.755 121.327 0.428 19459 9330 1 14 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.207 -0.100 19459 9331 1 14 . 1 1 113 113 TRP C C 113 170.413 170.413 177.036 -6.623 19459 9332 1 14 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.301 0.076 19459 9333 1 14 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.362 -1.066 19459 9334 1 14 . 1 1 113 113 TRP H H 113 7.567 7.567 8.658 -1.091 19459 9335 1 14 . 1 1 114 114 ASP N N 114 123.286 123.286 119.559 3.727 19459 9336 1 14 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.469 -0.262 19459 9337 1 14 . 1 1 114 114 ASP C C 114 174.083 174.083 176.426 -2.343 19459 9338 1 14 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.791 0.610 19459 9339 1 14 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.123 -0.974 19459 9340 1 14 . 1 1 114 114 ASP H H 114 9.451 9.451 8.612 0.839 19459 9341 1 14 . 1 1 115 115 GLN N N 115 116.139 116.139 118.886 -2.747 19459 9342 1 14 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.108 0.637 19459 9343 1 14 . 1 1 115 115 GLN C C 115 173.639 173.639 176.415 -2.776 19459 9344 1 14 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.755 -3.572 19459 9345 1 14 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.933 3.390 19459 9346 1 14 . 1 1 115 115 GLN H H 115 7.305 7.305 7.805 -0.500 19459 9347 1 14 . 1 1 116 116 GLU N N 116 120.881 120.881 127.179 -6.298 19459 9348 1 14 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.197 0.133 19459 9349 1 14 . 1 1 116 116 GLU C C 116 173.578 173.578 176.935 -3.357 19459 9350 1 14 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.164 -3.007 19459 9351 1 14 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.312 -0.097 19459 9352 1 14 . 1 1 116 116 GLU H H 116 8.615 8.615 8.727 -0.112 19459 9353 1 14 . 1 1 117 117 THR N N 117 119.889 119.889 109.518 10.371 19459 9354 1 14 . 1 1 117 117 THR HA H 117 3.609 3.609 4.286 -0.677 19459 9355 1 14 . 1 1 117 117 THR C C 117 176.699 176.699 171.497 5.202 19459 9356 1 14 . 1 1 117 117 THR CA C 117 61.757 61.757 60.724 1.033 19459 9357 1 14 . 1 1 117 117 THR CB C 117 69.799 69.799 69.748 0.051 19459 9358 1 14 . 1 1 117 117 THR H H 117 8.075 8.075 7.436 0.639 19459 9359 1 14 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.543 -0.011 19459 9360 1 14 . 1 1 118 118 PRO C C 118 175.300 175.300 175.597 -0.297 19459 9361 1 14 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.409 -0.049 19459 9362 1 14 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.664 1.224 19459 9363 1 14 . 1 1 119 119 ILE N N 119 114.729 114.729 124.249 -9.520 19459 9364 1 14 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.307 -0.020 19459 9365 1 14 . 1 1 119 119 ILE C C 119 174.748 174.748 174.953 -0.205 19459 9366 1 14 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.197 -0.955 19459 9367 1 14 . 1 1 119 119 ILE CB C 119 41.184 41.184 40.431 0.753 19459 9368 1 14 . 1 1 119 119 ILE H H 119 7.874 7.874 8.182 -0.308 19459 9369 1 14 . 1 1 120 120 CYS N N 120 123.444 123.444 128.280 -4.836 19459 9370 1 14 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.920 0.630 19459 9371 1 14 . 1 1 120 120 CYS C C 120 175.583 175.583 175.539 0.044 19459 9372 1 14 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.752 -5.058 19459 9373 1 14 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.649 13.801 19459 9374 1 14 . 1 1 120 120 CYS H H 120 8.583 8.583 8.963 -0.380 19459 9375 1 14 . 1 1 121 121 ASP N N 121 124.459 124.459 126.158 -1.699 19459 9376 1 14 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.472 0.835 19459 9377 1 14 . 1 1 121 121 ASP C C 121 174.495 174.495 176.446 -1.951 19459 9378 1 14 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.041 -2.824 19459 9379 1 14 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.397 3.006 19459 9380 1 14 . 1 1 121 121 ASP H H 121 9.309 9.309 9.047 0.262 19459 9381 1 15 . 1 1 2 2 CYS N N 2 117.967 117.967 119.243 -1.276 19459 9382 1 15 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.389 0.138 19459 9383 1 15 . 1 1 2 2 CYS C C 2 174.023 174.023 175.036 -1.013 19459 9384 1 15 . 1 1 2 2 CYS CA C 2 58.972 58.972 61.006 -2.034 19459 9385 1 15 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.605 17.454 19459 9386 1 15 . 1 1 2 2 CYS H H 2 9.327 9.327 8.239 1.088 19459 9387 1 15 . 1 1 3 3 ASN N N 3 119.722 119.722 113.835 5.887 19459 9388 1 15 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.447 0.802 19459 9389 1 15 . 1 1 3 3 ASN C C 3 175.027 175.027 174.179 0.848 19459 9390 1 15 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.613 -1.100 19459 9391 1 15 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.451 2.192 19459 9392 1 15 . 1 1 3 3 ASN H H 3 8.686 8.686 8.342 0.344 19459 9393 1 15 . 1 1 4 4 ALA N N 4 122.403 122.403 118.320 4.083 19459 9394 1 15 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.703 -0.274 19459 9395 1 15 . 1 1 4 4 ALA C C 4 173.517 173.517 175.729 -2.212 19459 9396 1 15 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.212 -0.399 19459 9397 1 15 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.172 -1.185 19459 9398 1 15 . 1 1 4 4 ALA H H 4 8.401 8.401 8.185 0.216 19459 9399 1 15 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.743 -0.835 19459 9400 1 15 . 1 1 5 5 PRO C C 5 172.806 172.806 176.812 -4.006 19459 9401 1 15 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.903 -1.452 19459 9402 1 15 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.117 -0.565 19459 9403 1 15 . 1 1 6 6 GLU N N 6 121.296 121.296 114.779 6.517 19459 9404 1 15 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.435 -0.244 19459 9405 1 15 . 1 1 6 6 GLU C C 6 172.835 172.835 174.661 -1.826 19459 9406 1 15 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.804 0.371 19459 9407 1 15 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.792 0.172 19459 9408 1 15 . 1 1 6 6 GLU H H 6 8.443 8.443 8.219 0.224 19459 9409 1 15 . 1 1 7 7 TRP N N 7 124.746 124.746 123.333 1.413 19459 9410 1 15 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.769 -0.837 19459 9411 1 15 . 1 1 7 7 TRP C C 7 174.236 174.236 174.976 -0.740 19459 9412 1 15 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.595 2.317 19459 9413 1 15 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.800 -0.767 19459 9414 1 15 . 1 1 7 7 TRP H H 7 8.674 8.674 8.514 0.160 19459 9415 1 15 . 1 1 8 8 LEU N N 8 125.782 125.782 131.347 -5.565 19459 9416 1 15 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.581 -0.025 19459 9417 1 15 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.163 -0.198 19459 9418 1 15 . 1 1 8 8 LEU CB C 8 42.893 42.893 44.570 -1.677 19459 9419 1 15 . 1 1 8 8 LEU H H 8 7.922 7.922 8.030 -0.108 19459 9420 1 15 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.508 0.090 19459 9421 1 15 . 1 1 9 9 PRO C C 9 172.961 172.961 177.207 -4.246 19459 9422 1 15 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.674 -1.134 19459 9423 1 15 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.252 0.185 19459 9424 1 15 . 1 1 10 10 PHE N N 10 106.863 106.863 115.839 -8.976 19459 9425 1 15 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.454 -0.845 19459 9426 1 15 . 1 1 10 10 PHE C C 10 175.535 175.535 175.197 0.338 19459 9427 1 15 . 1 1 10 10 PHE CA C 10 53.857 53.857 59.233 -5.376 19459 9428 1 15 . 1 1 10 10 PHE CB C 10 40.775 40.775 38.806 1.970 19459 9429 1 15 . 1 1 10 10 PHE H H 10 5.588 5.588 7.574 -1.986 19459 9430 1 15 . 1 1 11 11 ALA N N 11 121.214 121.214 117.430 3.784 19459 9431 1 15 . 1 1 11 11 ALA HA H 11 5.143 5.143 4.834 0.309 19459 9432 1 15 . 1 1 11 11 ALA C C 11 175.918 175.918 175.769 0.149 19459 9433 1 15 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.813 1.055 19459 9434 1 15 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.489 3.241 19459 9435 1 15 . 1 1 11 11 ALA H H 11 6.349 6.349 7.270 -0.921 19459 9436 1 15 . 1 1 12 12 ARG N N 12 117.160 117.160 121.455 -4.295 19459 9437 1 15 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.701 -0.004 19459 9438 1 15 . 1 1 12 12 ARG C C 12 178.499 178.499 173.602 4.897 19459 9439 1 15 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.298 0.567 19459 9440 1 15 . 1 1 12 12 ARG H H 12 9.219 9.219 8.449 0.770 19459 9441 1 15 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.461 -0.792 19459 9442 1 15 . 1 1 13 13 PRO C C 13 171.555 171.555 177.124 -5.569 19459 9443 1 15 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.401 -1.020 19459 9444 1 15 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.989 -0.442 19459 9445 1 15 . 1 1 14 14 THR N N 14 112.823 112.823 113.152 -0.329 19459 9446 1 15 . 1 1 14 14 THR HA H 14 3.905 3.905 4.182 -0.277 19459 9447 1 15 . 1 1 14 14 THR C C 14 174.364 174.364 175.586 -1.222 19459 9448 1 15 . 1 1 14 14 THR CA C 14 63.180 63.180 63.788 -0.608 19459 9449 1 15 . 1 1 14 14 THR CB C 14 68.154 68.154 69.126 -0.972 19459 9450 1 15 . 1 1 14 14 THR H H 14 8.062 8.062 8.209 -0.147 19459 9451 1 15 . 1 1 15 15 GLN N N 15 119.736 119.736 118.311 1.425 19459 9452 1 15 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.407 0.094 19459 9453 1 15 . 1 1 15 15 GLN C C 15 174.815 174.815 176.956 -2.141 19459 9454 1 15 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.525 -3.158 19459 9455 1 15 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.491 2.625 19459 9456 1 15 . 1 1 15 15 GLN H H 15 7.758 7.758 7.976 -0.218 19459 9457 1 15 . 1 1 16 16 LEU N N 16 124.583 124.583 122.005 2.578 19459 9458 1 15 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.016 0.345 19459 9459 1 15 . 1 1 16 16 LEU C C 16 172.167 172.167 177.992 -5.825 19459 9460 1 15 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.872 -2.575 19459 9461 1 15 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.580 0.454 19459 9462 1 15 . 1 1 16 16 LEU H H 16 8.458 8.458 7.972 0.486 19459 9463 1 15 . 1 1 17 17 THR N N 17 116.730 116.730 112.756 3.974 19459 9464 1 15 . 1 1 17 17 THR HA H 17 4.633 4.633 3.749 0.884 19459 9465 1 15 . 1 1 17 17 THR C C 17 175.703 175.703 175.120 0.583 19459 9466 1 15 . 1 1 17 17 THR CA C 17 60.358 60.358 65.537 -5.179 19459 9467 1 15 . 1 1 17 17 THR CB C 17 70.110 70.110 68.470 1.640 19459 9468 1 15 . 1 1 17 17 THR H H 17 8.325 8.325 7.927 0.398 19459 9469 1 15 . 1 1 18 18 ASP N N 18 122.839 122.839 116.997 5.842 19459 9470 1 15 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.772 -0.030 19459 9471 1 15 . 1 1 18 18 ASP C C 18 173.642 173.642 175.796 -2.154 19459 9472 1 15 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.397 -1.184 19459 9473 1 15 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.782 -1.860 19459 9474 1 15 . 1 1 18 18 ASP H H 18 8.487 8.487 7.725 0.762 19459 9475 1 15 . 1 1 19 19 GLU N N 19 120.523 120.523 119.198 1.325 19459 9476 1 15 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.269 -0.196 19459 9477 1 15 . 1 1 19 19 GLU C C 19 174.249 174.249 177.909 -3.660 19459 9478 1 15 . 1 1 19 19 GLU CA C 19 56.150 56.150 56.549 -0.399 19459 9479 1 15 . 1 1 19 19 GLU CB C 19 29.343 29.343 31.084 -1.741 19459 9480 1 15 . 1 1 19 19 GLU H H 19 7.931 7.931 7.489 0.442 19459 9481 1 15 . 1 1 20 20 PHE N N 20 118.500 118.500 113.754 4.746 19459 9482 1 15 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.218 0.528 19459 9483 1 15 . 1 1 20 20 PHE C C 20 174.885 174.885 174.164 0.721 19459 9484 1 15 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.413 -3.899 19459 9485 1 15 . 1 1 20 20 PHE CB C 20 40.483 40.483 37.899 2.584 19459 9486 1 15 . 1 1 20 20 PHE H H 20 8.279 8.279 7.745 0.534 19459 9487 1 15 . 1 1 21 21 GLU N N 21 117.080 117.080 120.200 -3.120 19459 9488 1 15 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.712 0.298 19459 9489 1 15 . 1 1 21 21 GLU C C 21 174.900 174.900 174.939 -0.039 19459 9490 1 15 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.396 -1.123 19459 9491 1 15 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.094 0.279 19459 9492 1 15 . 1 1 21 21 GLU H H 21 7.022 7.022 7.587 -0.565 19459 9493 1 15 . 1 1 22 22 PHE N N 22 119.655 119.655 122.403 -2.748 19459 9494 1 15 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.953 0.016 19459 9495 1 15 . 1 1 22 22 PHE C C 22 176.708 176.708 173.502 3.206 19459 9496 1 15 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.119 -0.343 19459 9497 1 15 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.466 -0.720 19459 9498 1 15 . 1 1 22 22 PHE H H 22 8.974 8.974 8.413 0.561 19459 9499 1 15 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.484 0.104 19459 9500 1 15 . 1 1 23 23 PRO C C 23 171.163 171.163 176.631 -5.468 19459 9501 1 15 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.517 -0.100 19459 9502 1 15 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.305 0.350 19459 9503 1 15 . 1 1 24 24 ILE N N 24 123.238 123.238 120.805 2.433 19459 9504 1 15 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.759 -0.349 19459 9505 1 15 . 1 1 24 24 ILE C C 24 172.283 172.283 177.457 -5.174 19459 9506 1 15 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.466 1.580 19459 9507 1 15 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.752 -0.303 19459 9508 1 15 . 1 1 24 24 ILE H H 24 8.199 8.199 8.445 -0.246 19459 9509 1 15 . 1 1 25 25 GLY N N 25 115.962 115.962 115.023 0.939 19459 9510 1 15 . 1 1 25 25 GLY C C 25 174.927 174.927 174.182 0.745 19459 9511 1 15 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.158 -0.735 19459 9512 1 15 . 1 1 25 25 GLY H H 25 9.061 9.061 8.643 0.418 19459 9513 1 15 . 1 1 26 26 THR N N 26 117.152 117.152 116.760 0.392 19459 9514 1 15 . 1 1 26 26 THR HA H 26 4.081 4.081 4.787 -0.706 19459 9515 1 15 . 1 1 26 26 THR C C 26 176.723 176.723 173.606 3.117 19459 9516 1 15 . 1 1 26 26 THR CA C 26 65.711 65.711 61.500 4.211 19459 9517 1 15 . 1 1 26 26 THR CB C 26 70.084 70.084 71.082 -0.998 19459 9518 1 15 . 1 1 26 26 THR H H 26 7.704 7.704 7.394 0.310 19459 9519 1 15 . 1 1 27 27 TYR N N 27 125.094 125.094 126.247 -1.153 19459 9520 1 15 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.910 0.882 19459 9521 1 15 . 1 1 27 27 TYR C C 27 173.835 173.835 175.895 -2.060 19459 9522 1 15 . 1 1 27 27 TYR CA C 27 55.863 55.863 58.879 -3.016 19459 9523 1 15 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.252 1.624 19459 9524 1 15 . 1 1 27 27 TYR H H 27 8.542 8.542 8.880 -0.338 19459 9525 1 15 . 1 1 28 28 LEU N N 28 120.714 120.714 122.667 -1.953 19459 9526 1 15 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.715 0.069 19459 9527 1 15 . 1 1 28 28 LEU C C 28 172.808 172.808 175.950 -3.142 19459 9528 1 15 . 1 1 28 28 LEU CA C 28 53.183 53.183 52.907 0.276 19459 9529 1 15 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.927 0.011 19459 9530 1 15 . 1 1 28 28 LEU H H 28 9.000 9.000 8.384 0.616 19459 9531 1 15 . 1 1 29 29 ASN N N 29 121.617 121.617 120.037 1.580 19459 9532 1 15 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.752 0.148 19459 9533 1 15 . 1 1 29 29 ASN C C 29 174.783 174.783 173.767 1.016 19459 9534 1 15 . 1 1 29 29 ASN CA C 29 54.232 54.232 53.031 1.201 19459 9535 1 15 . 1 1 29 29 ASN CB C 29 39.191 39.191 39.131 0.060 19459 9536 1 15 . 1 1 29 29 ASN H H 29 8.544 8.544 8.933 -0.389 19459 9537 1 15 . 1 1 30 30 TYR N N 30 126.738 126.738 124.206 2.532 19459 9538 1 15 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.600 0.086 19459 9539 1 15 . 1 1 30 30 TYR C C 30 174.911 174.911 174.921 -0.010 19459 9540 1 15 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.053 -0.152 19459 9541 1 15 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.845 3.997 19459 9542 1 15 . 1 1 30 30 TYR H H 30 9.324 9.324 7.952 1.372 19459 9543 1 15 . 1 1 31 31 GLU N N 31 114.116 114.116 122.240 -8.124 19459 9544 1 15 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.607 0.103 19459 9545 1 15 . 1 1 31 31 GLU C C 31 173.694 173.694 174.480 -0.786 19459 9546 1 15 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.831 -1.712 19459 9547 1 15 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.184 -0.558 19459 9548 1 15 . 1 1 31 31 GLU H H 31 8.553 8.553 8.352 0.201 19459 9549 1 15 . 1 1 32 32 CYS N N 32 121.086 121.086 117.627 3.459 19459 9550 1 15 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.170 -0.119 19459 9551 1 15 . 1 1 32 32 CYS C C 32 173.553 173.553 175.051 -1.498 19459 9552 1 15 . 1 1 32 32 CYS CA C 32 54.480 54.480 57.618 -3.138 19459 9553 1 15 . 1 1 32 32 CYS CB C 32 37.487 37.487 29.373 8.114 19459 9554 1 15 . 1 1 32 32 CYS H H 32 9.784 9.784 8.511 1.272 19459 9555 1 15 . 1 1 33 33 ARG N N 33 123.418 123.418 123.232 0.186 19459 9556 1 15 . 1 1 33 33 ARG C C 33 176.822 176.822 174.893 1.929 19459 9557 1 15 . 1 1 33 33 ARG CA C 33 56.311 56.311 53.710 2.601 19459 9558 1 15 . 1 1 33 33 ARG CB C 33 29.343 29.343 30.237 -0.894 19459 9559 1 15 . 1 1 33 33 ARG H H 33 7.898 7.898 8.669 -0.771 19459 9560 1 15 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.301 0.079 19459 9561 1 15 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.222 0.833 19459 9562 1 15 . 1 1 34 34 PRO CB C 34 31.335 31.335 32.447 -1.112 19459 9563 1 15 . 1 1 35 35 GLY N N 35 111.039 111.039 108.825 2.214 19459 9564 1 15 . 1 1 35 35 GLY C C 35 177.546 177.546 173.248 4.298 19459 9565 1 15 . 1 1 35 35 GLY CA C 35 43.899 43.899 45.101 -1.202 19459 9566 1 15 . 1 1 35 35 GLY H H 35 8.378 8.378 8.475 -0.097 19459 9567 1 15 . 1 1 36 36 TYR N N 36 116.682 116.682 118.114 -1.432 19459 9568 1 15 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.511 -0.490 19459 9569 1 15 . 1 1 36 36 TYR C C 36 174.005 174.005 176.200 -2.195 19459 9570 1 15 . 1 1 36 36 TYR CA C 36 56.495 56.495 55.260 1.235 19459 9571 1 15 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.458 1.523 19459 9572 1 15 . 1 1 36 36 TYR H H 36 8.175 8.175 7.469 0.706 19459 9573 1 15 . 1 1 37 37 SER N N 37 115.855 115.855 119.346 -3.491 19459 9574 1 15 . 1 1 37 37 SER HA H 37 4.819 4.819 4.289 0.530 19459 9575 1 15 . 1 1 37 37 SER C C 37 175.442 175.442 175.191 0.251 19459 9576 1 15 . 1 1 37 37 SER CA C 37 56.534 56.534 61.064 -4.530 19459 9577 1 15 . 1 1 37 37 SER CB C 37 65.642 65.642 63.753 1.889 19459 9578 1 15 . 1 1 37 37 SER H H 37 9.711 9.711 8.742 0.969 19459 9579 1 15 . 1 1 38 38 GLY N N 38 113.435 113.435 109.529 3.906 19459 9580 1 15 . 1 1 38 38 GLY C C 38 175.876 175.876 173.454 2.422 19459 9581 1 15 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.581 0.687 19459 9582 1 15 . 1 1 38 38 GLY H H 38 8.288 8.288 8.085 0.203 19459 9583 1 15 . 1 1 39 39 ARG N N 39 124.199 124.199 119.201 4.998 19459 9584 1 15 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.632 0.107 19459 9585 1 15 . 1 1 39 39 ARG C C 39 175.413 175.413 174.501 0.912 19459 9586 1 15 . 1 1 39 39 ARG CA C 39 54.740 54.740 51.970 2.770 19459 9587 1 15 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.001 -0.367 19459 9588 1 15 . 1 1 39 39 ARG H H 39 8.350 8.350 8.230 0.120 19459 9589 1 15 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.322 0.336 19459 9590 1 15 . 1 1 40 40 PRO C C 40 173.702 173.702 175.373 -1.671 19459 9591 1 15 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.166 1.304 19459 9592 1 15 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.821 0.367 19459 9593 1 15 . 1 1 41 41 PHE N N 41 118.388 118.388 120.055 -1.667 19459 9594 1 15 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.692 0.471 19459 9595 1 15 . 1 1 41 41 PHE C C 41 176.886 176.886 175.240 1.646 19459 9596 1 15 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.274 -0.708 19459 9597 1 15 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.221 -0.957 19459 9598 1 15 . 1 1 41 41 PHE H H 41 8.017 8.017 8.054 -0.037 19459 9599 1 15 . 1 1 42 42 SER N N 42 114.056 114.056 116.825 -2.769 19459 9600 1 15 . 1 1 42 42 SER HA H 42 5.771 5.771 5.289 0.482 19459 9601 1 15 . 1 1 42 42 SER C C 42 174.978 174.978 174.119 0.859 19459 9602 1 15 . 1 1 42 42 SER CA C 42 56.668 56.668 57.839 -1.171 19459 9603 1 15 . 1 1 42 42 SER CB C 42 66.152 66.152 63.974 2.178 19459 9604 1 15 . 1 1 42 42 SER H H 42 8.540 8.540 8.460 0.080 19459 9605 1 15 . 1 1 43 43 ILE N N 43 115.669 115.669 116.934 -1.265 19459 9606 1 15 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.980 0.085 19459 9607 1 15 . 1 1 43 43 ILE C C 43 174.535 174.535 174.942 -0.407 19459 9608 1 15 . 1 1 43 43 ILE CA C 43 60.044 60.044 59.429 0.615 19459 9609 1 15 . 1 1 43 43 ILE CB C 43 40.355 40.355 41.176 -0.821 19459 9610 1 15 . 1 1 43 43 ILE H H 43 8.637 8.637 7.674 0.963 19459 9611 1 15 . 1 1 44 44 ILE N N 44 120.215 120.215 121.651 -1.436 19459 9612 1 15 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.953 0.333 19459 9613 1 15 . 1 1 44 44 ILE C C 44 174.033 174.033 177.189 -3.156 19459 9614 1 15 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.342 0.314 19459 9615 1 15 . 1 1 44 44 ILE CB C 44 42.330 42.330 41.809 0.521 19459 9616 1 15 . 1 1 44 44 ILE H H 44 8.687 8.687 7.988 0.699 19459 9617 1 15 . 1 1 45 45 CYS N N 45 126.257 126.257 125.261 0.996 19459 9618 1 15 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.309 -0.557 19459 9619 1 15 . 1 1 45 45 CYS C C 45 174.946 174.946 176.628 -1.682 19459 9620 1 15 . 1 1 45 45 CYS CA C 45 55.066 55.066 58.886 -3.820 19459 9621 1 15 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.950 14.661 19459 9622 1 15 . 1 1 45 45 CYS H H 45 7.993 7.993 8.792 -0.799 19459 9623 1 15 . 1 1 46 46 LEU N N 46 132.514 132.514 121.664 10.850 19459 9624 1 15 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.972 0.444 19459 9625 1 15 . 1 1 46 46 LEU C C 46 172.195 172.195 177.203 -5.008 19459 9626 1 15 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.211 -2.867 19459 9627 1 15 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.902 2.302 19459 9628 1 15 . 1 1 46 46 LEU H H 46 8.826 8.826 8.110 0.716 19459 9629 1 15 . 1 1 47 47 LYS N N 47 115.254 115.254 118.249 -2.995 19459 9630 1 15 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.341 -0.353 19459 9631 1 15 . 1 1 47 47 LYS C C 47 173.781 173.781 175.698 -1.917 19459 9632 1 15 . 1 1 47 47 LYS CA C 47 57.983 57.983 54.658 3.325 19459 9633 1 15 . 1 1 47 47 LYS CB C 47 31.208 31.208 33.044 -1.835 19459 9634 1 15 . 1 1 47 47 LYS H H 47 7.949 7.949 7.830 0.119 19459 9635 1 15 . 1 1 48 48 ASN N N 48 115.283 115.283 126.494 -11.211 19459 9636 1 15 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.373 0.163 19459 9637 1 15 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.160 -0.620 19459 9638 1 15 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.633 -1.261 19459 9639 1 15 . 1 1 48 48 ASN H H 48 8.432 8.432 9.444 -1.012 19459 9640 1 15 . 1 1 49 49 SER N N 49 110.595 110.595 104.791 5.804 19459 9641 1 15 . 1 1 49 49 SER HA H 49 3.969 3.969 4.021 -0.052 19459 9642 1 15 . 1 1 49 49 SER CA C 49 59.790 59.790 60.055 -0.265 19459 9643 1 15 . 1 1 49 49 SER CB C 49 60.870 60.870 61.654 -0.784 19459 9644 1 15 . 1 1 49 49 SER H H 49 8.457 8.457 8.429 0.028 19459 9645 1 15 . 1 1 50 50 VAL N N 50 117.680 117.680 118.292 -0.612 19459 9646 1 15 . 1 1 50 50 VAL HA H 50 4.333 4.333 4.193 0.140 19459 9647 1 15 . 1 1 50 50 VAL C C 50 175.347 175.347 175.614 -0.267 19459 9648 1 15 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.373 -3.489 19459 9649 1 15 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.747 1.090 19459 9650 1 15 . 1 1 50 50 VAL H H 50 6.840 6.840 7.643 -0.803 19459 9651 1 15 . 1 1 51 51 TRP N N 51 123.510 123.510 115.854 7.656 19459 9652 1 15 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.329 -0.007 19459 9653 1 15 . 1 1 51 51 TRP C C 51 170.736 170.736 176.897 -6.161 19459 9654 1 15 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.820 -0.883 19459 9655 1 15 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.838 -2.047 19459 9656 1 15 . 1 1 51 51 TRP H H 51 8.310 8.310 7.793 0.517 19459 9657 1 15 . 1 1 52 52 THR N N 52 115.962 115.962 112.519 3.443 19459 9658 1 15 . 1 1 52 52 THR HA H 52 4.656 4.656 4.106 0.550 19459 9659 1 15 . 1 1 52 52 THR C C 52 175.780 175.780 175.638 0.142 19459 9660 1 15 . 1 1 52 52 THR CA C 52 61.376 61.376 64.257 -2.881 19459 9661 1 15 . 1 1 52 52 THR CB C 52 70.723 70.723 69.122 1.601 19459 9662 1 15 . 1 1 52 52 THR H H 52 9.026 9.026 8.431 0.595 19459 9663 1 15 . 1 1 53 53 GLY N N 53 108.521 108.521 108.217 0.304 19459 9664 1 15 . 1 1 53 53 GLY C C 53 174.881 174.881 173.220 1.661 19459 9665 1 15 . 1 1 53 53 GLY CA C 53 45.344 45.344 45.059 0.284 19459 9666 1 15 . 1 1 53 53 GLY H H 53 8.292 8.292 7.832 0.460 19459 9667 1 15 . 1 1 54 54 ALA N N 54 121.857 121.857 122.674 -0.817 19459 9668 1 15 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.917 0.236 19459 9669 1 15 . 1 1 54 54 ALA C C 54 172.786 172.786 176.800 -4.014 19459 9670 1 15 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.859 -1.162 19459 9671 1 15 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.592 1.122 19459 9672 1 15 . 1 1 54 54 ALA H H 54 8.443 8.443 8.285 0.158 19459 9673 1 15 . 1 1 55 55 LYS N N 55 118.318 118.318 119.168 -0.850 19459 9674 1 15 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.130 -0.386 19459 9675 1 15 . 1 1 55 55 LYS C C 55 172.519 172.519 176.070 -3.551 19459 9676 1 15 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.661 1.283 19459 9677 1 15 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.733 -0.101 19459 9678 1 15 . 1 1 55 55 LYS H H 55 7.612 7.612 7.658 -0.046 19459 9679 1 15 . 1 1 56 56 ASP N N 56 119.214 119.214 121.327 -2.113 19459 9680 1 15 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.257 -0.140 19459 9681 1 15 . 1 1 56 56 ASP C C 56 173.700 173.700 176.245 -2.545 19459 9682 1 15 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.361 0.023 19459 9683 1 15 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.459 -0.289 19459 9684 1 15 . 1 1 56 56 ASP H H 56 8.555 8.555 8.791 -0.236 19459 9685 1 15 . 1 1 57 57 ARG N N 57 116.006 116.006 116.193 -0.187 19459 9686 1 15 . 1 1 57 57 ARG HA H 57 3.880 3.880 3.839 0.041 19459 9687 1 15 . 1 1 57 57 ARG C C 57 171.638 171.638 175.111 -3.473 19459 9688 1 15 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.628 -1.701 19459 9689 1 15 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.440 1.717 19459 9690 1 15 . 1 1 57 57 ARG H H 57 7.352 7.352 7.949 -0.597 19459 9691 1 15 . 1 1 58 58 CYS N N 58 115.000 115.000 114.634 0.366 19459 9692 1 15 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.419 1.155 19459 9693 1 15 . 1 1 58 58 CYS C C 58 175.576 175.576 172.786 2.790 19459 9694 1 15 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.904 -5.051 19459 9695 1 15 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.416 14.160 19459 9696 1 15 . 1 1 58 58 CYS H H 58 7.587 7.587 6.857 0.730 19459 9697 1 15 . 1 1 59 59 ARG N N 59 123.440 123.440 120.775 2.665 19459 9698 1 15 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.843 -0.083 19459 9699 1 15 . 1 1 59 59 ARG C C 59 173.566 173.566 175.171 -1.605 19459 9700 1 15 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.752 -0.513 19459 9701 1 15 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.697 -0.895 19459 9702 1 15 . 1 1 59 59 ARG H H 59 8.984 8.984 8.529 0.455 19459 9703 1 15 . 1 1 60 60 ARG N N 60 125.644 125.644 122.717 2.927 19459 9704 1 15 . 1 1 60 60 ARG HA H 60 3.651 3.651 5.199 -1.548 19459 9705 1 15 . 1 1 60 60 ARG C C 60 172.119 172.119 175.801 -3.682 19459 9706 1 15 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.858 3.440 19459 9707 1 15 . 1 1 60 60 ARG CB C 60 31.268 31.268 32.217 -0.949 19459 9708 1 15 . 1 1 60 60 ARG H H 60 9.163 9.163 8.679 0.484 19459 9709 1 15 . 1 1 61 61 LYS N N 61 124.217 124.217 119.769 4.448 19459 9710 1 15 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.568 -0.451 19459 9711 1 15 . 1 1 61 61 LYS C C 61 173.791 173.791 175.029 -1.238 19459 9712 1 15 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.343 2.855 19459 9713 1 15 . 1 1 61 61 LYS CB C 61 35.214 35.214 35.053 0.161 19459 9714 1 15 . 1 1 61 61 LYS H H 61 8.601 8.601 8.381 0.220 19459 9715 1 15 . 1 1 62 62 SER N N 62 114.120 114.120 113.622 0.498 19459 9716 1 15 . 1 1 62 62 SER HA H 62 4.765 4.765 4.758 0.007 19459 9717 1 15 . 1 1 62 62 SER C C 62 175.019 175.019 173.750 1.269 19459 9718 1 15 . 1 1 62 62 SER CA C 62 58.227 58.227 57.331 0.896 19459 9719 1 15 . 1 1 62 62 SER CB C 62 65.387 65.387 66.259 -0.872 19459 9720 1 15 . 1 1 62 62 SER H H 62 8.494 8.494 8.424 0.070 19459 9721 1 15 . 1 1 63 63 CYS N N 63 122.858 122.858 119.946 2.912 19459 9722 1 15 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.624 -0.556 19459 9723 1 15 . 1 1 63 63 CYS C C 63 176.076 176.076 173.836 2.240 19459 9724 1 15 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.289 2.978 19459 9725 1 15 . 1 1 63 63 CYS CB C 63 40.768 40.768 29.906 10.862 19459 9726 1 15 . 1 1 63 63 CYS H H 63 8.359 8.359 8.543 -0.184 19459 9727 1 15 . 1 1 64 64 ARG N N 64 118.145 118.145 120.892 -2.747 19459 9728 1 15 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.778 -0.612 19459 9729 1 15 . 1 1 64 64 ARG C C 64 173.077 173.077 173.941 -0.864 19459 9730 1 15 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.910 1.070 19459 9731 1 15 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.469 -2.010 19459 9732 1 15 . 1 1 64 64 ARG H H 64 8.496 8.496 8.540 -0.044 19459 9733 1 15 . 1 1 65 65 ASN N N 65 122.302 122.302 118.793 3.509 19459 9734 1 15 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.251 -0.517 19459 9735 1 15 . 1 1 65 65 ASN C C 65 175.117 175.117 174.684 0.433 19459 9736 1 15 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.420 0.692 19459 9737 1 15 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.477 -1.110 19459 9738 1 15 . 1 1 65 65 ASN H H 65 8.691 8.691 9.054 -0.363 19459 9739 1 15 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.333 0.150 19459 9740 1 15 . 1 1 67 67 PRO C C 67 172.228 172.228 176.838 -4.610 19459 9741 1 15 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.161 -1.495 19459 9742 1 15 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.724 0.763 19459 9743 1 15 . 1 1 68 68 ASP N N 68 118.184 118.184 120.201 -2.017 19459 9744 1 15 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.244 0.398 19459 9745 1 15 . 1 1 68 68 ASP C C 68 173.951 173.951 173.782 0.169 19459 9746 1 15 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.626 -1.447 19459 9747 1 15 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.828 0.671 19459 9748 1 15 . 1 1 68 68 ASP H H 68 8.201 8.201 7.863 0.338 19459 9749 1 15 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.582 -0.346 19459 9750 1 15 . 1 1 69 69 PRO C C 69 172.350 172.350 177.523 -5.173 19459 9751 1 15 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.744 -0.833 19459 9752 1 15 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.453 -1.218 19459 9753 1 15 . 1 1 70 70 VAL N N 70 125.745 125.745 122.256 3.489 19459 9754 1 15 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.685 -0.026 19459 9755 1 15 . 1 1 70 70 VAL C C 70 171.231 171.231 177.380 -6.149 19459 9756 1 15 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.038 -0.374 19459 9757 1 15 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.868 -1.017 19459 9758 1 15 . 1 1 70 70 VAL H H 70 8.251 8.251 8.577 -0.326 19459 9759 1 15 . 1 1 71 71 ASN N N 71 119.702 119.702 117.425 2.277 19459 9760 1 15 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.586 -0.585 19459 9761 1 15 . 1 1 71 71 ASN C C 71 176.167 176.167 175.836 0.331 19459 9762 1 15 . 1 1 71 71 ASN CA C 71 55.520 55.520 53.925 1.595 19459 9763 1 15 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.696 -2.454 19459 9764 1 15 . 1 1 71 71 ASN H H 71 8.994 8.994 8.525 0.469 19459 9765 1 15 . 1 1 72 72 GLY N N 72 104.254 104.254 106.230 -1.976 19459 9766 1 15 . 1 1 72 72 GLY C C 72 177.732 177.732 173.698 4.034 19459 9767 1 15 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.858 2.240 19459 9768 1 15 . 1 1 72 72 GLY H H 72 7.637 7.637 8.193 -0.556 19459 9769 1 15 . 1 1 73 73 MET N N 73 116.529 116.529 120.264 -3.735 19459 9770 1 15 . 1 1 73 73 MET HA H 73 4.887 4.887 4.567 0.320 19459 9771 1 15 . 1 1 73 73 MET C C 73 175.128 175.128 174.080 1.048 19459 9772 1 15 . 1 1 73 73 MET CA C 73 54.890 54.890 54.828 0.062 19459 9773 1 15 . 1 1 73 73 MET CB C 73 36.837 36.837 34.576 2.261 19459 9774 1 15 . 1 1 73 73 MET H H 73 8.819 8.819 8.078 0.741 19459 9775 1 15 . 1 1 74 74 VAL N N 74 122.511 122.511 122.179 0.332 19459 9776 1 15 . 1 1 74 74 VAL HA H 74 4.603 4.603 5.127 -0.524 19459 9777 1 15 . 1 1 74 74 VAL C C 74 176.573 176.573 174.653 1.920 19459 9778 1 15 . 1 1 74 74 VAL CA C 74 59.009 59.009 58.792 0.217 19459 9779 1 15 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.225 0.277 19459 9780 1 15 . 1 1 74 74 VAL H H 74 8.796 8.796 7.929 0.867 19459 9781 1 15 . 1 1 75 75 HIS N N 75 125.200 125.200 126.803 -1.603 19459 9782 1 15 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.865 -0.151 19459 9783 1 15 . 1 1 75 75 HIS C C 75 175.500 175.500 174.336 1.164 19459 9784 1 15 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.740 -1.055 19459 9785 1 15 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.190 -3.182 19459 9786 1 15 . 1 1 75 75 HIS H H 75 8.977 8.977 8.389 0.588 19459 9787 1 15 . 1 1 76 76 VAL N N 76 127.456 127.456 120.659 6.797 19459 9788 1 15 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.354 -0.182 19459 9789 1 15 . 1 1 76 76 VAL C C 76 173.257 173.257 175.223 -1.966 19459 9790 1 15 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.347 0.851 19459 9791 1 15 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.050 -0.710 19459 9792 1 15 . 1 1 76 76 VAL H H 76 8.926 8.926 8.496 0.430 19459 9793 1 15 . 1 1 77 77 ILE N N 77 126.756 126.756 128.016 -1.260 19459 9794 1 15 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.900 0.251 19459 9795 1 15 . 1 1 77 77 ILE C C 77 172.744 172.744 177.293 -4.549 19459 9796 1 15 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.069 -1.135 19459 9797 1 15 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.278 0.894 19459 9798 1 15 . 1 1 77 77 ILE H H 77 7.978 7.978 8.414 -0.436 19459 9799 1 15 . 1 1 78 78 LYS N N 78 123.427 123.427 118.952 4.475 19459 9800 1 15 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.382 0.195 19459 9801 1 15 . 1 1 78 78 LYS C C 78 172.800 172.800 177.279 -4.479 19459 9802 1 15 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.845 -0.462 19459 9803 1 15 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.736 0.116 19459 9804 1 15 . 1 1 78 78 LYS H H 78 9.415 9.415 8.275 1.140 19459 9805 1 15 . 1 1 79 79 GLY N N 79 108.777 108.777 108.138 0.639 19459 9806 1 15 . 1 1 79 79 GLY C C 79 176.221 176.221 174.194 2.027 19459 9807 1 15 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.352 -0.470 19459 9808 1 15 . 1 1 79 79 GLY H H 79 7.857 7.857 8.445 -0.588 19459 9809 1 15 . 1 1 80 80 ILE N N 80 109.131 109.131 117.117 -7.986 19459 9810 1 15 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.202 0.756 19459 9811 1 15 . 1 1 80 80 ILE C C 80 174.883 174.883 174.380 0.503 19459 9812 1 15 . 1 1 80 80 ILE CA C 80 60.657 60.657 60.966 -0.309 19459 9813 1 15 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.464 3.247 19459 9814 1 15 . 1 1 80 80 ILE H H 80 8.076 8.076 8.206 -0.130 19459 9815 1 15 . 1 1 81 81 GLN N N 81 116.732 116.732 121.790 -5.058 19459 9816 1 15 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.899 -0.233 19459 9817 1 15 . 1 1 81 81 GLN C C 81 172.989 172.989 173.831 -0.842 19459 9818 1 15 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.140 1.361 19459 9819 1 15 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.740 -2.066 19459 9820 1 15 . 1 1 81 81 GLN H H 81 7.682 7.682 8.107 -0.425 19459 9821 1 15 . 1 1 82 82 PHE N N 82 119.773 119.773 124.100 -4.327 19459 9822 1 15 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.031 -0.151 19459 9823 1 15 . 1 1 82 82 PHE C C 82 173.680 173.680 176.723 -3.043 19459 9824 1 15 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.428 -0.743 19459 9825 1 15 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.090 1.029 19459 9826 1 15 . 1 1 82 82 PHE H H 82 8.615 8.615 8.456 0.159 19459 9827 1 15 . 1 1 83 83 GLY N N 83 119.507 119.507 115.081 4.426 19459 9828 1 15 . 1 1 83 83 GLY C C 83 174.662 174.662 173.700 0.962 19459 9829 1 15 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.416 0.075 19459 9830 1 15 . 1 1 83 83 GLY H H 83 9.086 9.086 8.232 0.854 19459 9831 1 15 . 1 1 84 84 SER N N 84 118.128 118.128 116.391 1.737 19459 9832 1 15 . 1 1 84 84 SER HA H 84 4.415 4.415 4.494 -0.079 19459 9833 1 15 . 1 1 84 84 SER C C 84 177.247 177.247 173.436 3.811 19459 9834 1 15 . 1 1 84 84 SER CA C 84 60.111 60.111 58.396 1.715 19459 9835 1 15 . 1 1 84 84 SER CB C 84 64.281 64.281 65.409 -1.129 19459 9836 1 15 . 1 1 84 84 SER H H 84 8.573 8.573 7.763 0.810 19459 9837 1 15 . 1 1 85 85 GLN N N 85 119.913 119.913 121.418 -1.505 19459 9838 1 15 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.755 0.064 19459 9839 1 15 . 1 1 85 85 GLN C C 85 172.795 172.795 174.896 -2.101 19459 9840 1 15 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.307 -0.142 19459 9841 1 15 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.497 0.247 19459 9842 1 15 . 1 1 85 85 GLN H H 85 8.211 8.211 8.382 -0.171 19459 9843 1 15 . 1 1 86 86 ILE N N 86 119.724 119.724 118.901 0.823 19459 9844 1 15 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.132 -0.375 19459 9845 1 15 . 1 1 86 86 ILE C C 86 174.969 174.969 173.897 1.072 19459 9846 1 15 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.527 1.300 19459 9847 1 15 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.722 -0.928 19459 9848 1 15 . 1 1 86 86 ILE H H 86 9.215 9.215 9.101 0.114 19459 9849 1 15 . 1 1 87 87 LYS N N 87 117.135 117.135 120.104 -2.969 19459 9850 1 15 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.073 0.162 19459 9851 1 15 . 1 1 87 87 LYS C C 87 174.599 174.599 175.207 -0.608 19459 9852 1 15 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.261 -0.548 19459 9853 1 15 . 1 1 87 87 LYS CB C 87 36.827 36.827 35.215 1.612 19459 9854 1 15 . 1 1 87 87 LYS H H 87 7.600 7.600 8.297 -0.697 19459 9855 1 15 . 1 1 88 88 TYR N N 88 119.004 119.004 123.752 -4.748 19459 9856 1 15 . 1 1 88 88 TYR HA H 88 5.422 5.422 5.175 0.247 19459 9857 1 15 . 1 1 88 88 TYR C C 88 174.407 174.407 175.621 -1.214 19459 9858 1 15 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.644 0.291 19459 9859 1 15 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.236 5.723 19459 9860 1 15 . 1 1 88 88 TYR H H 88 8.601 8.601 9.466 -0.865 19459 9861 1 15 . 1 1 89 89 SER N N 89 113.228 113.228 116.654 -3.426 19459 9862 1 15 . 1 1 89 89 SER HA H 89 4.668 4.668 5.037 -0.369 19459 9863 1 15 . 1 1 89 89 SER C C 89 177.136 177.136 173.948 3.188 19459 9864 1 15 . 1 1 89 89 SER CA C 89 57.291 57.291 57.355 -0.064 19459 9865 1 15 . 1 1 89 89 SER CB C 89 66.534 66.534 65.602 0.932 19459 9866 1 15 . 1 1 89 89 SER H H 89 9.007 9.007 7.972 1.035 19459 9867 1 15 . 1 1 90 90 CYS N N 90 116.009 116.009 117.543 -1.534 19459 9868 1 15 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.469 0.952 19459 9869 1 15 . 1 1 90 90 CYS C C 90 173.812 173.812 174.060 -0.248 19459 9870 1 15 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.616 -5.532 19459 9871 1 15 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.543 12.861 19459 9872 1 15 . 1 1 90 90 CYS H H 90 8.806 8.806 8.241 0.565 19459 9873 1 15 . 1 1 91 91 THR N N 91 120.813 120.813 111.998 8.815 19459 9874 1 15 . 1 1 91 91 THR HA H 91 3.994 3.994 4.314 -0.320 19459 9875 1 15 . 1 1 91 91 THR C C 91 176.445 176.445 173.266 3.179 19459 9876 1 15 . 1 1 91 91 THR CA C 91 63.440 63.440 61.304 2.136 19459 9877 1 15 . 1 1 91 91 THR CB C 91 69.608 69.608 71.509 -1.901 19459 9878 1 15 . 1 1 91 91 THR H H 91 8.737 8.737 6.540 2.197 19459 9879 1 15 . 1 1 92 92 LYS N N 92 124.963 124.963 123.030 1.933 19459 9880 1 15 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.454 -0.350 19459 9881 1 15 . 1 1 92 92 LYS C C 92 172.310 172.310 176.655 -4.345 19459 9882 1 15 . 1 1 92 92 LYS CA C 92 58.887 58.887 55.813 3.074 19459 9883 1 15 . 1 1 92 92 LYS CB C 92 32.139 32.139 31.534 0.605 19459 9884 1 15 . 1 1 92 92 LYS H H 92 8.325 8.325 8.580 -0.255 19459 9885 1 15 . 1 1 93 93 GLY N N 93 113.608 113.608 115.392 -1.784 19459 9886 1 15 . 1 1 93 93 GLY C C 93 175.127 175.127 173.282 1.845 19459 9887 1 15 . 1 1 93 93 GLY CA C 93 44.711 44.711 45.052 -0.341 19459 9888 1 15 . 1 1 93 93 GLY H H 93 8.827 8.827 8.930 -0.103 19459 9889 1 15 . 1 1 94 94 TYR N N 94 119.900 119.900 117.090 2.810 19459 9890 1 15 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.887 -0.245 19459 9891 1 15 . 1 1 94 94 TYR C C 94 174.548 174.548 173.842 0.706 19459 9892 1 15 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.720 1.438 19459 9893 1 15 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.311 -0.117 19459 9894 1 15 . 1 1 94 94 TYR H H 94 8.281 8.281 7.698 0.583 19459 9895 1 15 . 1 1 95 95 ARG N N 95 122.431 122.431 120.278 2.153 19459 9896 1 15 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.035 0.493 19459 9897 1 15 . 1 1 95 95 ARG C C 95 175.179 175.179 174.089 1.090 19459 9898 1 15 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.521 0.032 19459 9899 1 15 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.562 -0.361 19459 9900 1 15 . 1 1 95 95 ARG H H 95 9.608 9.608 8.327 1.281 19459 9901 1 15 . 1 1 96 96 LEU N N 96 125.652 125.652 123.561 2.091 19459 9902 1 15 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.645 0.017 19459 9903 1 15 . 1 1 96 96 LEU C C 96 172.420 172.420 176.749 -4.329 19459 9904 1 15 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.230 2.273 19459 9905 1 15 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.429 -0.623 19459 9906 1 15 . 1 1 96 96 LEU H H 96 8.231 8.231 8.221 0.010 19459 9907 1 15 . 1 1 97 97 ILE N N 97 131.597 131.597 126.864 4.733 19459 9908 1 15 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.845 0.395 19459 9909 1 15 . 1 1 97 97 ILE C C 97 174.158 174.158 176.435 -2.277 19459 9910 1 15 . 1 1 97 97 ILE CA C 97 61.169 61.169 63.277 -2.108 19459 9911 1 15 . 1 1 97 97 ILE CB C 97 37.803 37.803 38.383 -0.580 19459 9912 1 15 . 1 1 97 97 ILE H H 97 9.661 9.661 8.522 1.139 19459 9913 1 15 . 1 1 98 98 GLY N N 98 116.731 116.731 106.841 9.890 19459 9914 1 15 . 1 1 98 98 GLY C C 98 176.923 176.923 173.356 3.567 19459 9915 1 15 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.134 -1.070 19459 9916 1 15 . 1 1 98 98 GLY H H 98 8.465 8.465 7.714 0.751 19459 9917 1 15 . 1 1 99 99 SER N N 99 116.632 116.632 116.670 -0.038 19459 9918 1 15 . 1 1 99 99 SER HA H 99 4.509 4.509 4.626 -0.117 19459 9919 1 15 . 1 1 99 99 SER C C 99 175.013 175.013 174.497 0.516 19459 9920 1 15 . 1 1 99 99 SER CA C 99 58.328 58.328 57.675 0.653 19459 9921 1 15 . 1 1 99 99 SER CB C 99 63.996 63.996 63.639 0.357 19459 9922 1 15 . 1 1 99 99 SER H H 99 8.759 8.759 8.537 0.222 19459 9923 1 15 . 1 1 100 100 SER N N 100 116.696 116.696 121.603 -4.907 19459 9924 1 15 . 1 1 100 100 SER HA H 100 4.447 4.447 4.638 -0.191 19459 9925 1 15 . 1 1 100 100 SER C C 100 175.403 175.403 174.749 0.654 19459 9926 1 15 . 1 1 100 100 SER CA C 100 59.209 59.209 59.437 -0.228 19459 9927 1 15 . 1 1 100 100 SER CB C 100 64.035 64.035 64.067 -0.032 19459 9928 1 15 . 1 1 100 100 SER H H 100 8.617 8.617 8.658 -0.041 19459 9929 1 15 . 1 1 101 101 SER N N 101 115.247 115.247 117.068 -1.821 19459 9930 1 15 . 1 1 101 101 SER HA H 101 5.346 5.346 5.486 -0.140 19459 9931 1 15 . 1 1 101 101 SER C C 101 176.888 176.888 172.432 4.456 19459 9932 1 15 . 1 1 101 101 SER CA C 101 57.021 57.021 57.311 -0.290 19459 9933 1 15 . 1 1 101 101 SER CB C 101 66.391 66.391 67.049 -0.658 19459 9934 1 15 . 1 1 101 101 SER H H 101 7.952 7.952 7.443 0.509 19459 9935 1 15 . 1 1 102 102 ALA N N 102 121.438 121.438 124.179 -2.741 19459 9936 1 15 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.564 -0.477 19459 9937 1 15 . 1 1 102 102 ALA C C 102 173.807 173.807 175.969 -2.162 19459 9938 1 15 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.564 1.259 19459 9939 1 15 . 1 1 102 102 ALA CB C 102 24.071 24.071 23.026 1.045 19459 9940 1 15 . 1 1 102 102 ALA H H 102 8.286 8.286 8.947 -0.661 19459 9941 1 15 . 1 1 103 103 THR N N 103 118.007 118.007 118.449 -0.442 19459 9942 1 15 . 1 1 103 103 THR HA H 103 5.560 5.560 5.529 0.031 19459 9943 1 15 . 1 1 103 103 THR C C 103 176.159 176.159 174.382 1.777 19459 9944 1 15 . 1 1 103 103 THR CA C 103 61.342 61.342 61.716 -0.374 19459 9945 1 15 . 1 1 103 103 THR CB C 103 71.171 71.171 70.891 0.279 19459 9946 1 15 . 1 1 103 103 THR H H 103 9.636 9.636 9.758 -0.122 19459 9947 1 15 . 1 1 104 104 CYS N N 104 127.602 127.602 127.872 -0.270 19459 9948 1 15 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.679 -0.313 19459 9949 1 15 . 1 1 104 104 CYS C C 104 174.892 174.892 174.601 0.291 19459 9950 1 15 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.468 -3.989 19459 9951 1 15 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.104 13.081 19459 9952 1 15 . 1 1 104 104 CYS H H 104 8.338 8.338 8.706 -0.368 19459 9953 1 15 . 1 1 105 105 ILE N N 105 126.775 126.775 122.433 4.342 19459 9954 1 15 . 1 1 105 105 ILE HA H 105 4.909 4.909 4.959 -0.050 19459 9955 1 15 . 1 1 105 105 ILE C C 105 174.390 174.390 173.769 0.621 19459 9956 1 15 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.155 1.066 19459 9957 1 15 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.963 0.559 19459 9958 1 15 . 1 1 105 105 ILE H H 105 9.375 9.375 9.169 0.206 19459 9959 1 15 . 1 1 106 106 ILE N N 106 118.256 118.256 122.331 -4.075 19459 9960 1 15 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.131 -0.061 19459 9961 1 15 . 1 1 106 106 ILE C C 106 172.560 172.560 176.602 -4.042 19459 9962 1 15 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.400 1.489 19459 9963 1 15 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.216 3.469 19459 9964 1 15 . 1 1 106 106 ILE H H 106 8.041 8.041 8.472 -0.431 19459 9965 1 15 . 1 1 107 107 SER N N 107 120.167 120.167 124.989 -4.822 19459 9966 1 15 . 1 1 107 107 SER HA H 107 4.376 4.376 4.364 0.012 19459 9967 1 15 . 1 1 107 107 SER C C 107 174.594 174.594 175.140 -0.546 19459 9968 1 15 . 1 1 107 107 SER CA C 107 57.111 57.111 60.037 -2.926 19459 9969 1 15 . 1 1 107 107 SER CB C 107 63.835 63.835 63.728 0.107 19459 9970 1 15 . 1 1 107 107 SER H H 107 8.013 8.013 9.018 -1.005 19459 9971 1 15 . 1 1 108 108 GLY N N 108 119.089 119.089 108.725 10.364 19459 9972 1 15 . 1 1 108 108 GLY C C 108 174.665 174.665 173.081 1.584 19459 9973 1 15 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.506 1.982 19459 9974 1 15 . 1 1 108 108 GLY H H 108 9.116 9.116 7.660 1.456 19459 9975 1 15 . 1 1 109 109 ASP N N 109 127.143 127.143 119.302 7.841 19459 9976 1 15 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.882 -0.121 19459 9977 1 15 . 1 1 109 109 ASP C C 109 173.724 173.724 176.244 -2.520 19459 9978 1 15 . 1 1 109 109 ASP CA C 109 53.723 53.723 54.118 -0.395 19459 9979 1 15 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.160 0.072 19459 9980 1 15 . 1 1 109 109 ASP H H 109 8.845 8.845 8.465 0.380 19459 9981 1 15 . 1 1 110 110 THR N N 110 115.044 115.044 112.136 2.908 19459 9982 1 15 . 1 1 110 110 THR HA H 110 4.663 4.663 4.525 0.138 19459 9983 1 15 . 1 1 110 110 THR C C 110 175.636 175.636 172.392 3.244 19459 9984 1 15 . 1 1 110 110 THR CA C 110 58.612 58.612 61.184 -2.572 19459 9985 1 15 . 1 1 110 110 THR CB C 110 71.146 71.146 71.416 -0.270 19459 9986 1 15 . 1 1 110 110 THR H H 110 8.134 8.134 7.343 0.791 19459 9987 1 15 . 1 1 111 111 VAL N N 111 115.728 115.728 119.901 -4.173 19459 9988 1 15 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.031 0.284 19459 9989 1 15 . 1 1 111 111 VAL C C 111 174.752 174.752 173.950 0.802 19459 9990 1 15 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.463 -1.822 19459 9991 1 15 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.152 0.672 19459 9992 1 15 . 1 1 111 111 VAL H H 111 8.310 8.310 8.493 -0.183 19459 9993 1 15 . 1 1 112 112 ILE N N 112 117.116 117.116 118.052 -0.936 19459 9994 1 15 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.620 -0.114 19459 9995 1 15 . 1 1 112 112 ILE C C 112 174.637 174.637 174.338 0.299 19459 9996 1 15 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.703 0.792 19459 9997 1 15 . 1 1 112 112 ILE CB C 112 43.191 43.191 42.056 1.135 19459 9998 1 15 . 1 1 112 112 ILE H H 112 8.945 8.945 8.563 0.382 19459 9999 1 15 . 1 1 113 113 TRP N N 113 121.755 121.755 120.791 0.964 19459 10000 1 15 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.999 0.108 19459 10001 1 15 . 1 1 113 113 TRP C C 113 170.413 170.413 176.737 -6.324 19459 10002 1 15 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.760 -0.383 19459 10003 1 15 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.028 -0.732 19459 10004 1 15 . 1 1 113 113 TRP H H 113 7.567 7.567 8.485 -0.918 19459 10005 1 15 . 1 1 114 114 ASP N N 114 123.286 123.286 119.895 3.391 19459 10006 1 15 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.510 -0.303 19459 10007 1 15 . 1 1 114 114 ASP C C 114 174.083 174.083 175.852 -1.769 19459 10008 1 15 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.274 1.127 19459 10009 1 15 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.684 -0.535 19459 10010 1 15 . 1 1 114 114 ASP H H 114 9.451 9.451 8.626 0.825 19459 10011 1 15 . 1 1 115 115 GLN N N 115 116.139 116.139 120.135 -3.996 19459 10012 1 15 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.169 0.576 19459 10013 1 15 . 1 1 115 115 GLN C C 115 173.639 173.639 176.744 -3.105 19459 10014 1 15 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.402 -3.219 19459 10015 1 15 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.174 3.149 19459 10016 1 15 . 1 1 115 115 GLN H H 115 7.305 7.305 7.944 -0.639 19459 10017 1 15 . 1 1 116 116 GLU N N 116 120.881 120.881 123.446 -2.565 19459 10018 1 15 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.153 0.177 19459 10019 1 15 . 1 1 116 116 GLU C C 116 173.578 173.578 176.534 -2.956 19459 10020 1 15 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.171 -3.014 19459 10021 1 15 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.228 -0.013 19459 10022 1 15 . 1 1 116 116 GLU H H 116 8.615 8.615 8.713 -0.098 19459 10023 1 15 . 1 1 117 117 THR N N 117 119.889 119.889 111.004 8.885 19459 10024 1 15 . 1 1 117 117 THR HA H 117 3.609 3.609 4.420 -0.811 19459 10025 1 15 . 1 1 117 117 THR C C 117 176.699 176.699 171.640 5.059 19459 10026 1 15 . 1 1 117 117 THR CA C 117 61.757 61.757 58.889 2.868 19459 10027 1 15 . 1 1 117 117 THR CB C 117 69.799 69.799 69.721 0.078 19459 10028 1 15 . 1 1 117 117 THR H H 117 8.075 8.075 7.520 0.555 19459 10029 1 15 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.414 0.118 19459 10030 1 15 . 1 1 118 118 PRO C C 118 175.300 175.300 175.497 -0.197 19459 10031 1 15 . 1 1 118 118 PRO CA C 118 62.360 62.360 63.053 -0.693 19459 10032 1 15 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.163 0.725 19459 10033 1 15 . 1 1 119 119 ILE N N 119 114.729 114.729 122.097 -7.368 19459 10034 1 15 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.301 -0.014 19459 10035 1 15 . 1 1 119 119 ILE C C 119 174.748 174.748 174.788 -0.040 19459 10036 1 15 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.954 -1.712 19459 10037 1 15 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.396 -0.212 19459 10038 1 15 . 1 1 119 119 ILE H H 119 7.874 7.874 7.782 0.092 19459 10039 1 15 . 1 1 120 120 CYS N N 120 123.444 123.444 126.260 -2.816 19459 10040 1 15 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.874 0.676 19459 10041 1 15 . 1 1 120 120 CYS C C 120 175.583 175.583 174.356 1.227 19459 10042 1 15 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.313 -4.619 19459 10043 1 15 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.597 12.853 19459 10044 1 15 . 1 1 120 120 CYS H H 120 8.583 8.583 8.558 0.025 19459 10045 1 15 . 1 1 121 121 ASP N N 121 124.459 124.459 125.246 -0.787 19459 10046 1 15 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.436 0.871 19459 10047 1 15 . 1 1 121 121 ASP C C 121 174.495 174.495 176.252 -1.757 19459 10048 1 15 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.474 -3.257 19459 10049 1 15 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.493 2.910 19459 10050 1 15 . 1 1 121 121 ASP H H 121 9.309 9.309 8.903 0.406 19459 10051 1 16 . 1 1 2 2 CYS N N 2 117.967 117.967 119.915 -1.948 19459 10052 1 16 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.677 -0.150 19459 10053 1 16 . 1 1 2 2 CYS C C 2 174.023 174.023 174.915 -0.892 19459 10054 1 16 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.966 -0.994 19459 10055 1 16 . 1 1 2 2 CYS CB C 2 45.059 45.059 26.247 18.812 19459 10056 1 16 . 1 1 2 2 CYS H H 2 9.327 9.327 8.475 0.852 19459 10057 1 16 . 1 1 3 3 ASN N N 3 119.722 119.722 115.655 4.067 19459 10058 1 16 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.813 0.436 19459 10059 1 16 . 1 1 3 3 ASN C C 3 175.027 175.027 174.022 1.005 19459 10060 1 16 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.559 -1.046 19459 10061 1 16 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.156 2.487 19459 10062 1 16 . 1 1 3 3 ASN H H 3 8.686 8.686 8.361 0.325 19459 10063 1 16 . 1 1 4 4 ALA N N 4 122.403 122.403 119.180 3.223 19459 10064 1 16 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.689 -0.260 19459 10065 1 16 . 1 1 4 4 ALA C C 4 173.517 173.517 176.610 -3.093 19459 10066 1 16 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.625 -0.812 19459 10067 1 16 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.191 -1.204 19459 10068 1 16 . 1 1 4 4 ALA H H 4 8.401 8.401 8.221 0.180 19459 10069 1 16 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.631 -0.723 19459 10070 1 16 . 1 1 5 5 PRO C C 5 172.806 172.806 176.906 -4.100 19459 10071 1 16 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.186 -1.735 19459 10072 1 16 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.366 -0.814 19459 10073 1 16 . 1 1 6 6 GLU N N 6 121.296 121.296 114.882 6.414 19459 10074 1 16 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.443 -0.252 19459 10075 1 16 . 1 1 6 6 GLU C C 6 172.835 172.835 174.502 -1.667 19459 10076 1 16 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.817 0.358 19459 10077 1 16 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.201 0.763 19459 10078 1 16 . 1 1 6 6 GLU H H 6 8.443 8.443 8.032 0.411 19459 10079 1 16 . 1 1 7 7 TRP N N 7 124.746 124.746 123.011 1.735 19459 10080 1 16 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.782 -0.850 19459 10081 1 16 . 1 1 7 7 TRP C C 7 174.236 174.236 174.880 -0.644 19459 10082 1 16 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.610 2.302 19459 10083 1 16 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.855 -0.822 19459 10084 1 16 . 1 1 7 7 TRP H H 7 8.674 8.674 8.482 0.192 19459 10085 1 16 . 1 1 8 8 LEU N N 8 125.782 125.782 131.652 -5.870 19459 10086 1 16 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.292 0.264 19459 10087 1 16 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.023 -0.058 19459 10088 1 16 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.623 -0.730 19459 10089 1 16 . 1 1 8 8 LEU H H 8 7.922 7.922 7.874 0.048 19459 10090 1 16 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.865 -0.267 19459 10091 1 16 . 1 1 9 9 PRO C C 9 172.961 172.961 176.921 -3.960 19459 10092 1 16 . 1 1 9 9 PRO CA C 9 63.540 63.540 63.991 -0.451 19459 10093 1 16 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.424 0.013 19459 10094 1 16 . 1 1 10 10 PHE N N 10 106.863 106.863 115.853 -8.990 19459 10095 1 16 . 1 1 10 10 PHE HA H 10 3.609 3.609 3.964 -0.355 19459 10096 1 16 . 1 1 10 10 PHE C C 10 175.535 175.535 175.322 0.213 19459 10097 1 16 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.287 -3.430 19459 10098 1 16 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.991 2.784 19459 10099 1 16 . 1 1 10 10 PHE H H 10 5.588 5.588 7.412 -1.824 19459 10100 1 16 . 1 1 11 11 ALA N N 11 121.214 121.214 118.062 3.152 19459 10101 1 16 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.397 -0.254 19459 10102 1 16 . 1 1 11 11 ALA C C 11 175.918 175.918 176.364 -0.446 19459 10103 1 16 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.415 1.453 19459 10104 1 16 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.727 3.003 19459 10105 1 16 . 1 1 11 11 ALA H H 11 6.349 6.349 7.073 -0.724 19459 10106 1 16 . 1 1 12 12 ARG N N 12 117.160 117.160 121.844 -4.684 19459 10107 1 16 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.749 -0.052 19459 10108 1 16 . 1 1 12 12 ARG C C 12 178.499 178.499 173.920 4.579 19459 10109 1 16 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.848 0.017 19459 10110 1 16 . 1 1 12 12 ARG H H 12 9.219 9.219 7.866 1.353 19459 10111 1 16 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.558 -0.889 19459 10112 1 16 . 1 1 13 13 PRO C C 13 171.555 171.555 177.363 -5.808 19459 10113 1 16 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.292 -0.911 19459 10114 1 16 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.011 -0.463 19459 10115 1 16 . 1 1 14 14 THR N N 14 112.823 112.823 110.227 2.596 19459 10116 1 16 . 1 1 14 14 THR HA H 14 3.905 3.905 4.350 -0.445 19459 10117 1 16 . 1 1 14 14 THR C C 14 174.364 174.364 175.634 -1.270 19459 10118 1 16 . 1 1 14 14 THR CA C 14 63.180 63.180 63.189 -0.009 19459 10119 1 16 . 1 1 14 14 THR CB C 14 68.154 68.154 69.131 -0.977 19459 10120 1 16 . 1 1 14 14 THR H H 14 8.062 8.062 8.270 -0.208 19459 10121 1 16 . 1 1 15 15 GLN N N 15 119.736 119.736 118.484 1.252 19459 10122 1 16 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.409 0.092 19459 10123 1 16 . 1 1 15 15 GLN C C 15 174.815 174.815 176.478 -1.663 19459 10124 1 16 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.375 -3.008 19459 10125 1 16 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.858 2.258 19459 10126 1 16 . 1 1 15 15 GLN H H 15 7.758 7.758 7.916 -0.158 19459 10127 1 16 . 1 1 16 16 LEU N N 16 124.583 124.583 120.392 4.191 19459 10128 1 16 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.437 -0.076 19459 10129 1 16 . 1 1 16 16 LEU C C 16 172.167 172.167 178.085 -5.918 19459 10130 1 16 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.445 -2.148 19459 10131 1 16 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.802 0.232 19459 10132 1 16 . 1 1 16 16 LEU H H 16 8.458 8.458 7.960 0.498 19459 10133 1 16 . 1 1 17 17 THR N N 17 116.730 116.730 112.622 4.108 19459 10134 1 16 . 1 1 17 17 THR HA H 17 4.633 4.633 3.688 0.945 19459 10135 1 16 . 1 1 17 17 THR C C 17 175.703 175.703 175.802 -0.099 19459 10136 1 16 . 1 1 17 17 THR CA C 17 60.358 60.358 65.146 -4.788 19459 10137 1 16 . 1 1 17 17 THR CB C 17 70.110 70.110 68.524 1.586 19459 10138 1 16 . 1 1 17 17 THR H H 17 8.325 8.325 8.184 0.141 19459 10139 1 16 . 1 1 18 18 ASP N N 18 122.839 122.839 119.122 3.717 19459 10140 1 16 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.730 0.012 19459 10141 1 16 . 1 1 18 18 ASP C C 18 173.642 173.642 175.347 -1.705 19459 10142 1 16 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.868 -1.655 19459 10143 1 16 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.476 -2.554 19459 10144 1 16 . 1 1 18 18 ASP H H 18 8.487 8.487 7.650 0.837 19459 10145 1 16 . 1 1 19 19 GLU N N 19 120.523 120.523 118.598 1.925 19459 10146 1 16 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.554 -0.481 19459 10147 1 16 . 1 1 19 19 GLU C C 19 174.249 174.249 176.730 -2.481 19459 10148 1 16 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.089 1.061 19459 10149 1 16 . 1 1 19 19 GLU CB C 19 29.343 29.343 28.790 0.553 19459 10150 1 16 . 1 1 19 19 GLU H H 19 7.931 7.931 7.131 0.800 19459 10151 1 16 . 1 1 20 20 PHE N N 20 118.500 118.500 122.104 -3.604 19459 10152 1 16 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.431 0.315 19459 10153 1 16 . 1 1 20 20 PHE C C 20 174.885 174.885 176.472 -1.587 19459 10154 1 16 . 1 1 20 20 PHE CA C 20 57.514 57.514 62.296 -4.782 19459 10155 1 16 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.662 0.821 19459 10156 1 16 . 1 1 20 20 PHE H H 20 8.279 8.279 8.664 -0.385 19459 10157 1 16 . 1 1 21 21 GLU N N 21 117.080 117.080 117.820 -0.740 19459 10158 1 16 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.818 0.192 19459 10159 1 16 . 1 1 21 21 GLU C C 21 174.900 174.900 175.445 -0.545 19459 10160 1 16 . 1 1 21 21 GLU CA C 21 54.273 54.273 56.000 -1.727 19459 10161 1 16 . 1 1 21 21 GLU CB C 21 31.373 31.373 32.363 -0.990 19459 10162 1 16 . 1 1 21 21 GLU H H 21 7.022 7.022 7.831 -0.809 19459 10163 1 16 . 1 1 22 22 PHE N N 22 119.655 119.655 121.319 -1.664 19459 10164 1 16 . 1 1 22 22 PHE HA H 22 4.969 4.969 5.014 -0.045 19459 10165 1 16 . 1 1 22 22 PHE C C 22 176.708 176.708 173.450 3.258 19459 10166 1 16 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.523 -0.747 19459 10167 1 16 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.636 -0.890 19459 10168 1 16 . 1 1 22 22 PHE H H 22 8.974 8.974 8.462 0.512 19459 10169 1 16 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.748 -0.160 19459 10170 1 16 . 1 1 23 23 PRO C C 23 171.163 171.163 176.394 -5.231 19459 10171 1 16 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.413 0.004 19459 10172 1 16 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.639 0.016 19459 10173 1 16 . 1 1 24 24 ILE N N 24 123.238 123.238 120.066 3.172 19459 10174 1 16 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.844 -0.434 19459 10175 1 16 . 1 1 24 24 ILE C C 24 172.283 172.283 177.345 -5.062 19459 10176 1 16 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.889 1.157 19459 10177 1 16 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.848 -0.399 19459 10178 1 16 . 1 1 24 24 ILE H H 24 8.199 8.199 8.498 -0.299 19459 10179 1 16 . 1 1 25 25 GLY N N 25 115.962 115.962 114.326 1.636 19459 10180 1 16 . 1 1 25 25 GLY C C 25 174.927 174.927 174.134 0.793 19459 10181 1 16 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.871 -0.448 19459 10182 1 16 . 1 1 25 25 GLY H H 25 9.061 9.061 8.749 0.312 19459 10183 1 16 . 1 1 26 26 THR N N 26 117.152 117.152 117.306 -0.154 19459 10184 1 16 . 1 1 26 26 THR HA H 26 4.081 4.081 4.751 -0.670 19459 10185 1 16 . 1 1 26 26 THR C C 26 176.723 176.723 173.202 3.521 19459 10186 1 16 . 1 1 26 26 THR CA C 26 65.711 65.711 61.479 4.232 19459 10187 1 16 . 1 1 26 26 THR CB C 26 70.084 70.084 71.145 -1.061 19459 10188 1 16 . 1 1 26 26 THR H H 26 7.704 7.704 7.409 0.295 19459 10189 1 16 . 1 1 27 27 TYR N N 27 125.094 125.094 125.759 -0.665 19459 10190 1 16 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.797 0.995 19459 10191 1 16 . 1 1 27 27 TYR C C 27 173.835 173.835 175.615 -1.780 19459 10192 1 16 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.725 -1.863 19459 10193 1 16 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.453 1.423 19459 10194 1 16 . 1 1 27 27 TYR H H 27 8.542 8.542 8.789 -0.247 19459 10195 1 16 . 1 1 28 28 LEU N N 28 120.714 120.714 124.263 -3.549 19459 10196 1 16 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.423 0.361 19459 10197 1 16 . 1 1 28 28 LEU C C 28 172.808 172.808 176.359 -3.551 19459 10198 1 16 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.724 -0.541 19459 10199 1 16 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.598 2.340 19459 10200 1 16 . 1 1 28 28 LEU H H 28 9.000 9.000 8.236 0.764 19459 10201 1 16 . 1 1 29 29 ASN N N 29 121.617 121.617 120.787 0.830 19459 10202 1 16 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.722 0.178 19459 10203 1 16 . 1 1 29 29 ASN C C 29 174.783 174.783 173.776 1.007 19459 10204 1 16 . 1 1 29 29 ASN CA C 29 54.232 54.232 53.115 1.117 19459 10205 1 16 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.943 0.248 19459 10206 1 16 . 1 1 29 29 ASN H H 29 8.544 8.544 8.110 0.434 19459 10207 1 16 . 1 1 30 30 TYR N N 30 126.738 126.738 123.044 3.694 19459 10208 1 16 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.687 -0.001 19459 10209 1 16 . 1 1 30 30 TYR C C 30 174.911 174.911 174.756 0.155 19459 10210 1 16 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.970 -0.069 19459 10211 1 16 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.866 3.976 19459 10212 1 16 . 1 1 30 30 TYR H H 30 9.324 9.324 7.961 1.363 19459 10213 1 16 . 1 1 31 31 GLU N N 31 114.116 114.116 123.830 -9.714 19459 10214 1 16 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.569 0.141 19459 10215 1 16 . 1 1 31 31 GLU C C 31 173.694 173.694 174.400 -0.706 19459 10216 1 16 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.251 -1.132 19459 10217 1 16 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.404 -0.778 19459 10218 1 16 . 1 1 31 31 GLU H H 31 8.553 8.553 8.335 0.218 19459 10219 1 16 . 1 1 32 32 CYS N N 32 121.086 121.086 122.259 -1.173 19459 10220 1 16 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.807 0.244 19459 10221 1 16 . 1 1 32 32 CYS C C 32 173.553 173.553 175.578 -2.025 19459 10222 1 16 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.476 -3.996 19459 10223 1 16 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.235 10.252 19459 10224 1 16 . 1 1 32 32 CYS H H 32 9.784 9.784 8.744 1.040 19459 10225 1 16 . 1 1 33 33 ARG N N 33 123.418 123.418 124.400 -0.982 19459 10226 1 16 . 1 1 33 33 ARG C C 33 176.822 176.822 174.380 2.442 19459 10227 1 16 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.244 1.067 19459 10228 1 16 . 1 1 33 33 ARG CB C 33 29.343 29.343 30.137 -0.794 19459 10229 1 16 . 1 1 33 33 ARG H H 33 7.898 7.898 8.749 -0.851 19459 10230 1 16 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.304 0.076 19459 10231 1 16 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.773 0.283 19459 10232 1 16 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.792 -0.457 19459 10233 1 16 . 1 1 35 35 GLY N N 35 111.039 111.039 108.874 2.165 19459 10234 1 16 . 1 1 35 35 GLY C C 35 177.546 177.546 173.301 4.245 19459 10235 1 16 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.856 -0.958 19459 10236 1 16 . 1 1 35 35 GLY H H 35 8.378 8.378 8.539 -0.161 19459 10237 1 16 . 1 1 36 36 TYR N N 36 116.682 116.682 118.151 -1.469 19459 10238 1 16 . 1 1 36 36 TYR HA H 36 5.021 5.021 5.161 -0.140 19459 10239 1 16 . 1 1 36 36 TYR C C 36 174.005 174.005 175.588 -1.583 19459 10240 1 16 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.255 0.240 19459 10241 1 16 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.028 1.953 19459 10242 1 16 . 1 1 36 36 TYR H H 36 8.175 8.175 7.301 0.874 19459 10243 1 16 . 1 1 37 37 SER N N 37 115.855 115.855 120.358 -4.503 19459 10244 1 16 . 1 1 37 37 SER HA H 37 4.819 4.819 4.258 0.561 19459 10245 1 16 . 1 1 37 37 SER C C 37 175.442 175.442 175.153 0.289 19459 10246 1 16 . 1 1 37 37 SER CA C 37 56.534 56.534 60.366 -3.832 19459 10247 1 16 . 1 1 37 37 SER CB C 37 65.642 65.642 64.033 1.609 19459 10248 1 16 . 1 1 37 37 SER H H 37 9.711 9.711 8.847 0.864 19459 10249 1 16 . 1 1 38 38 GLY N N 38 113.435 113.435 108.449 4.986 19459 10250 1 16 . 1 1 38 38 GLY C C 38 175.876 175.876 173.229 2.647 19459 10251 1 16 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.758 0.510 19459 10252 1 16 . 1 1 38 38 GLY H H 38 8.288 8.288 7.966 0.322 19459 10253 1 16 . 1 1 39 39 ARG N N 39 124.199 124.199 123.887 0.312 19459 10254 1 16 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.351 0.388 19459 10255 1 16 . 1 1 39 39 ARG C C 39 175.413 175.413 174.605 0.808 19459 10256 1 16 . 1 1 39 39 ARG CA C 39 54.740 54.740 53.538 1.202 19459 10257 1 16 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.320 -0.686 19459 10258 1 16 . 1 1 39 39 ARG H H 39 8.350 8.350 8.383 -0.033 19459 10259 1 16 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.301 0.357 19459 10260 1 16 . 1 1 40 40 PRO C C 40 173.702 173.702 175.285 -1.583 19459 10261 1 16 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.033 1.437 19459 10262 1 16 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.042 0.145 19459 10263 1 16 . 1 1 41 41 PHE N N 41 118.388 118.388 120.273 -1.885 19459 10264 1 16 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.752 0.411 19459 10265 1 16 . 1 1 41 41 PHE C C 41 176.886 176.886 175.854 1.032 19459 10266 1 16 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.178 -0.612 19459 10267 1 16 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.329 -0.065 19459 10268 1 16 . 1 1 41 41 PHE H H 41 8.017 8.017 7.938 0.079 19459 10269 1 16 . 1 1 42 42 SER N N 42 114.056 114.056 118.641 -4.585 19459 10270 1 16 . 1 1 42 42 SER HA H 42 5.771 5.771 4.944 0.827 19459 10271 1 16 . 1 1 42 42 SER C C 42 174.978 174.978 174.720 0.258 19459 10272 1 16 . 1 1 42 42 SER CA C 42 56.668 56.668 58.531 -1.863 19459 10273 1 16 . 1 1 42 42 SER CB C 42 66.152 66.152 63.831 2.321 19459 10274 1 16 . 1 1 42 42 SER H H 42 8.540 8.540 8.639 -0.099 19459 10275 1 16 . 1 1 43 43 ILE N N 43 115.669 115.669 118.124 -2.455 19459 10276 1 16 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.404 0.661 19459 10277 1 16 . 1 1 43 43 ILE C C 43 174.535 174.535 174.829 -0.294 19459 10278 1 16 . 1 1 43 43 ILE CA C 43 60.044 60.044 59.801 0.243 19459 10279 1 16 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.966 1.389 19459 10280 1 16 . 1 1 43 43 ILE H H 43 8.637 8.637 7.735 0.902 19459 10281 1 16 . 1 1 44 44 ILE N N 44 120.215 120.215 125.266 -5.051 19459 10282 1 16 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.006 0.280 19459 10283 1 16 . 1 1 44 44 ILE C C 44 174.033 174.033 177.592 -3.559 19459 10284 1 16 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.289 0.367 19459 10285 1 16 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.341 1.989 19459 10286 1 16 . 1 1 44 44 ILE H H 44 8.687 8.687 7.694 0.993 19459 10287 1 16 . 1 1 45 45 CYS N N 45 126.257 126.257 128.020 -1.763 19459 10288 1 16 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.998 -0.246 19459 10289 1 16 . 1 1 45 45 CYS C C 45 174.946 174.946 176.415 -1.469 19459 10290 1 16 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.511 -5.444 19459 10291 1 16 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.038 14.573 19459 10292 1 16 . 1 1 45 45 CYS H H 45 7.993 7.993 9.277 -1.284 19459 10293 1 16 . 1 1 46 46 LEU N N 46 132.514 132.514 121.975 10.539 19459 10294 1 16 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.032 0.384 19459 10295 1 16 . 1 1 46 46 LEU C C 46 172.195 172.195 177.128 -4.933 19459 10296 1 16 . 1 1 46 46 LEU CA C 46 54.344 54.344 57.163 -2.818 19459 10297 1 16 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.029 2.175 19459 10298 1 16 . 1 1 46 46 LEU H H 46 8.826 8.826 8.396 0.430 19459 10299 1 16 . 1 1 47 47 LYS N N 47 115.254 115.254 118.974 -3.720 19459 10300 1 16 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.307 -0.319 19459 10301 1 16 . 1 1 47 47 LYS C C 47 173.781 173.781 175.963 -2.182 19459 10302 1 16 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.926 2.057 19459 10303 1 16 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.798 -1.590 19459 10304 1 16 . 1 1 47 47 LYS H H 47 7.949 7.949 7.633 0.316 19459 10305 1 16 . 1 1 48 48 ASN N N 48 115.283 115.283 123.889 -8.606 19459 10306 1 16 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.399 0.137 19459 10307 1 16 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.142 -0.602 19459 10308 1 16 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.093 -0.721 19459 10309 1 16 . 1 1 48 48 ASN H H 48 8.432 8.432 9.348 -0.916 19459 10310 1 16 . 1 1 49 49 SER N N 49 110.595 110.595 106.692 3.903 19459 10311 1 16 . 1 1 49 49 SER HA H 49 3.969 3.969 3.968 0.001 19459 10312 1 16 . 1 1 49 49 SER CA C 49 59.790 59.790 59.690 0.100 19459 10313 1 16 . 1 1 49 49 SER CB C 49 60.870 60.870 61.288 -0.418 19459 10314 1 16 . 1 1 49 49 SER H H 49 8.457 8.457 8.299 0.158 19459 10315 1 16 . 1 1 50 50 VAL N N 50 117.680 117.680 117.235 0.445 19459 10316 1 16 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.768 0.565 19459 10317 1 16 . 1 1 50 50 VAL C C 50 175.347 175.347 175.117 0.230 19459 10318 1 16 . 1 1 50 50 VAL CA C 50 59.884 59.884 65.752 -5.868 19459 10319 1 16 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.078 1.759 19459 10320 1 16 . 1 1 50 50 VAL H H 50 6.840 6.840 7.867 -1.027 19459 10321 1 16 . 1 1 51 51 TRP N N 51 123.510 123.510 113.386 10.124 19459 10322 1 16 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.679 0.643 19459 10323 1 16 . 1 1 51 51 TRP C C 51 170.736 170.736 176.713 -5.977 19459 10324 1 16 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.634 -0.697 19459 10325 1 16 . 1 1 51 51 TRP CB C 51 30.791 30.791 30.407 0.384 19459 10326 1 16 . 1 1 51 51 TRP H H 51 8.310 8.310 7.266 1.044 19459 10327 1 16 . 1 1 52 52 THR N N 52 115.962 115.962 114.071 1.891 19459 10328 1 16 . 1 1 52 52 THR HA H 52 4.656 4.656 4.240 0.416 19459 10329 1 16 . 1 1 52 52 THR C C 52 175.780 175.780 175.393 0.387 19459 10330 1 16 . 1 1 52 52 THR CA C 52 61.376 61.376 64.009 -2.633 19459 10331 1 16 . 1 1 52 52 THR CB C 52 70.723 70.723 69.201 1.522 19459 10332 1 16 . 1 1 52 52 THR H H 52 9.026 9.026 8.571 0.455 19459 10333 1 16 . 1 1 53 53 GLY N N 53 108.521 108.521 108.761 -0.240 19459 10334 1 16 . 1 1 53 53 GLY C C 53 174.881 174.881 174.190 0.691 19459 10335 1 16 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.483 0.861 19459 10336 1 16 . 1 1 53 53 GLY H H 53 8.292 8.292 7.707 0.585 19459 10337 1 16 . 1 1 54 54 ALA N N 54 121.857 121.857 123.510 -1.653 19459 10338 1 16 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.141 0.012 19459 10339 1 16 . 1 1 54 54 ALA C C 54 172.786 172.786 176.907 -4.121 19459 10340 1 16 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.062 -0.366 19459 10341 1 16 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.516 2.198 19459 10342 1 16 . 1 1 54 54 ALA H H 54 8.443 8.443 8.342 0.101 19459 10343 1 16 . 1 1 55 55 LYS N N 55 118.318 118.318 118.025 0.293 19459 10344 1 16 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.473 -0.729 19459 10345 1 16 . 1 1 55 55 LYS C C 55 172.519 172.519 176.010 -3.491 19459 10346 1 16 . 1 1 55 55 LYS CA C 55 57.944 57.944 54.985 2.959 19459 10347 1 16 . 1 1 55 55 LYS CB C 55 32.632 32.632 34.610 -1.978 19459 10348 1 16 . 1 1 55 55 LYS H H 55 7.612 7.612 7.450 0.162 19459 10349 1 16 . 1 1 56 56 ASP N N 56 119.214 119.214 118.024 1.190 19459 10350 1 16 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.478 -0.361 19459 10351 1 16 . 1 1 56 56 ASP C C 56 173.700 173.700 177.022 -3.322 19459 10352 1 16 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.806 -0.422 19459 10353 1 16 . 1 1 56 56 ASP CB C 56 39.170 39.170 40.513 -1.343 19459 10354 1 16 . 1 1 56 56 ASP H H 56 8.555 8.555 8.855 -0.300 19459 10355 1 16 . 1 1 57 57 ARG N N 57 116.006 116.006 118.016 -2.010 19459 10356 1 16 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.161 -0.281 19459 10357 1 16 . 1 1 57 57 ARG C C 57 171.638 171.638 175.930 -4.292 19459 10358 1 16 . 1 1 57 57 ARG CA C 57 55.927 55.927 58.049 -2.122 19459 10359 1 16 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.451 1.706 19459 10360 1 16 . 1 1 57 57 ARG H H 57 7.352 7.352 8.545 -1.193 19459 10361 1 16 . 1 1 58 58 CYS N N 58 115.000 115.000 115.282 -0.282 19459 10362 1 16 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.611 0.963 19459 10363 1 16 . 1 1 58 58 CYS C C 58 175.576 175.576 173.851 1.725 19459 10364 1 16 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.800 -4.948 19459 10365 1 16 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.167 15.409 19459 10366 1 16 . 1 1 58 58 CYS H H 58 7.587 7.587 8.030 -0.443 19459 10367 1 16 . 1 1 59 59 ARG N N 59 123.440 123.440 121.386 2.054 19459 10368 1 16 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.526 0.234 19459 10369 1 16 . 1 1 59 59 ARG C C 59 173.566 173.566 175.509 -1.943 19459 10370 1 16 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.813 -0.574 19459 10371 1 16 . 1 1 59 59 ARG CB C 59 32.802 32.802 34.001 -1.199 19459 10372 1 16 . 1 1 59 59 ARG H H 59 8.984 8.984 8.599 0.385 19459 10373 1 16 . 1 1 60 60 ARG N N 60 125.644 125.644 123.043 2.601 19459 10374 1 16 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.621 -0.970 19459 10375 1 16 . 1 1 60 60 ARG C C 60 172.119 172.119 175.754 -3.635 19459 10376 1 16 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.346 2.952 19459 10377 1 16 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.314 -0.046 19459 10378 1 16 . 1 1 60 60 ARG H H 60 9.163 9.163 8.578 0.585 19459 10379 1 16 . 1 1 61 61 LYS N N 61 124.217 124.217 119.888 4.329 19459 10380 1 16 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.356 -0.239 19459 10381 1 16 . 1 1 61 61 LYS C C 61 173.791 173.791 176.107 -2.316 19459 10382 1 16 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.867 2.331 19459 10383 1 16 . 1 1 61 61 LYS CB C 61 35.214 35.214 33.281 1.933 19459 10384 1 16 . 1 1 61 61 LYS H H 61 8.601 8.601 8.291 0.310 19459 10385 1 16 . 1 1 62 62 SER N N 62 114.120 114.120 117.579 -3.459 19459 10386 1 16 . 1 1 62 62 SER HA H 62 4.765 4.765 4.389 0.376 19459 10387 1 16 . 1 1 62 62 SER C C 62 175.019 175.019 174.558 0.461 19459 10388 1 16 . 1 1 62 62 SER CA C 62 58.227 58.227 58.844 -0.617 19459 10389 1 16 . 1 1 62 62 SER CB C 62 65.387 65.387 63.977 1.410 19459 10390 1 16 . 1 1 62 62 SER H H 62 8.494 8.494 8.498 -0.004 19459 10391 1 16 . 1 1 63 63 CYS N N 63 122.858 122.858 124.364 -1.506 19459 10392 1 16 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.484 -0.416 19459 10393 1 16 . 1 1 63 63 CYS C C 63 176.076 176.076 174.643 1.433 19459 10394 1 16 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.983 2.284 19459 10395 1 16 . 1 1 63 63 CYS CB C 63 40.768 40.768 27.983 12.785 19459 10396 1 16 . 1 1 63 63 CYS H H 63 8.359 8.359 8.675 -0.316 19459 10397 1 16 . 1 1 64 64 ARG N N 64 118.145 118.145 121.704 -3.559 19459 10398 1 16 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.670 -0.504 19459 10399 1 16 . 1 1 64 64 ARG C C 64 173.077 173.077 174.238 -1.161 19459 10400 1 16 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.789 1.191 19459 10401 1 16 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.258 -1.799 19459 10402 1 16 . 1 1 64 64 ARG H H 64 8.496 8.496 8.702 -0.206 19459 10403 1 16 . 1 1 65 65 ASN N N 65 122.302 122.302 120.084 2.218 19459 10404 1 16 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.120 -0.386 19459 10405 1 16 . 1 1 65 65 ASN C C 65 175.117 175.117 174.081 1.036 19459 10406 1 16 . 1 1 65 65 ASN CA C 65 52.112 52.112 50.808 1.304 19459 10407 1 16 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.349 -0.982 19459 10408 1 16 . 1 1 65 65 ASN H H 65 8.691 8.691 8.914 -0.223 19459 10409 1 16 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.588 -0.105 19459 10410 1 16 . 1 1 67 67 PRO C C 67 172.228 172.228 176.104 -3.876 19459 10411 1 16 . 1 1 67 67 PRO CA C 67 61.666 61.666 62.540 -0.874 19459 10412 1 16 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.511 0.976 19459 10413 1 16 . 1 1 68 68 ASP N N 68 118.184 118.184 120.936 -2.752 19459 10414 1 16 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.439 0.203 19459 10415 1 16 . 1 1 68 68 ASP C C 68 173.951 173.951 175.402 -1.451 19459 10416 1 16 . 1 1 68 68 ASP CA C 68 53.179 53.179 53.507 -0.328 19459 10417 1 16 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.198 0.301 19459 10418 1 16 . 1 1 68 68 ASP H H 68 8.201 8.201 8.064 0.137 19459 10419 1 16 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.510 -0.274 19459 10420 1 16 . 1 1 69 69 PRO C C 69 172.350 172.350 177.477 -5.127 19459 10421 1 16 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.178 -0.267 19459 10422 1 16 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.998 -1.763 19459 10423 1 16 . 1 1 70 70 VAL N N 70 125.745 125.745 118.217 7.528 19459 10424 1 16 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.702 -0.043 19459 10425 1 16 . 1 1 70 70 VAL C C 70 171.231 171.231 177.291 -6.060 19459 10426 1 16 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.464 -0.800 19459 10427 1 16 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.701 -0.850 19459 10428 1 16 . 1 1 70 70 VAL H H 70 8.251 8.251 8.652 -0.402 19459 10429 1 16 . 1 1 71 71 ASN N N 71 119.702 119.702 117.652 2.050 19459 10430 1 16 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.639 -0.638 19459 10431 1 16 . 1 1 71 71 ASN C C 71 176.167 176.167 176.039 0.128 19459 10432 1 16 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.701 2.819 19459 10433 1 16 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.548 -2.306 19459 10434 1 16 . 1 1 71 71 ASN H H 71 8.994 8.994 8.254 0.740 19459 10435 1 16 . 1 1 72 72 GLY N N 72 104.254 104.254 107.845 -3.591 19459 10436 1 16 . 1 1 72 72 GLY C C 72 177.732 177.732 174.858 2.874 19459 10437 1 16 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.618 1.480 19459 10438 1 16 . 1 1 72 72 GLY H H 72 7.637 7.637 7.864 -0.227 19459 10439 1 16 . 1 1 73 73 MET N N 73 116.529 116.529 118.216 -1.687 19459 10440 1 16 . 1 1 73 73 MET HA H 73 4.887 4.887 4.021 0.866 19459 10441 1 16 . 1 1 73 73 MET C C 73 175.128 175.128 176.824 -1.696 19459 10442 1 16 . 1 1 73 73 MET CA C 73 54.890 54.890 57.158 -2.268 19459 10443 1 16 . 1 1 73 73 MET CB C 73 36.837 36.837 32.981 3.856 19459 10444 1 16 . 1 1 73 73 MET H H 73 8.819 8.819 7.543 1.276 19459 10445 1 16 . 1 1 74 74 VAL N N 74 122.511 122.511 117.640 4.871 19459 10446 1 16 . 1 1 74 74 VAL HA H 74 4.603 4.603 3.796 0.807 19459 10447 1 16 . 1 1 74 74 VAL C C 74 176.573 176.573 175.416 1.157 19459 10448 1 16 . 1 1 74 74 VAL CA C 74 59.009 59.009 62.969 -3.960 19459 10449 1 16 . 1 1 74 74 VAL CB C 74 34.502 34.502 30.795 3.707 19459 10450 1 16 . 1 1 74 74 VAL H H 74 8.796 8.796 7.582 1.214 19459 10451 1 16 . 1 1 75 75 HIS N N 75 125.200 125.200 127.900 -2.700 19459 10452 1 16 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.563 0.151 19459 10453 1 16 . 1 1 75 75 HIS C C 75 175.500 175.500 174.055 1.445 19459 10454 1 16 . 1 1 75 75 HIS CA C 75 53.685 53.685 55.748 -2.062 19459 10455 1 16 . 1 1 75 75 HIS CB C 75 29.008 29.008 30.333 -1.325 19459 10456 1 16 . 1 1 75 75 HIS H H 75 8.977 8.977 7.929 1.048 19459 10457 1 16 . 1 1 76 76 VAL N N 76 127.456 127.456 126.535 0.921 19459 10458 1 16 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.288 -0.116 19459 10459 1 16 . 1 1 76 76 VAL C C 76 173.257 173.257 175.168 -1.911 19459 10460 1 16 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.761 1.437 19459 10461 1 16 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.454 -1.114 19459 10462 1 16 . 1 1 76 76 VAL H H 76 8.926 8.926 8.569 0.357 19459 10463 1 16 . 1 1 77 77 ILE N N 77 126.756 126.756 129.541 -2.785 19459 10464 1 16 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.875 0.276 19459 10465 1 16 . 1 1 77 77 ILE C C 77 172.744 172.744 177.338 -4.594 19459 10466 1 16 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.981 -1.047 19459 10467 1 16 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.096 1.077 19459 10468 1 16 . 1 1 77 77 ILE H H 77 7.978 7.978 8.309 -0.331 19459 10469 1 16 . 1 1 78 78 LYS N N 78 123.427 123.427 118.957 4.470 19459 10470 1 16 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.388 0.189 19459 10471 1 16 . 1 1 78 78 LYS C C 78 172.800 172.800 177.235 -4.435 19459 10472 1 16 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.935 -0.553 19459 10473 1 16 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.767 0.085 19459 10474 1 16 . 1 1 78 78 LYS H H 78 9.415 9.415 8.312 1.103 19459 10475 1 16 . 1 1 79 79 GLY N N 79 108.777 108.777 107.897 0.880 19459 10476 1 16 . 1 1 79 79 GLY C C 79 176.221 176.221 174.136 2.085 19459 10477 1 16 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.195 -0.313 19459 10478 1 16 . 1 1 79 79 GLY H H 79 7.857 7.857 8.483 -0.626 19459 10479 1 16 . 1 1 80 80 ILE N N 80 109.131 109.131 116.177 -7.046 19459 10480 1 16 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.233 0.725 19459 10481 1 16 . 1 1 80 80 ILE C C 80 174.883 174.883 173.740 1.143 19459 10482 1 16 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.112 -0.455 19459 10483 1 16 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.395 2.316 19459 10484 1 16 . 1 1 80 80 ILE H H 80 8.076 8.076 8.137 -0.061 19459 10485 1 16 . 1 1 81 81 GLN N N 81 116.732 116.732 120.115 -3.383 19459 10486 1 16 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.535 0.131 19459 10487 1 16 . 1 1 81 81 GLN C C 81 172.989 172.989 174.335 -1.346 19459 10488 1 16 . 1 1 81 81 GLN CA C 81 55.501 55.501 53.851 1.650 19459 10489 1 16 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.899 -2.225 19459 10490 1 16 . 1 1 81 81 GLN H H 81 7.682 7.682 7.843 -0.161 19459 10491 1 16 . 1 1 82 82 PHE N N 82 119.773 119.773 122.716 -2.943 19459 10492 1 16 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.006 -0.126 19459 10493 1 16 . 1 1 82 82 PHE C C 82 173.680 173.680 176.278 -2.598 19459 10494 1 16 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.335 -0.650 19459 10495 1 16 . 1 1 82 82 PHE CB C 82 40.119 40.119 38.719 1.400 19459 10496 1 16 . 1 1 82 82 PHE H H 82 8.615 8.615 8.931 -0.316 19459 10497 1 16 . 1 1 83 83 GLY N N 83 119.507 119.507 116.409 3.098 19459 10498 1 16 . 1 1 83 83 GLY C C 83 174.662 174.662 174.168 0.494 19459 10499 1 16 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.669 -0.178 19459 10500 1 16 . 1 1 83 83 GLY H H 83 9.086 9.086 8.483 0.603 19459 10501 1 16 . 1 1 84 84 SER N N 84 118.128 118.128 118.067 0.061 19459 10502 1 16 . 1 1 84 84 SER HA H 84 4.415 4.415 4.511 -0.096 19459 10503 1 16 . 1 1 84 84 SER C C 84 177.247 177.247 173.432 3.815 19459 10504 1 16 . 1 1 84 84 SER CA C 84 60.111 60.111 58.971 1.140 19459 10505 1 16 . 1 1 84 84 SER CB C 84 64.281 64.281 64.522 -0.241 19459 10506 1 16 . 1 1 84 84 SER H H 84 8.573 8.573 7.785 0.788 19459 10507 1 16 . 1 1 85 85 GLN N N 85 119.913 119.913 122.862 -2.949 19459 10508 1 16 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.750 0.069 19459 10509 1 16 . 1 1 85 85 GLN C C 85 172.795 172.795 175.103 -2.308 19459 10510 1 16 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.250 -0.085 19459 10511 1 16 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.334 0.410 19459 10512 1 16 . 1 1 85 85 GLN H H 85 8.211 8.211 8.519 -0.308 19459 10513 1 16 . 1 1 86 86 ILE N N 86 119.724 119.724 119.431 0.293 19459 10514 1 16 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.179 -0.422 19459 10515 1 16 . 1 1 86 86 ILE C C 86 174.969 174.969 173.992 0.977 19459 10516 1 16 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.552 1.275 19459 10517 1 16 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.748 -0.955 19459 10518 1 16 . 1 1 86 86 ILE H H 86 9.215 9.215 8.879 0.336 19459 10519 1 16 . 1 1 87 87 LYS N N 87 117.135 117.135 119.391 -2.256 19459 10520 1 16 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.976 0.259 19459 10521 1 16 . 1 1 87 87 LYS C C 87 174.599 174.599 175.662 -1.063 19459 10522 1 16 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.376 -0.662 19459 10523 1 16 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.780 2.047 19459 10524 1 16 . 1 1 87 87 LYS H H 87 7.600 7.600 8.648 -1.048 19459 10525 1 16 . 1 1 88 88 TYR N N 88 119.004 119.004 122.975 -3.971 19459 10526 1 16 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.655 0.767 19459 10527 1 16 . 1 1 88 88 TYR C C 88 174.407 174.407 174.838 -0.431 19459 10528 1 16 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.768 0.167 19459 10529 1 16 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.218 5.741 19459 10530 1 16 . 1 1 88 88 TYR H H 88 8.601 8.601 9.417 -0.816 19459 10531 1 16 . 1 1 89 89 SER N N 89 113.228 113.228 116.268 -3.040 19459 10532 1 16 . 1 1 89 89 SER HA H 89 4.668 4.668 4.782 -0.114 19459 10533 1 16 . 1 1 89 89 SER C C 89 177.136 177.136 174.570 2.566 19459 10534 1 16 . 1 1 89 89 SER CA C 89 57.291 57.291 59.003 -1.712 19459 10535 1 16 . 1 1 89 89 SER CB C 89 66.534 66.534 64.117 2.417 19459 10536 1 16 . 1 1 89 89 SER H H 89 9.007 9.007 8.121 0.886 19459 10537 1 16 . 1 1 90 90 CYS N N 90 116.009 116.009 122.488 -6.479 19459 10538 1 16 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.447 0.974 19459 10539 1 16 . 1 1 90 90 CYS C C 90 173.812 173.812 174.543 -0.731 19459 10540 1 16 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.294 -5.210 19459 10541 1 16 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.003 14.401 19459 10542 1 16 . 1 1 90 90 CYS H H 90 8.806 8.806 8.001 0.805 19459 10543 1 16 . 1 1 91 91 THR N N 91 120.813 120.813 110.305 10.508 19459 10544 1 16 . 1 1 91 91 THR HA H 91 3.994 3.994 4.375 -0.381 19459 10545 1 16 . 1 1 91 91 THR C C 91 176.445 176.445 174.111 2.334 19459 10546 1 16 . 1 1 91 91 THR CA C 91 63.440 63.440 61.057 2.383 19459 10547 1 16 . 1 1 91 91 THR CB C 91 69.608 69.608 71.244 -1.636 19459 10548 1 16 . 1 1 91 91 THR H H 91 8.737 8.737 6.425 2.312 19459 10549 1 16 . 1 1 92 92 LYS N N 92 124.963 124.963 123.342 1.621 19459 10550 1 16 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.180 -0.076 19459 10551 1 16 . 1 1 92 92 LYS C C 92 172.310 172.310 177.938 -5.628 19459 10552 1 16 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.201 0.686 19459 10553 1 16 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.551 -0.412 19459 10554 1 16 . 1 1 92 92 LYS H H 92 8.325 8.325 8.489 -0.164 19459 10555 1 16 . 1 1 93 93 GLY N N 93 113.608 113.608 108.234 5.374 19459 10556 1 16 . 1 1 93 93 GLY C C 93 175.127 175.127 173.255 1.872 19459 10557 1 16 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.430 0.281 19459 10558 1 16 . 1 1 93 93 GLY H H 93 8.827 8.827 8.059 0.768 19459 10559 1 16 . 1 1 94 94 TYR N N 94 119.900 119.900 120.723 -0.823 19459 10560 1 16 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.829 -0.187 19459 10561 1 16 . 1 1 94 94 TYR C C 94 174.548 174.548 173.266 1.282 19459 10562 1 16 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.911 1.247 19459 10563 1 16 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.240 -0.046 19459 10564 1 16 . 1 1 94 94 TYR H H 94 8.281 8.281 7.682 0.599 19459 10565 1 16 . 1 1 95 95 ARG N N 95 122.431 122.431 119.673 2.758 19459 10566 1 16 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.025 0.503 19459 10567 1 16 . 1 1 95 95 ARG C C 95 175.179 175.179 173.713 1.466 19459 10568 1 16 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.236 0.317 19459 10569 1 16 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.782 -0.581 19459 10570 1 16 . 1 1 95 95 ARG H H 95 9.608 9.608 8.115 1.493 19459 10571 1 16 . 1 1 96 96 LEU N N 96 125.652 125.652 122.991 2.661 19459 10572 1 16 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.635 0.027 19459 10573 1 16 . 1 1 96 96 LEU C C 96 172.420 172.420 176.559 -4.139 19459 10574 1 16 . 1 1 96 96 LEU CA C 96 56.503 56.503 53.567 2.936 19459 10575 1 16 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.948 -1.142 19459 10576 1 16 . 1 1 96 96 LEU H H 96 8.231 8.231 8.229 0.002 19459 10577 1 16 . 1 1 97 97 ILE N N 97 131.597 131.597 123.822 7.775 19459 10578 1 16 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.866 0.374 19459 10579 1 16 . 1 1 97 97 ILE C C 97 174.158 174.158 177.072 -2.914 19459 10580 1 16 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.217 -1.048 19459 10581 1 16 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.529 0.274 19459 10582 1 16 . 1 1 97 97 ILE H H 97 9.661 9.661 8.587 1.074 19459 10583 1 16 . 1 1 98 98 GLY N N 98 116.731 116.731 107.017 9.714 19459 10584 1 16 . 1 1 98 98 GLY C C 98 176.923 176.923 174.194 2.729 19459 10585 1 16 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.166 -1.102 19459 10586 1 16 . 1 1 98 98 GLY H H 98 8.465 8.465 7.778 0.687 19459 10587 1 16 . 1 1 99 99 SER N N 99 116.632 116.632 116.658 -0.026 19459 10588 1 16 . 1 1 99 99 SER HA H 99 4.509 4.509 4.417 0.092 19459 10589 1 16 . 1 1 99 99 SER C C 99 175.013 175.013 175.497 -0.484 19459 10590 1 16 . 1 1 99 99 SER CA C 99 58.328 58.328 58.086 0.242 19459 10591 1 16 . 1 1 99 99 SER CB C 99 63.996 63.996 62.212 1.784 19459 10592 1 16 . 1 1 99 99 SER H H 99 8.759 8.759 8.482 0.277 19459 10593 1 16 . 1 1 100 100 SER N N 100 116.696 116.696 123.400 -6.704 19459 10594 1 16 . 1 1 100 100 SER HA H 100 4.447 4.447 4.316 0.131 19459 10595 1 16 . 1 1 100 100 SER C C 100 175.403 175.403 173.841 1.562 19459 10596 1 16 . 1 1 100 100 SER CA C 100 59.209 59.209 61.097 -1.888 19459 10597 1 16 . 1 1 100 100 SER CB C 100 64.035 64.035 63.797 0.238 19459 10598 1 16 . 1 1 100 100 SER H H 100 8.617 8.617 8.110 0.507 19459 10599 1 16 . 1 1 101 101 SER N N 101 115.247 115.247 112.624 2.623 19459 10600 1 16 . 1 1 101 101 SER HA H 101 5.346 5.346 5.434 -0.088 19459 10601 1 16 . 1 1 101 101 SER C C 101 176.888 176.888 172.972 3.916 19459 10602 1 16 . 1 1 101 101 SER CA C 101 57.021 57.021 56.386 0.635 19459 10603 1 16 . 1 1 101 101 SER CB C 101 66.391 66.391 66.468 -0.077 19459 10604 1 16 . 1 1 101 101 SER H H 101 7.952 7.952 7.584 0.368 19459 10605 1 16 . 1 1 102 102 ALA N N 102 121.438 121.438 124.134 -2.696 19459 10606 1 16 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.254 -0.167 19459 10607 1 16 . 1 1 102 102 ALA C C 102 173.807 173.807 176.327 -2.520 19459 10608 1 16 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.584 1.239 19459 10609 1 16 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.324 1.747 19459 10610 1 16 . 1 1 102 102 ALA H H 102 8.286 8.286 8.592 -0.306 19459 10611 1 16 . 1 1 103 103 THR N N 103 118.007 118.007 118.382 -0.375 19459 10612 1 16 . 1 1 103 103 THR HA H 103 5.560 5.560 5.399 0.161 19459 10613 1 16 . 1 1 103 103 THR C C 103 176.159 176.159 174.048 2.111 19459 10614 1 16 . 1 1 103 103 THR CA C 103 61.342 61.342 61.288 0.054 19459 10615 1 16 . 1 1 103 103 THR CB C 103 71.171 71.171 71.061 0.110 19459 10616 1 16 . 1 1 103 103 THR H H 103 9.636 9.636 9.767 -0.131 19459 10617 1 16 . 1 1 104 104 CYS N N 104 127.602 127.602 127.601 0.001 19459 10618 1 16 . 1 1 104 104 CYS HA H 104 4.366 4.366 5.063 -0.697 19459 10619 1 16 . 1 1 104 104 CYS C C 104 174.892 174.892 174.883 0.009 19459 10620 1 16 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.210 -3.731 19459 10621 1 16 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.187 12.998 19459 10622 1 16 . 1 1 104 104 CYS H H 104 8.338 8.338 8.532 -0.194 19459 10623 1 16 . 1 1 105 105 ILE N N 105 126.775 126.775 123.699 3.076 19459 10624 1 16 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.041 -0.132 19459 10625 1 16 . 1 1 105 105 ILE C C 105 174.390 174.390 173.899 0.491 19459 10626 1 16 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.751 1.470 19459 10627 1 16 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.382 1.140 19459 10628 1 16 . 1 1 105 105 ILE H H 105 9.375 9.375 9.297 0.078 19459 10629 1 16 . 1 1 106 106 ILE N N 106 118.256 118.256 122.868 -4.612 19459 10630 1 16 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.203 -0.133 19459 10631 1 16 . 1 1 106 106 ILE C C 106 172.560 172.560 176.900 -4.340 19459 10632 1 16 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.395 1.494 19459 10633 1 16 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.906 2.779 19459 10634 1 16 . 1 1 106 106 ILE H H 106 8.041 8.041 8.450 -0.409 19459 10635 1 16 . 1 1 107 107 SER N N 107 120.167 120.167 123.000 -2.833 19459 10636 1 16 . 1 1 107 107 SER HA H 107 4.376 4.376 4.434 -0.058 19459 10637 1 16 . 1 1 107 107 SER C C 107 174.594 174.594 175.461 -0.867 19459 10638 1 16 . 1 1 107 107 SER CA C 107 57.111 57.111 58.614 -1.503 19459 10639 1 16 . 1 1 107 107 SER CB C 107 63.835 63.835 64.211 -0.376 19459 10640 1 16 . 1 1 107 107 SER H H 107 8.013 8.013 8.942 -0.929 19459 10641 1 16 . 1 1 108 108 GLY N N 108 119.089 119.089 110.707 8.382 19459 10642 1 16 . 1 1 108 108 GLY C C 108 174.665 174.665 174.492 0.173 19459 10643 1 16 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.310 2.178 19459 10644 1 16 . 1 1 108 108 GLY H H 108 9.116 9.116 7.580 1.536 19459 10645 1 16 . 1 1 109 109 ASP N N 109 127.143 127.143 123.173 3.970 19459 10646 1 16 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.518 0.243 19459 10647 1 16 . 1 1 109 109 ASP C C 109 173.724 173.724 176.316 -2.592 19459 10648 1 16 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.585 -1.862 19459 10649 1 16 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.393 -0.161 19459 10650 1 16 . 1 1 109 109 ASP H H 109 8.845 8.845 8.548 0.297 19459 10651 1 16 . 1 1 110 110 THR N N 110 115.044 115.044 109.708 5.336 19459 10652 1 16 . 1 1 110 110 THR HA H 110 4.663 4.663 4.472 0.191 19459 10653 1 16 . 1 1 110 110 THR C C 110 175.636 175.636 172.458 3.178 19459 10654 1 16 . 1 1 110 110 THR CA C 110 58.612 58.612 60.369 -1.757 19459 10655 1 16 . 1 1 110 110 THR CB C 110 71.146 71.146 70.601 0.545 19459 10656 1 16 . 1 1 110 110 THR H H 110 8.134 8.134 7.536 0.598 19459 10657 1 16 . 1 1 111 111 VAL N N 111 115.728 115.728 118.836 -3.108 19459 10658 1 16 . 1 1 111 111 VAL HA H 111 5.315 5.315 5.098 0.217 19459 10659 1 16 . 1 1 111 111 VAL C C 111 174.752 174.752 175.116 -0.364 19459 10660 1 16 . 1 1 111 111 VAL CA C 111 58.641 58.641 59.552 -0.911 19459 10661 1 16 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.050 0.774 19459 10662 1 16 . 1 1 111 111 VAL H H 111 8.310 8.310 8.399 -0.089 19459 10663 1 16 . 1 1 112 112 ILE N N 112 117.116 117.116 118.965 -1.849 19459 10664 1 16 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.672 -0.166 19459 10665 1 16 . 1 1 112 112 ILE C C 112 174.637 174.637 174.116 0.521 19459 10666 1 16 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.702 0.793 19459 10667 1 16 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.386 1.805 19459 10668 1 16 . 1 1 112 112 ILE H H 112 8.945 8.945 8.792 0.153 19459 10669 1 16 . 1 1 113 113 TRP N N 113 121.755 121.755 121.607 0.148 19459 10670 1 16 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.060 0.047 19459 10671 1 16 . 1 1 113 113 TRP C C 113 170.413 170.413 177.074 -6.661 19459 10672 1 16 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.148 0.229 19459 10673 1 16 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.105 -0.809 19459 10674 1 16 . 1 1 113 113 TRP H H 113 7.567 7.567 8.657 -1.090 19459 10675 1 16 . 1 1 114 114 ASP N N 114 123.286 123.286 120.066 3.220 19459 10676 1 16 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.500 -0.293 19459 10677 1 16 . 1 1 114 114 ASP C C 114 174.083 174.083 176.317 -2.234 19459 10678 1 16 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.360 1.041 19459 10679 1 16 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.232 -1.083 19459 10680 1 16 . 1 1 114 114 ASP H H 114 9.451 9.451 8.420 1.031 19459 10681 1 16 . 1 1 115 115 GLN N N 115 116.139 116.139 119.587 -3.448 19459 10682 1 16 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.163 0.582 19459 10683 1 16 . 1 1 115 115 GLN C C 115 173.639 173.639 176.592 -2.953 19459 10684 1 16 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.374 -3.191 19459 10685 1 16 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.945 3.378 19459 10686 1 16 . 1 1 115 115 GLN H H 115 7.305 7.305 8.027 -0.722 19459 10687 1 16 . 1 1 116 116 GLU N N 116 120.881 120.881 123.912 -3.031 19459 10688 1 16 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.188 0.142 19459 10689 1 16 . 1 1 116 116 GLU C C 116 173.578 173.578 176.530 -2.952 19459 10690 1 16 . 1 1 116 116 GLU CA C 116 55.157 55.157 57.879 -2.721 19459 10691 1 16 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.069 0.146 19459 10692 1 16 . 1 1 116 116 GLU H H 116 8.615 8.615 8.591 0.024 19459 10693 1 16 . 1 1 117 117 THR N N 117 119.889 119.889 111.301 8.588 19459 10694 1 16 . 1 1 117 117 THR HA H 117 3.609 3.609 4.396 -0.786 19459 10695 1 16 . 1 1 117 117 THR C C 117 176.699 176.699 171.709 4.990 19459 10696 1 16 . 1 1 117 117 THR CA C 117 61.757 61.757 60.345 1.412 19459 10697 1 16 . 1 1 117 117 THR CB C 117 69.799 69.799 69.608 0.191 19459 10698 1 16 . 1 1 117 117 THR H H 117 8.075 8.075 7.521 0.554 19459 10699 1 16 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.398 0.134 19459 10700 1 16 . 1 1 118 118 PRO C C 118 175.300 175.300 175.930 -0.630 19459 10701 1 16 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.703 -0.343 19459 10702 1 16 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.124 0.764 19459 10703 1 16 . 1 1 119 119 ILE N N 119 114.729 114.729 121.264 -6.535 19459 10704 1 16 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.287 -0.000 19459 10705 1 16 . 1 1 119 119 ILE C C 119 174.748 174.748 174.985 -0.237 19459 10706 1 16 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.464 -1.222 19459 10707 1 16 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.866 -0.682 19459 10708 1 16 . 1 1 119 119 ILE H H 119 7.874 7.874 8.005 -0.131 19459 10709 1 16 . 1 1 120 120 CYS N N 120 123.444 123.444 126.998 -3.554 19459 10710 1 16 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.904 0.646 19459 10711 1 16 . 1 1 120 120 CYS C C 120 175.583 175.583 175.296 0.287 19459 10712 1 16 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.276 -4.582 19459 10713 1 16 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.071 14.379 19459 10714 1 16 . 1 1 120 120 CYS H H 120 8.583 8.583 8.706 -0.123 19459 10715 1 16 . 1 1 121 121 ASP N N 121 124.459 124.459 125.088 -0.629 19459 10716 1 16 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.499 0.808 19459 10717 1 16 . 1 1 121 121 ASP C C 121 174.495 174.495 176.343 -1.848 19459 10718 1 16 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.252 -3.035 19459 10719 1 16 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.507 2.897 19459 10720 1 16 . 1 1 121 121 ASP H H 121 9.309 9.309 8.616 0.693 19459 10721 1 17 . 1 1 2 2 CYS N N 2 117.967 117.967 118.675 -0.708 19459 10722 1 17 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.438 0.089 19459 10723 1 17 . 1 1 2 2 CYS C C 2 174.023 174.023 175.124 -1.101 19459 10724 1 17 . 1 1 2 2 CYS CA C 2 58.972 58.972 58.964 0.008 19459 10725 1 17 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.171 17.888 19459 10726 1 17 . 1 1 2 2 CYS H H 2 9.327 9.327 8.222 1.105 19459 10727 1 17 . 1 1 3 3 ASN N N 3 119.722 119.722 115.672 4.050 19459 10728 1 17 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.425 0.824 19459 10729 1 17 . 1 1 3 3 ASN C C 3 175.027 175.027 174.623 0.404 19459 10730 1 17 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.572 -1.059 19459 10731 1 17 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.721 1.922 19459 10732 1 17 . 1 1 3 3 ASN H H 3 8.686 8.686 8.265 0.421 19459 10733 1 17 . 1 1 4 4 ALA N N 4 122.403 122.403 118.508 3.895 19459 10734 1 17 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.603 -0.174 19459 10735 1 17 . 1 1 4 4 ALA C C 4 173.517 173.517 176.648 -3.131 19459 10736 1 17 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.378 -0.565 19459 10737 1 17 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.341 -1.355 19459 10738 1 17 . 1 1 4 4 ALA H H 4 8.401 8.401 8.188 0.213 19459 10739 1 17 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.493 -0.585 19459 10740 1 17 . 1 1 5 5 PRO C C 5 172.806 172.806 176.874 -4.068 19459 10741 1 17 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.807 -1.356 19459 10742 1 17 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.252 -0.699 19459 10743 1 17 . 1 1 6 6 GLU N N 6 121.296 121.296 114.699 6.597 19459 10744 1 17 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.393 -0.202 19459 10745 1 17 . 1 1 6 6 GLU C C 6 172.835 172.835 173.903 -1.068 19459 10746 1 17 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.621 0.554 19459 10747 1 17 . 1 1 6 6 GLU CB C 6 29.964 29.964 30.008 -0.044 19459 10748 1 17 . 1 1 6 6 GLU H H 6 8.443 8.443 8.022 0.421 19459 10749 1 17 . 1 1 7 7 TRP N N 7 124.746 124.746 123.670 1.076 19459 10750 1 17 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.740 -0.808 19459 10751 1 17 . 1 1 7 7 TRP C C 7 174.236 174.236 174.813 -0.577 19459 10752 1 17 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.245 2.667 19459 10753 1 17 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.853 -0.820 19459 10754 1 17 . 1 1 7 7 TRP H H 7 8.674 8.674 8.494 0.180 19459 10755 1 17 . 1 1 8 8 LEU N N 8 125.782 125.782 130.789 -5.007 19459 10756 1 17 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.356 0.200 19459 10757 1 17 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.558 -0.593 19459 10758 1 17 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.801 -0.908 19459 10759 1 17 . 1 1 8 8 LEU H H 8 7.922 7.922 8.058 -0.136 19459 10760 1 17 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.055 0.543 19459 10761 1 17 . 1 1 9 9 PRO C C 9 172.961 172.961 177.843 -4.882 19459 10762 1 17 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.369 -0.829 19459 10763 1 17 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.164 0.273 19459 10764 1 17 . 1 1 10 10 PHE N N 10 106.863 106.863 115.351 -8.488 19459 10765 1 17 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.107 -0.498 19459 10766 1 17 . 1 1 10 10 PHE C C 10 175.535 175.535 175.548 -0.013 19459 10767 1 17 . 1 1 10 10 PHE CA C 10 53.857 53.857 57.673 -3.816 19459 10768 1 17 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.977 2.798 19459 10769 1 17 . 1 1 10 10 PHE H H 10 5.588 5.588 7.497 -1.909 19459 10770 1 17 . 1 1 11 11 ALA N N 11 121.214 121.214 118.741 2.473 19459 10771 1 17 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.059 0.084 19459 10772 1 17 . 1 1 11 11 ALA C C 11 175.918 175.918 175.054 0.864 19459 10773 1 17 . 1 1 11 11 ALA CA C 11 51.868 51.868 51.001 0.867 19459 10774 1 17 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.095 2.635 19459 10775 1 17 . 1 1 11 11 ALA H H 11 6.349 6.349 7.256 -0.907 19459 10776 1 17 . 1 1 12 12 ARG N N 12 117.160 117.160 121.758 -4.598 19459 10777 1 17 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.755 -0.058 19459 10778 1 17 . 1 1 12 12 ARG C C 12 178.499 178.499 173.464 5.035 19459 10779 1 17 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.531 1.334 19459 10780 1 17 . 1 1 12 12 ARG H H 12 9.219 9.219 7.781 1.438 19459 10781 1 17 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.576 -0.907 19459 10782 1 17 . 1 1 13 13 PRO C C 13 171.555 171.555 177.909 -6.354 19459 10783 1 17 . 1 1 13 13 PRO CA C 13 61.381 61.381 61.982 -0.601 19459 10784 1 17 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.180 -0.632 19459 10785 1 17 . 1 1 14 14 THR N N 14 112.823 112.823 114.498 -1.675 19459 10786 1 17 . 1 1 14 14 THR HA H 14 3.905 3.905 3.991 -0.086 19459 10787 1 17 . 1 1 14 14 THR C C 14 174.364 174.364 175.982 -1.618 19459 10788 1 17 . 1 1 14 14 THR CA C 14 63.180 63.180 65.082 -1.902 19459 10789 1 17 . 1 1 14 14 THR CB C 14 68.154 68.154 68.971 -0.816 19459 10790 1 17 . 1 1 14 14 THR H H 14 8.062 8.062 8.189 -0.127 19459 10791 1 17 . 1 1 15 15 GLN N N 15 119.736 119.736 119.066 0.670 19459 10792 1 17 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.430 0.071 19459 10793 1 17 . 1 1 15 15 GLN C C 15 174.815 174.815 177.439 -2.624 19459 10794 1 17 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.782 -3.415 19459 10795 1 17 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.036 2.080 19459 10796 1 17 . 1 1 15 15 GLN H H 15 7.758 7.758 8.201 -0.443 19459 10797 1 17 . 1 1 16 16 LEU N N 16 124.583 124.583 120.883 3.700 19459 10798 1 17 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.087 0.274 19459 10799 1 17 . 1 1 16 16 LEU C C 16 172.167 172.167 178.396 -6.229 19459 10800 1 17 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.688 -2.392 19459 10801 1 17 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.796 0.238 19459 10802 1 17 . 1 1 16 16 LEU H H 16 8.458 8.458 7.826 0.632 19459 10803 1 17 . 1 1 17 17 THR N N 17 116.730 116.730 113.514 3.216 19459 10804 1 17 . 1 1 17 17 THR HA H 17 4.633 4.633 3.776 0.857 19459 10805 1 17 . 1 1 17 17 THR C C 17 175.703 175.703 175.295 0.408 19459 10806 1 17 . 1 1 17 17 THR CA C 17 60.358 60.358 65.400 -5.042 19459 10807 1 17 . 1 1 17 17 THR CB C 17 70.110 70.110 68.672 1.438 19459 10808 1 17 . 1 1 17 17 THR H H 17 8.325 8.325 7.920 0.405 19459 10809 1 17 . 1 1 18 18 ASP N N 18 122.839 122.839 118.556 4.283 19459 10810 1 17 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.728 0.014 19459 10811 1 17 . 1 1 18 18 ASP C C 18 173.642 173.642 176.063 -2.421 19459 10812 1 17 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.989 -1.776 19459 10813 1 17 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.786 -1.865 19459 10814 1 17 . 1 1 18 18 ASP H H 18 8.487 8.487 7.787 0.700 19459 10815 1 17 . 1 1 19 19 GLU N N 19 120.523 120.523 118.702 1.821 19459 10816 1 17 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.312 -0.239 19459 10817 1 17 . 1 1 19 19 GLU C C 19 174.249 174.249 177.726 -3.477 19459 10818 1 17 . 1 1 19 19 GLU CA C 19 56.150 56.150 56.353 -0.203 19459 10819 1 17 . 1 1 19 19 GLU CB C 19 29.343 29.343 30.959 -1.616 19459 10820 1 17 . 1 1 19 19 GLU H H 19 7.931 7.931 7.173 0.758 19459 10821 1 17 . 1 1 20 20 PHE N N 20 118.500 118.500 112.773 5.727 19459 10822 1 17 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.297 0.449 19459 10823 1 17 . 1 1 20 20 PHE C C 20 174.885 174.885 174.763 0.122 19459 10824 1 17 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.089 -3.575 19459 10825 1 17 . 1 1 20 20 PHE CB C 20 40.483 40.483 37.859 2.624 19459 10826 1 17 . 1 1 20 20 PHE H H 20 8.279 8.279 7.906 0.373 19459 10827 1 17 . 1 1 21 21 GLU N N 21 117.080 117.080 120.070 -2.990 19459 10828 1 17 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.670 0.340 19459 10829 1 17 . 1 1 21 21 GLU C C 21 174.900 174.900 175.346 -0.446 19459 10830 1 17 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.912 -1.639 19459 10831 1 17 . 1 1 21 21 GLU CB C 21 31.373 31.373 30.669 0.704 19459 10832 1 17 . 1 1 21 21 GLU H H 21 7.022 7.022 7.472 -0.450 19459 10833 1 17 . 1 1 22 22 PHE N N 22 119.655 119.655 121.797 -2.142 19459 10834 1 17 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.882 0.087 19459 10835 1 17 . 1 1 22 22 PHE C C 22 176.708 176.708 173.178 3.530 19459 10836 1 17 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.100 -0.324 19459 10837 1 17 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.558 -0.812 19459 10838 1 17 . 1 1 22 22 PHE H H 22 8.974 8.974 8.350 0.624 19459 10839 1 17 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.907 -0.319 19459 10840 1 17 . 1 1 23 23 PRO C C 23 171.163 171.163 176.960 -5.797 19459 10841 1 17 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.334 0.083 19459 10842 1 17 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.390 0.265 19459 10843 1 17 . 1 1 24 24 ILE N N 24 123.238 123.238 121.196 2.042 19459 10844 1 17 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.605 -0.195 19459 10845 1 17 . 1 1 24 24 ILE C C 24 172.283 172.283 177.419 -5.136 19459 10846 1 17 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.681 1.365 19459 10847 1 17 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.054 0.395 19459 10848 1 17 . 1 1 24 24 ILE H H 24 8.199 8.199 8.481 -0.282 19459 10849 1 17 . 1 1 25 25 GLY N N 25 115.962 115.962 115.288 0.674 19459 10850 1 17 . 1 1 25 25 GLY C C 25 174.927 174.927 174.609 0.318 19459 10851 1 17 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.715 -0.292 19459 10852 1 17 . 1 1 25 25 GLY H H 25 9.061 9.061 8.476 0.585 19459 10853 1 17 . 1 1 26 26 THR N N 26 117.152 117.152 118.922 -1.770 19459 10854 1 17 . 1 1 26 26 THR HA H 26 4.081 4.081 4.357 -0.276 19459 10855 1 17 . 1 1 26 26 THR C C 26 176.723 176.723 173.652 3.071 19459 10856 1 17 . 1 1 26 26 THR CA C 26 65.711 65.711 63.876 1.835 19459 10857 1 17 . 1 1 26 26 THR CB C 26 70.084 70.084 69.567 0.517 19459 10858 1 17 . 1 1 26 26 THR H H 26 7.704 7.704 7.467 0.237 19459 10859 1 17 . 1 1 27 27 TYR N N 27 125.094 125.094 124.608 0.486 19459 10860 1 17 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.817 0.975 19459 10861 1 17 . 1 1 27 27 TYR C C 27 173.835 173.835 175.672 -1.837 19459 10862 1 17 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.812 -1.949 19459 10863 1 17 . 1 1 27 27 TYR CB C 27 40.876 40.876 40.099 0.777 19459 10864 1 17 . 1 1 27 27 TYR H H 27 8.542 8.542 8.619 -0.077 19459 10865 1 17 . 1 1 28 28 LEU N N 28 120.714 120.714 123.619 -2.905 19459 10866 1 17 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.569 0.215 19459 10867 1 17 . 1 1 28 28 LEU C C 28 172.808 172.808 175.930 -3.122 19459 10868 1 17 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.291 -0.108 19459 10869 1 17 . 1 1 28 28 LEU CB C 28 45.938 45.938 45.011 0.927 19459 10870 1 17 . 1 1 28 28 LEU H H 28 9.000 9.000 8.263 0.737 19459 10871 1 17 . 1 1 29 29 ASN N N 29 121.617 121.617 120.453 1.164 19459 10872 1 17 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.795 0.105 19459 10873 1 17 . 1 1 29 29 ASN C C 29 174.783 174.783 174.246 0.537 19459 10874 1 17 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.742 1.490 19459 10875 1 17 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.789 0.402 19459 10876 1 17 . 1 1 29 29 ASN H H 29 8.544 8.544 8.809 -0.265 19459 10877 1 17 . 1 1 30 30 TYR N N 30 126.738 126.738 125.385 1.353 19459 10878 1 17 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.656 0.030 19459 10879 1 17 . 1 1 30 30 TYR C C 30 174.911 174.911 175.249 -0.338 19459 10880 1 17 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.916 -0.015 19459 10881 1 17 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.610 4.232 19459 10882 1 17 . 1 1 30 30 TYR H H 30 9.324 9.324 8.019 1.305 19459 10883 1 17 . 1 1 31 31 GLU N N 31 114.116 114.116 121.814 -7.698 19459 10884 1 17 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.595 0.115 19459 10885 1 17 . 1 1 31 31 GLU C C 31 173.694 173.694 175.332 -1.638 19459 10886 1 17 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.863 -1.744 19459 10887 1 17 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.874 -0.249 19459 10888 1 17 . 1 1 31 31 GLU H H 31 8.553 8.553 8.416 0.137 19459 10889 1 17 . 1 1 32 32 CYS N N 32 121.086 121.086 122.397 -1.311 19459 10890 1 17 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.530 0.521 19459 10891 1 17 . 1 1 32 32 CYS C C 32 173.553 173.553 175.962 -2.409 19459 10892 1 17 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.954 -4.474 19459 10893 1 17 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.008 9.479 19459 10894 1 17 . 1 1 32 32 CYS H H 32 9.784 9.784 9.045 0.739 19459 10895 1 17 . 1 1 33 33 ARG N N 33 123.418 123.418 123.454 -0.036 19459 10896 1 17 . 1 1 33 33 ARG C C 33 176.822 176.822 174.922 1.900 19459 10897 1 17 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.757 0.554 19459 10898 1 17 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.867 -0.524 19459 10899 1 17 . 1 1 33 33 ARG H H 33 7.898 7.898 8.301 -0.403 19459 10900 1 17 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.418 -0.038 19459 10901 1 17 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.965 0.090 19459 10902 1 17 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.826 -0.491 19459 10903 1 17 . 1 1 35 35 GLY N N 35 111.039 111.039 109.318 1.721 19459 10904 1 17 . 1 1 35 35 GLY C C 35 177.546 177.546 174.188 3.358 19459 10905 1 17 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.640 -0.741 19459 10906 1 17 . 1 1 35 35 GLY H H 35 8.378 8.378 8.550 -0.172 19459 10907 1 17 . 1 1 36 36 TYR N N 36 116.682 116.682 118.893 -2.211 19459 10908 1 17 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.687 0.334 19459 10909 1 17 . 1 1 36 36 TYR C C 36 174.005 174.005 176.421 -2.416 19459 10910 1 17 . 1 1 36 36 TYR CA C 36 56.495 56.495 58.068 -1.573 19459 10911 1 17 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.985 1.996 19459 10912 1 17 . 1 1 36 36 TYR H H 36 8.175 8.175 7.480 0.695 19459 10913 1 17 . 1 1 37 37 SER N N 37 115.855 115.855 118.263 -2.408 19459 10914 1 17 . 1 1 37 37 SER HA H 37 4.819 4.819 4.427 0.392 19459 10915 1 17 . 1 1 37 37 SER C C 37 175.442 175.442 175.068 0.374 19459 10916 1 17 . 1 1 37 37 SER CA C 37 56.534 56.534 59.100 -2.566 19459 10917 1 17 . 1 1 37 37 SER CB C 37 65.642 65.642 63.866 1.776 19459 10918 1 17 . 1 1 37 37 SER H H 37 9.711 9.711 8.301 1.410 19459 10919 1 17 . 1 1 38 38 GLY N N 38 113.435 113.435 110.364 3.071 19459 10920 1 17 . 1 1 38 38 GLY C C 38 175.876 175.876 173.726 2.150 19459 10921 1 17 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.633 0.635 19459 10922 1 17 . 1 1 38 38 GLY H H 38 8.288 8.288 7.762 0.526 19459 10923 1 17 . 1 1 39 39 ARG N N 39 124.199 124.199 119.700 4.499 19459 10924 1 17 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.767 -0.028 19459 10925 1 17 . 1 1 39 39 ARG C C 39 175.413 175.413 176.133 -0.720 19459 10926 1 17 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.410 2.330 19459 10927 1 17 . 1 1 39 39 ARG CB C 39 29.634 29.634 29.396 0.238 19459 10928 1 17 . 1 1 39 39 ARG H H 39 8.350 8.350 8.252 0.098 19459 10929 1 17 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.367 0.291 19459 10930 1 17 . 1 1 40 40 PRO C C 40 173.702 173.702 177.404 -3.702 19459 10931 1 17 . 1 1 40 40 PRO CA C 40 64.470 64.470 64.043 0.427 19459 10932 1 17 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.115 0.073 19459 10933 1 17 . 1 1 41 41 PHE N N 41 118.388 118.388 118.635 -0.247 19459 10934 1 17 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.092 1.071 19459 10935 1 17 . 1 1 41 41 PHE C C 41 176.886 176.886 174.738 2.148 19459 10936 1 17 . 1 1 41 41 PHE CA C 41 55.566 55.566 59.614 -4.048 19459 10937 1 17 . 1 1 41 41 PHE CB C 41 41.264 41.264 38.924 2.340 19459 10938 1 17 . 1 1 41 41 PHE H H 41 8.017 8.017 7.917 0.100 19459 10939 1 17 . 1 1 42 42 SER N N 42 114.056 114.056 113.009 1.047 19459 10940 1 17 . 1 1 42 42 SER HA H 42 5.771 5.771 5.538 0.233 19459 10941 1 17 . 1 1 42 42 SER C C 42 174.978 174.978 173.335 1.643 19459 10942 1 17 . 1 1 42 42 SER CA C 42 56.668 56.668 56.812 -0.144 19459 10943 1 17 . 1 1 42 42 SER CB C 42 66.152 66.152 65.876 0.275 19459 10944 1 17 . 1 1 42 42 SER H H 42 8.540 8.540 6.744 1.796 19459 10945 1 17 . 1 1 43 43 ILE N N 43 115.669 115.669 118.992 -3.323 19459 10946 1 17 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.399 0.666 19459 10947 1 17 . 1 1 43 43 ILE C C 43 174.535 174.535 174.386 0.149 19459 10948 1 17 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.542 -0.498 19459 10949 1 17 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.796 1.559 19459 10950 1 17 . 1 1 43 43 ILE H H 43 8.637 8.637 7.716 0.921 19459 10951 1 17 . 1 1 44 44 ILE N N 44 120.215 120.215 125.359 -5.144 19459 10952 1 17 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.127 0.159 19459 10953 1 17 . 1 1 44 44 ILE C C 44 174.033 174.033 176.568 -2.535 19459 10954 1 17 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.508 1.148 19459 10955 1 17 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.007 2.323 19459 10956 1 17 . 1 1 44 44 ILE H H 44 8.687 8.687 8.131 0.556 19459 10957 1 17 . 1 1 45 45 CYS N N 45 126.257 126.257 126.559 -0.302 19459 10958 1 17 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.147 -0.395 19459 10959 1 17 . 1 1 45 45 CYS C C 45 174.946 174.946 175.480 -0.534 19459 10960 1 17 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.400 -5.334 19459 10961 1 17 . 1 1 45 45 CYS CB C 45 38.611 38.611 24.050 14.561 19459 10962 1 17 . 1 1 45 45 CYS H H 45 7.993 7.993 8.634 -0.641 19459 10963 1 17 . 1 1 46 46 LEU N N 46 132.514 132.514 125.236 7.278 19459 10964 1 17 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.422 -0.006 19459 10965 1 17 . 1 1 46 46 LEU C C 46 172.195 172.195 177.191 -4.996 19459 10966 1 17 . 1 1 46 46 LEU CA C 46 54.344 54.344 55.260 -0.916 19459 10967 1 17 . 1 1 46 46 LEU CB C 46 44.204 44.204 43.354 0.850 19459 10968 1 17 . 1 1 46 46 LEU H H 46 8.826 8.826 7.303 1.523 19459 10969 1 17 . 1 1 47 47 LYS N N 47 115.254 115.254 121.076 -5.822 19459 10970 1 17 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.239 -0.251 19459 10971 1 17 . 1 1 47 47 LYS C C 47 173.781 173.781 176.385 -2.604 19459 10972 1 17 . 1 1 47 47 LYS CA C 47 57.983 57.983 56.914 1.069 19459 10973 1 17 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.129 -0.921 19459 10974 1 17 . 1 1 47 47 LYS H H 47 7.949 7.949 8.641 -0.692 19459 10975 1 17 . 1 1 48 48 ASN N N 48 115.283 115.283 123.213 -7.930 19459 10976 1 17 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.392 0.144 19459 10977 1 17 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.961 -0.421 19459 10978 1 17 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.693 -1.321 19459 10979 1 17 . 1 1 48 48 ASN H H 48 8.432 8.432 9.236 -0.804 19459 10980 1 17 . 1 1 49 49 SER N N 49 110.595 110.595 106.750 3.845 19459 10981 1 17 . 1 1 49 49 SER HA H 49 3.969 3.969 3.989 -0.020 19459 10982 1 17 . 1 1 49 49 SER CA C 49 59.790 59.790 60.032 -0.242 19459 10983 1 17 . 1 1 49 49 SER CB C 49 60.870 60.870 62.163 -1.293 19459 10984 1 17 . 1 1 49 49 SER H H 49 8.457 8.457 8.082 0.375 19459 10985 1 17 . 1 1 50 50 VAL N N 50 117.680 117.680 119.165 -1.485 19459 10986 1 17 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.725 0.608 19459 10987 1 17 . 1 1 50 50 VAL C C 50 175.347 175.347 176.052 -0.705 19459 10988 1 17 . 1 1 50 50 VAL CA C 50 59.884 59.884 65.391 -5.507 19459 10989 1 17 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.584 2.252 19459 10990 1 17 . 1 1 50 50 VAL H H 50 6.840 6.840 7.906 -1.066 19459 10991 1 17 . 1 1 51 51 TRP N N 51 123.510 123.510 114.942 8.568 19459 10992 1 17 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.060 0.262 19459 10993 1 17 . 1 1 51 51 TRP C C 51 170.736 170.736 175.947 -5.211 19459 10994 1 17 . 1 1 51 51 TRP CA C 51 55.937 55.937 57.105 -1.168 19459 10995 1 17 . 1 1 51 51 TRP CB C 51 30.791 30.791 31.943 -1.152 19459 10996 1 17 . 1 1 51 51 TRP H H 51 8.310 8.310 7.342 0.968 19459 10997 1 17 . 1 1 52 52 THR N N 52 115.962 115.962 111.670 4.292 19459 10998 1 17 . 1 1 52 52 THR HA H 52 4.656 4.656 4.410 0.246 19459 10999 1 17 . 1 1 52 52 THR C C 52 175.780 175.780 175.262 0.518 19459 11000 1 17 . 1 1 52 52 THR CA C 52 61.376 61.376 62.713 -1.337 19459 11001 1 17 . 1 1 52 52 THR CB C 52 70.723 70.723 68.837 1.886 19459 11002 1 17 . 1 1 52 52 THR H H 52 9.026 9.026 8.635 0.391 19459 11003 1 17 . 1 1 53 53 GLY N N 53 108.521 108.521 109.214 -0.693 19459 11004 1 17 . 1 1 53 53 GLY C C 53 174.881 174.881 174.501 0.380 19459 11005 1 17 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.733 0.611 19459 11006 1 17 . 1 1 53 53 GLY H H 53 8.292 8.292 8.049 0.243 19459 11007 1 17 . 1 1 54 54 ALA N N 54 121.857 121.857 122.118 -0.261 19459 11008 1 17 . 1 1 54 54 ALA HA H 54 4.153 4.153 3.737 0.416 19459 11009 1 17 . 1 1 54 54 ALA C C 54 172.786 172.786 176.414 -3.628 19459 11010 1 17 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.857 -1.160 19459 11011 1 17 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.244 2.470 19459 11012 1 17 . 1 1 54 54 ALA H H 54 8.443 8.443 7.589 0.854 19459 11013 1 17 . 1 1 55 55 LYS N N 55 118.318 118.318 117.733 0.585 19459 11014 1 17 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.244 -0.500 19459 11015 1 17 . 1 1 55 55 LYS C C 55 172.519 172.519 176.432 -3.913 19459 11016 1 17 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.256 1.688 19459 11017 1 17 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.985 -0.353 19459 11018 1 17 . 1 1 55 55 LYS H H 55 7.612 7.612 7.747 -0.135 19459 11019 1 17 . 1 1 56 56 ASP N N 56 119.214 119.214 120.538 -1.324 19459 11020 1 17 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.512 -0.395 19459 11021 1 17 . 1 1 56 56 ASP C C 56 173.700 173.700 176.936 -3.236 19459 11022 1 17 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.479 -0.095 19459 11023 1 17 . 1 1 56 56 ASP CB C 56 39.170 39.170 40.344 -1.174 19459 11024 1 17 . 1 1 56 56 ASP H H 56 8.555 8.555 8.940 -0.385 19459 11025 1 17 . 1 1 57 57 ARG N N 57 116.006 116.006 117.623 -1.617 19459 11026 1 17 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.196 -0.316 19459 11027 1 17 . 1 1 57 57 ARG C C 57 171.638 171.638 176.085 -4.447 19459 11028 1 17 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.962 -2.035 19459 11029 1 17 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.603 1.554 19459 11030 1 17 . 1 1 57 57 ARG H H 57 7.352 7.352 8.414 -1.062 19459 11031 1 17 . 1 1 58 58 CYS N N 58 115.000 115.000 115.586 -0.586 19459 11032 1 17 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.716 0.858 19459 11033 1 17 . 1 1 58 58 CYS C C 58 175.576 175.576 173.303 2.273 19459 11034 1 17 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.876 -5.024 19459 11035 1 17 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.059 14.517 19459 11036 1 17 . 1 1 58 58 CYS H H 58 7.587 7.587 8.161 -0.574 19459 11037 1 17 . 1 1 59 59 ARG N N 59 123.440 123.440 120.701 2.739 19459 11038 1 17 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.666 0.094 19459 11039 1 17 . 1 1 59 59 ARG C C 59 173.566 173.566 175.295 -1.729 19459 11040 1 17 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.824 -0.585 19459 11041 1 17 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.440 -0.638 19459 11042 1 17 . 1 1 59 59 ARG H H 59 8.984 8.984 8.638 0.346 19459 11043 1 17 . 1 1 60 60 ARG N N 60 125.644 125.644 121.681 3.963 19459 11044 1 17 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.274 -0.623 19459 11045 1 17 . 1 1 60 60 ARG C C 60 172.119 172.119 174.309 -2.190 19459 11046 1 17 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.622 3.676 19459 11047 1 17 . 1 1 60 60 ARG CB C 60 31.268 31.268 32.545 -1.277 19459 11048 1 17 . 1 1 60 60 ARG H H 60 9.163 9.163 8.392 0.771 19459 11049 1 17 . 1 1 61 61 LYS N N 61 124.217 124.217 122.260 1.957 19459 11050 1 17 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.469 -0.352 19459 11051 1 17 . 1 1 61 61 LYS C C 61 173.791 173.791 175.757 -1.966 19459 11052 1 17 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.403 2.795 19459 11053 1 17 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.690 0.524 19459 11054 1 17 . 1 1 61 61 LYS H H 61 8.601 8.601 8.229 0.372 19459 11055 1 17 . 1 1 62 62 SER N N 62 114.120 114.120 116.873 -2.753 19459 11056 1 17 . 1 1 62 62 SER HA H 62 4.765 4.765 4.486 0.279 19459 11057 1 17 . 1 1 62 62 SER C C 62 175.019 175.019 174.502 0.517 19459 11058 1 17 . 1 1 62 62 SER CA C 62 58.227 58.227 59.195 -0.968 19459 11059 1 17 . 1 1 62 62 SER CB C 62 65.387 65.387 63.960 1.427 19459 11060 1 17 . 1 1 62 62 SER H H 62 8.494 8.494 8.504 -0.010 19459 11061 1 17 . 1 1 63 63 CYS N N 63 122.858 122.858 120.823 2.035 19459 11062 1 17 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.571 -0.503 19459 11063 1 17 . 1 1 63 63 CYS C C 63 176.076 176.076 173.848 2.228 19459 11064 1 17 . 1 1 63 63 CYS CA C 63 61.267 61.267 56.583 4.684 19459 11065 1 17 . 1 1 63 63 CYS CB C 63 40.768 40.768 30.279 10.489 19459 11066 1 17 . 1 1 63 63 CYS H H 63 8.359 8.359 8.580 -0.221 19459 11067 1 17 . 1 1 64 64 ARG N N 64 118.145 118.145 119.218 -1.073 19459 11068 1 17 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.613 -0.447 19459 11069 1 17 . 1 1 64 64 ARG C C 64 173.077 173.077 174.962 -1.885 19459 11070 1 17 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.182 0.798 19459 11071 1 17 . 1 1 64 64 ARG CB C 64 30.459 30.459 31.916 -1.457 19459 11072 1 17 . 1 1 64 64 ARG H H 64 8.496 8.496 8.623 -0.127 19459 11073 1 17 . 1 1 65 65 ASN N N 65 122.302 122.302 119.493 2.809 19459 11074 1 17 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.258 -0.524 19459 11075 1 17 . 1 1 65 65 ASN C C 65 175.117 175.117 174.549 0.568 19459 11076 1 17 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.167 0.945 19459 11077 1 17 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.779 -1.412 19459 11078 1 17 . 1 1 65 65 ASN H H 65 8.691 8.691 9.002 -0.311 19459 11079 1 17 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.310 0.173 19459 11080 1 17 . 1 1 67 67 PRO C C 67 172.228 172.228 176.665 -4.437 19459 11081 1 17 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.513 -1.847 19459 11082 1 17 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.746 0.741 19459 11083 1 17 . 1 1 68 68 ASP N N 68 118.184 118.184 119.716 -1.532 19459 11084 1 17 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.362 0.280 19459 11085 1 17 . 1 1 68 68 ASP C C 68 173.951 173.951 174.274 -0.323 19459 11086 1 17 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.056 -0.877 19459 11087 1 17 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.946 0.553 19459 11088 1 17 . 1 1 68 68 ASP H H 68 8.201 8.201 8.102 0.099 19459 11089 1 17 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.504 -0.268 19459 11090 1 17 . 1 1 69 69 PRO C C 69 172.350 172.350 177.862 -5.512 19459 11091 1 17 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.449 -0.538 19459 11092 1 17 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.464 -1.229 19459 11093 1 17 . 1 1 70 70 VAL N N 70 125.745 125.745 121.267 4.478 19459 11094 1 17 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.689 -0.030 19459 11095 1 17 . 1 1 70 70 VAL C C 70 171.231 171.231 176.279 -5.048 19459 11096 1 17 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.821 -0.157 19459 11097 1 17 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.858 -1.007 19459 11098 1 17 . 1 1 70 70 VAL H H 70 8.251 8.251 8.703 -0.452 19459 11099 1 17 . 1 1 71 71 ASN N N 71 119.702 119.702 116.004 3.698 19459 11100 1 17 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.675 -0.674 19459 11101 1 17 . 1 1 71 71 ASN C C 71 176.167 176.167 175.839 0.328 19459 11102 1 17 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.589 2.931 19459 11103 1 17 . 1 1 71 71 ASN CB C 71 36.242 36.242 37.779 -1.537 19459 11104 1 17 . 1 1 71 71 ASN H H 71 8.994 8.994 7.825 1.169 19459 11105 1 17 . 1 1 72 72 GLY N N 72 104.254 104.254 107.959 -3.705 19459 11106 1 17 . 1 1 72 72 GLY C C 72 177.732 177.732 174.489 3.243 19459 11107 1 17 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.281 1.817 19459 11108 1 17 . 1 1 72 72 GLY H H 72 7.637 7.637 7.620 0.017 19459 11109 1 17 . 1 1 73 73 MET N N 73 116.529 116.529 117.358 -0.829 19459 11110 1 17 . 1 1 73 73 MET HA H 73 4.887 4.887 4.204 0.683 19459 11111 1 17 . 1 1 73 73 MET C C 73 175.128 175.128 177.002 -1.874 19459 11112 1 17 . 1 1 73 73 MET CA C 73 54.890 54.890 56.907 -2.017 19459 11113 1 17 . 1 1 73 73 MET CB C 73 36.837 36.837 33.075 3.763 19459 11114 1 17 . 1 1 73 73 MET H H 73 8.819 8.819 7.897 0.922 19459 11115 1 17 . 1 1 74 74 VAL N N 74 122.511 122.511 118.350 4.161 19459 11116 1 17 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.216 0.387 19459 11117 1 17 . 1 1 74 74 VAL C C 74 176.573 176.573 175.698 0.875 19459 11118 1 17 . 1 1 74 74 VAL CA C 74 59.009 59.009 62.025 -3.016 19459 11119 1 17 . 1 1 74 74 VAL CB C 74 34.502 34.502 31.842 2.660 19459 11120 1 17 . 1 1 74 74 VAL H H 74 8.796 8.796 7.465 1.331 19459 11121 1 17 . 1 1 75 75 HIS N N 75 125.200 125.200 127.391 -2.191 19459 11122 1 17 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.784 -0.070 19459 11123 1 17 . 1 1 75 75 HIS C C 75 175.500 175.500 173.626 1.874 19459 11124 1 17 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.903 -1.218 19459 11125 1 17 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.024 -3.016 19459 11126 1 17 . 1 1 75 75 HIS H H 75 8.977 8.977 7.953 1.024 19459 11127 1 17 . 1 1 76 76 VAL N N 76 127.456 127.456 124.805 2.651 19459 11128 1 17 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.197 -0.025 19459 11129 1 17 . 1 1 76 76 VAL C C 76 173.257 173.257 175.585 -2.328 19459 11130 1 17 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.172 1.026 19459 11131 1 17 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.321 -0.981 19459 11132 1 17 . 1 1 76 76 VAL H H 76 8.926 8.926 8.732 0.194 19459 11133 1 17 . 1 1 77 77 ILE N N 77 126.756 126.756 129.549 -2.793 19459 11134 1 17 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.869 0.282 19459 11135 1 17 . 1 1 77 77 ILE C C 77 172.744 172.744 177.109 -4.365 19459 11136 1 17 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.898 -0.964 19459 11137 1 17 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.225 0.947 19459 11138 1 17 . 1 1 77 77 ILE H H 77 7.978 7.978 8.496 -0.518 19459 11139 1 17 . 1 1 78 78 LYS N N 78 123.427 123.427 117.563 5.864 19459 11140 1 17 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.449 0.128 19459 11141 1 17 . 1 1 78 78 LYS C C 78 172.800 172.800 177.313 -4.513 19459 11142 1 17 . 1 1 78 78 LYS CA C 78 55.383 55.383 56.562 -1.179 19459 11143 1 17 . 1 1 78 78 LYS CB C 78 32.852 32.852 34.003 -1.151 19459 11144 1 17 . 1 1 78 78 LYS H H 78 9.415 9.415 8.203 1.212 19459 11145 1 17 . 1 1 79 79 GLY N N 79 108.777 108.777 106.763 2.014 19459 11146 1 17 . 1 1 79 79 GLY C C 79 176.221 176.221 173.908 2.313 19459 11147 1 17 . 1 1 79 79 GLY CA C 79 44.882 44.882 44.892 -0.010 19459 11148 1 17 . 1 1 79 79 GLY H H 79 7.857 7.857 7.781 0.076 19459 11149 1 17 . 1 1 80 80 ILE N N 80 109.131 109.131 118.876 -9.745 19459 11150 1 17 . 1 1 80 80 ILE HA H 80 4.958 4.958 3.873 1.085 19459 11151 1 17 . 1 1 80 80 ILE C C 80 174.883 174.883 174.077 0.806 19459 11152 1 17 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.544 -0.887 19459 11153 1 17 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.484 3.227 19459 11154 1 17 . 1 1 80 80 ILE H H 80 8.076 8.076 7.907 0.169 19459 11155 1 17 . 1 1 81 81 GLN N N 81 116.732 116.732 121.100 -4.368 19459 11156 1 17 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.490 0.176 19459 11157 1 17 . 1 1 81 81 GLN C C 81 172.989 172.989 173.758 -0.769 19459 11158 1 17 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.482 1.019 19459 11159 1 17 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.373 -1.699 19459 11160 1 17 . 1 1 81 81 GLN H H 81 7.682 7.682 7.624 0.058 19459 11161 1 17 . 1 1 82 82 PHE N N 82 119.773 119.773 122.621 -2.848 19459 11162 1 17 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.184 -0.304 19459 11163 1 17 . 1 1 82 82 PHE C C 82 173.680 173.680 176.241 -2.561 19459 11164 1 17 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.129 -0.444 19459 11165 1 17 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.745 0.374 19459 11166 1 17 . 1 1 82 82 PHE H H 82 8.615 8.615 8.114 0.501 19459 11167 1 17 . 1 1 83 83 GLY N N 83 119.507 119.507 115.151 4.356 19459 11168 1 17 . 1 1 83 83 GLY C C 83 174.662 174.662 173.441 1.221 19459 11169 1 17 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.805 -0.314 19459 11170 1 17 . 1 1 83 83 GLY H H 83 9.086 9.086 8.041 1.045 19459 11171 1 17 . 1 1 84 84 SER N N 84 118.128 118.128 116.222 1.906 19459 11172 1 17 . 1 1 84 84 SER HA H 84 4.415 4.415 4.690 -0.275 19459 11173 1 17 . 1 1 84 84 SER C C 84 177.247 177.247 172.694 4.553 19459 11174 1 17 . 1 1 84 84 SER CA C 84 60.111 60.111 57.267 2.844 19459 11175 1 17 . 1 1 84 84 SER CB C 84 64.281 64.281 65.296 -1.015 19459 11176 1 17 . 1 1 84 84 SER H H 84 8.573 8.573 7.793 0.780 19459 11177 1 17 . 1 1 85 85 GLN N N 85 119.913 119.913 127.765 -7.852 19459 11178 1 17 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.888 -0.069 19459 11179 1 17 . 1 1 85 85 GLN C C 85 172.795 172.795 174.697 -1.902 19459 11180 1 17 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.299 -0.134 19459 11181 1 17 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.221 0.523 19459 11182 1 17 . 1 1 85 85 GLN H H 85 8.211 8.211 8.805 -0.594 19459 11183 1 17 . 1 1 86 86 ILE N N 86 119.724 119.724 120.871 -1.147 19459 11184 1 17 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.107 -0.350 19459 11185 1 17 . 1 1 86 86 ILE C C 86 174.969 174.969 173.538 1.431 19459 11186 1 17 . 1 1 86 86 ILE CA C 86 59.827 59.827 57.869 1.958 19459 11187 1 17 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.802 -1.008 19459 11188 1 17 . 1 1 86 86 ILE H H 86 9.215 9.215 9.110 0.105 19459 11189 1 17 . 1 1 87 87 LYS N N 87 117.135 117.135 120.565 -3.430 19459 11190 1 17 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.824 0.411 19459 11191 1 17 . 1 1 87 87 LYS C C 87 174.599 174.599 175.515 -0.916 19459 11192 1 17 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.715 -1.002 19459 11193 1 17 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.690 2.137 19459 11194 1 17 . 1 1 87 87 LYS H H 87 7.600 7.600 8.551 -0.951 19459 11195 1 17 . 1 1 88 88 TYR N N 88 119.004 119.004 122.629 -3.625 19459 11196 1 17 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.718 0.704 19459 11197 1 17 . 1 1 88 88 TYR C C 88 174.407 174.407 174.607 -0.200 19459 11198 1 17 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.303 0.632 19459 11199 1 17 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.155 5.804 19459 11200 1 17 . 1 1 88 88 TYR H H 88 8.601 8.601 9.365 -0.764 19459 11201 1 17 . 1 1 89 89 SER N N 89 113.228 113.228 115.913 -2.685 19459 11202 1 17 . 1 1 89 89 SER HA H 89 4.668 4.668 4.707 -0.039 19459 11203 1 17 . 1 1 89 89 SER C C 89 177.136 177.136 174.135 3.001 19459 11204 1 17 . 1 1 89 89 SER CA C 89 57.291 57.291 57.420 -0.129 19459 11205 1 17 . 1 1 89 89 SER CB C 89 66.534 66.534 64.166 2.368 19459 11206 1 17 . 1 1 89 89 SER H H 89 9.007 9.007 8.168 0.839 19459 11207 1 17 . 1 1 90 90 CYS N N 90 116.009 116.009 119.097 -3.088 19459 11208 1 17 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.530 0.891 19459 11209 1 17 . 1 1 90 90 CYS C C 90 173.812 173.812 174.466 -0.654 19459 11210 1 17 . 1 1 90 90 CYS CA C 90 53.084 53.084 57.668 -4.584 19459 11211 1 17 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.398 13.006 19459 11212 1 17 . 1 1 90 90 CYS H H 90 8.806 8.806 7.310 1.496 19459 11213 1 17 . 1 1 91 91 THR N N 91 120.813 120.813 115.319 5.494 19459 11214 1 17 . 1 1 91 91 THR HA H 91 3.994 3.994 4.349 -0.355 19459 11215 1 17 . 1 1 91 91 THR C C 91 176.445 176.445 174.534 1.911 19459 11216 1 17 . 1 1 91 91 THR CA C 91 63.440 63.440 62.255 1.185 19459 11217 1 17 . 1 1 91 91 THR CB C 91 69.608 69.608 69.893 -0.285 19459 11218 1 17 . 1 1 91 91 THR H H 91 8.737 8.737 7.186 1.551 19459 11219 1 17 . 1 1 92 92 LYS N N 92 124.963 124.963 122.321 2.642 19459 11220 1 17 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.187 -0.083 19459 11221 1 17 . 1 1 92 92 LYS C C 92 172.310 172.310 178.180 -5.870 19459 11222 1 17 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.446 0.441 19459 11223 1 17 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.508 -0.369 19459 11224 1 17 . 1 1 92 92 LYS H H 92 8.325 8.325 8.451 -0.126 19459 11225 1 17 . 1 1 93 93 GLY N N 93 113.608 113.608 107.839 5.769 19459 11226 1 17 . 1 1 93 93 GLY C C 93 175.127 175.127 172.971 2.156 19459 11227 1 17 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.339 0.372 19459 11228 1 17 . 1 1 93 93 GLY H H 93 8.827 8.827 8.283 0.544 19459 11229 1 17 . 1 1 94 94 TYR N N 94 119.900 119.900 119.722 0.178 19459 11230 1 17 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.866 -0.224 19459 11231 1 17 . 1 1 94 94 TYR C C 94 174.548 174.548 173.035 1.513 19459 11232 1 17 . 1 1 94 94 TYR CA C 94 57.158 57.158 56.282 0.876 19459 11233 1 17 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.229 -0.035 19459 11234 1 17 . 1 1 94 94 TYR H H 94 8.281 8.281 7.802 0.479 19459 11235 1 17 . 1 1 95 95 ARG N N 95 122.431 122.431 119.981 2.450 19459 11236 1 17 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.076 0.452 19459 11237 1 17 . 1 1 95 95 ARG C C 95 175.179 175.179 173.636 1.543 19459 11238 1 17 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.147 0.406 19459 11239 1 17 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.886 -0.686 19459 11240 1 17 . 1 1 95 95 ARG H H 95 9.608 9.608 8.228 1.380 19459 11241 1 17 . 1 1 96 96 LEU N N 96 125.652 125.652 123.057 2.595 19459 11242 1 17 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.876 -0.214 19459 11243 1 17 . 1 1 96 96 LEU C C 96 172.420 172.420 176.493 -4.073 19459 11244 1 17 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.242 2.261 19459 11245 1 17 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.483 -0.677 19459 11246 1 17 . 1 1 96 96 LEU H H 96 8.231 8.231 8.304 -0.073 19459 11247 1 17 . 1 1 97 97 ILE N N 97 131.597 131.597 125.785 5.812 19459 11248 1 17 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.967 0.273 19459 11249 1 17 . 1 1 97 97 ILE C C 97 174.158 174.158 176.914 -2.756 19459 11250 1 17 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.393 -1.224 19459 11251 1 17 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.800 0.003 19459 11252 1 17 . 1 1 97 97 ILE H H 97 9.661 9.661 7.945 1.716 19459 11253 1 17 . 1 1 98 98 GLY N N 98 116.731 116.731 106.866 9.865 19459 11254 1 17 . 1 1 98 98 GLY C C 98 176.923 176.923 173.910 3.013 19459 11255 1 17 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.004 -0.940 19459 11256 1 17 . 1 1 98 98 GLY H H 98 8.465 8.465 7.722 0.743 19459 11257 1 17 . 1 1 99 99 SER N N 99 116.632 116.632 116.650 -0.018 19459 11258 1 17 . 1 1 99 99 SER HA H 99 4.509 4.509 4.467 0.042 19459 11259 1 17 . 1 1 99 99 SER C C 99 175.013 175.013 174.660 0.353 19459 11260 1 17 . 1 1 99 99 SER CA C 99 58.328 58.328 58.494 -0.166 19459 11261 1 17 . 1 1 99 99 SER CB C 99 63.996 63.996 62.662 1.334 19459 11262 1 17 . 1 1 99 99 SER H H 99 8.759 8.759 8.562 0.197 19459 11263 1 17 . 1 1 100 100 SER N N 100 116.696 116.696 121.038 -4.342 19459 11264 1 17 . 1 1 100 100 SER HA H 100 4.447 4.447 4.304 0.143 19459 11265 1 17 . 1 1 100 100 SER C C 100 175.403 175.403 174.501 0.902 19459 11266 1 17 . 1 1 100 100 SER CA C 100 59.209 59.209 60.530 -1.321 19459 11267 1 17 . 1 1 100 100 SER CB C 100 64.035 64.035 63.516 0.520 19459 11268 1 17 . 1 1 100 100 SER H H 100 8.617 8.617 8.703 -0.086 19459 11269 1 17 . 1 1 101 101 SER N N 101 115.247 115.247 113.483 1.764 19459 11270 1 17 . 1 1 101 101 SER HA H 101 5.346 5.346 5.283 0.063 19459 11271 1 17 . 1 1 101 101 SER C C 101 176.888 176.888 173.298 3.590 19459 11272 1 17 . 1 1 101 101 SER CA C 101 57.021 57.021 57.111 -0.090 19459 11273 1 17 . 1 1 101 101 SER CB C 101 66.391 66.391 66.147 0.244 19459 11274 1 17 . 1 1 101 101 SER H H 101 7.952 7.952 7.651 0.301 19459 11275 1 17 . 1 1 102 102 ALA N N 102 121.438 121.438 125.950 -4.512 19459 11276 1 17 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.936 0.151 19459 11277 1 17 . 1 1 102 102 ALA C C 102 173.807 173.807 175.731 -1.924 19459 11278 1 17 . 1 1 102 102 ALA CA C 102 51.823 51.823 50.684 1.139 19459 11279 1 17 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.321 1.750 19459 11280 1 17 . 1 1 102 102 ALA H H 102 8.286 8.286 8.980 -0.694 19459 11281 1 17 . 1 1 103 103 THR N N 103 118.007 118.007 116.929 1.078 19459 11282 1 17 . 1 1 103 103 THR HA H 103 5.560 5.560 5.345 0.215 19459 11283 1 17 . 1 1 103 103 THR C C 103 176.159 176.159 174.504 1.655 19459 11284 1 17 . 1 1 103 103 THR CA C 103 61.342 61.342 61.373 -0.031 19459 11285 1 17 . 1 1 103 103 THR CB C 103 71.171 71.171 70.973 0.198 19459 11286 1 17 . 1 1 103 103 THR H H 103 9.636 9.636 8.535 1.101 19459 11287 1 17 . 1 1 104 104 CYS N N 104 127.602 127.602 126.771 0.831 19459 11288 1 17 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.399 -0.033 19459 11289 1 17 . 1 1 104 104 CYS C C 104 174.892 174.892 175.115 -0.223 19459 11290 1 17 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.725 -4.246 19459 11291 1 17 . 1 1 104 104 CYS CB C 104 39.185 39.185 25.354 13.831 19459 11292 1 17 . 1 1 104 104 CYS H H 104 8.338 8.338 8.827 -0.489 19459 11293 1 17 . 1 1 105 105 ILE N N 105 126.775 126.775 120.807 5.968 19459 11294 1 17 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.094 -0.185 19459 11295 1 17 . 1 1 105 105 ILE C C 105 174.390 174.390 173.920 0.470 19459 11296 1 17 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.951 1.270 19459 11297 1 17 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.858 0.664 19459 11298 1 17 . 1 1 105 105 ILE H H 105 9.375 9.375 9.220 0.155 19459 11299 1 17 . 1 1 106 106 ILE N N 106 118.256 118.256 121.923 -3.667 19459 11300 1 17 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.162 -0.092 19459 11301 1 17 . 1 1 106 106 ILE C C 106 172.560 172.560 176.408 -3.848 19459 11302 1 17 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.410 1.479 19459 11303 1 17 . 1 1 106 106 ILE CB C 106 39.685 39.685 35.654 4.032 19459 11304 1 17 . 1 1 106 106 ILE H H 106 8.041 8.041 8.518 -0.477 19459 11305 1 17 . 1 1 107 107 SER N N 107 120.167 120.167 123.148 -2.981 19459 11306 1 17 . 1 1 107 107 SER HA H 107 4.376 4.376 4.225 0.151 19459 11307 1 17 . 1 1 107 107 SER C C 107 174.594 174.594 174.950 -0.356 19459 11308 1 17 . 1 1 107 107 SER CA C 107 57.111 57.111 60.608 -3.497 19459 11309 1 17 . 1 1 107 107 SER CB C 107 63.835 63.835 64.305 -0.470 19459 11310 1 17 . 1 1 107 107 SER H H 107 8.013 8.013 9.005 -0.992 19459 11311 1 17 . 1 1 108 108 GLY N N 108 119.089 119.089 107.853 11.236 19459 11312 1 17 . 1 1 108 108 GLY C C 108 174.665 174.665 173.113 1.552 19459 11313 1 17 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.696 1.792 19459 11314 1 17 . 1 1 108 108 GLY H H 108 9.116 9.116 7.836 1.280 19459 11315 1 17 . 1 1 109 109 ASP N N 109 127.143 127.143 119.682 7.461 19459 11316 1 17 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.661 0.100 19459 11317 1 17 . 1 1 109 109 ASP C C 109 173.724 173.724 175.222 -1.498 19459 11318 1 17 . 1 1 109 109 ASP CA C 109 53.723 53.723 54.115 -0.392 19459 11319 1 17 . 1 1 109 109 ASP CB C 109 41.232 41.232 40.975 0.257 19459 11320 1 17 . 1 1 109 109 ASP H H 109 8.845 8.845 8.403 0.442 19459 11321 1 17 . 1 1 110 110 THR N N 110 115.044 115.044 111.923 3.121 19459 11322 1 17 . 1 1 110 110 THR HA H 110 4.663 4.663 4.433 0.230 19459 11323 1 17 . 1 1 110 110 THR C C 110 175.636 175.636 172.348 3.288 19459 11324 1 17 . 1 1 110 110 THR CA C 110 58.612 58.612 61.128 -2.516 19459 11325 1 17 . 1 1 110 110 THR CB C 110 71.146 71.146 71.233 -0.087 19459 11326 1 17 . 1 1 110 110 THR H H 110 8.134 8.134 7.407 0.727 19459 11327 1 17 . 1 1 111 111 VAL N N 111 115.728 115.728 119.518 -3.790 19459 11328 1 17 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.936 0.379 19459 11329 1 17 . 1 1 111 111 VAL C C 111 174.752 174.752 174.338 0.414 19459 11330 1 17 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.266 -1.625 19459 11331 1 17 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.124 0.700 19459 11332 1 17 . 1 1 111 111 VAL H H 111 8.310 8.310 8.344 -0.034 19459 11333 1 17 . 1 1 112 112 ILE N N 112 117.116 117.116 118.218 -1.102 19459 11334 1 17 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.709 -0.203 19459 11335 1 17 . 1 1 112 112 ILE C C 112 174.637 174.637 174.373 0.264 19459 11336 1 17 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.726 0.769 19459 11337 1 17 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.800 1.391 19459 11338 1 17 . 1 1 112 112 ILE H H 112 8.945 8.945 8.697 0.248 19459 11339 1 17 . 1 1 113 113 TRP N N 113 121.755 121.755 120.825 0.930 19459 11340 1 17 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.212 -0.105 19459 11341 1 17 . 1 1 113 113 TRP C C 113 170.413 170.413 176.956 -6.543 19459 11342 1 17 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.615 -0.238 19459 11343 1 17 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.900 -0.604 19459 11344 1 17 . 1 1 113 113 TRP H H 113 7.567 7.567 8.539 -0.972 19459 11345 1 17 . 1 1 114 114 ASP N N 114 123.286 123.286 120.185 3.101 19459 11346 1 17 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.501 -0.294 19459 11347 1 17 . 1 1 114 114 ASP C C 114 174.083 174.083 176.575 -2.492 19459 11348 1 17 . 1 1 114 114 ASP CA C 114 55.401 55.401 56.401 -1.000 19459 11349 1 17 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.279 -1.131 19459 11350 1 17 . 1 1 114 114 ASP H H 114 9.451 9.451 8.568 0.883 19459 11351 1 17 . 1 1 115 115 GLN N N 115 116.139 116.139 118.154 -2.015 19459 11352 1 17 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.177 0.568 19459 11353 1 17 . 1 1 115 115 GLN C C 115 173.639 173.639 176.582 -2.943 19459 11354 1 17 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.672 -3.489 19459 11355 1 17 . 1 1 115 115 GLN CB C 115 32.323 32.323 28.713 3.610 19459 11356 1 17 . 1 1 115 115 GLN H H 115 7.305 7.305 7.862 -0.557 19459 11357 1 17 . 1 1 116 116 GLU N N 116 120.881 120.881 126.591 -5.710 19459 11358 1 17 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.179 0.151 19459 11359 1 17 . 1 1 116 116 GLU C C 116 173.578 173.578 176.911 -3.333 19459 11360 1 17 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.163 -3.006 19459 11361 1 17 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.398 -0.183 19459 11362 1 17 . 1 1 116 116 GLU H H 116 8.615 8.615 8.843 -0.228 19459 11363 1 17 . 1 1 117 117 THR N N 117 119.889 119.889 110.810 9.079 19459 11364 1 17 . 1 1 117 117 THR HA H 117 3.609 3.609 4.327 -0.718 19459 11365 1 17 . 1 1 117 117 THR C C 117 176.699 176.699 171.606 5.093 19459 11366 1 17 . 1 1 117 117 THR CA C 117 61.757 61.757 60.639 1.118 19459 11367 1 17 . 1 1 117 117 THR CB C 117 69.799 69.799 69.694 0.105 19459 11368 1 17 . 1 1 117 117 THR H H 117 8.075 8.075 7.503 0.572 19459 11369 1 17 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.210 0.322 19459 11370 1 17 . 1 1 118 118 PRO C C 118 175.300 175.300 175.868 -0.568 19459 11371 1 17 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.555 -0.195 19459 11372 1 17 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.916 0.972 19459 11373 1 17 . 1 1 119 119 ILE N N 119 114.729 114.729 121.825 -7.096 19459 11374 1 17 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.256 0.031 19459 11375 1 17 . 1 1 119 119 ILE C C 119 174.748 174.748 175.088 -0.340 19459 11376 1 17 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.625 -1.383 19459 11377 1 17 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.737 -0.553 19459 11378 1 17 . 1 1 119 119 ILE H H 119 7.874 7.874 7.889 -0.015 19459 11379 1 17 . 1 1 120 120 CYS N N 120 123.444 123.444 127.275 -3.831 19459 11380 1 17 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.870 0.680 19459 11381 1 17 . 1 1 120 120 CYS C C 120 175.583 175.583 175.392 0.191 19459 11382 1 17 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.725 -5.031 19459 11383 1 17 . 1 1 120 120 CYS CB C 120 41.450 41.450 29.250 12.200 19459 11384 1 17 . 1 1 120 120 CYS H H 120 8.583 8.583 9.001 -0.418 19459 11385 1 17 . 1 1 121 121 ASP N N 121 124.459 124.459 125.533 -1.074 19459 11386 1 17 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.468 0.839 19459 11387 1 17 . 1 1 121 121 ASP C C 121 174.495 174.495 176.015 -1.520 19459 11388 1 17 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.564 -3.347 19459 11389 1 17 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.611 2.792 19459 11390 1 17 . 1 1 121 121 ASP H H 121 9.309 9.309 9.315 -0.006 19459 11391 1 18 . 1 1 2 2 CYS N N 2 117.967 117.967 118.885 -0.918 19459 11392 1 18 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.769 -0.242 19459 11393 1 18 . 1 1 2 2 CYS C C 2 174.023 174.023 175.219 -1.196 19459 11394 1 18 . 1 1 2 2 CYS CA C 2 58.972 58.972 58.661 0.311 19459 11395 1 18 . 1 1 2 2 CYS CB C 2 45.059 45.059 26.911 18.148 19459 11396 1 18 . 1 1 2 2 CYS H H 2 9.327 9.327 8.482 0.845 19459 11397 1 18 . 1 1 3 3 ASN N N 3 119.722 119.722 118.022 1.700 19459 11398 1 18 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.611 0.638 19459 11399 1 18 . 1 1 3 3 ASN C C 3 175.027 175.027 174.122 0.905 19459 11400 1 18 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.505 -0.992 19459 11401 1 18 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.280 2.363 19459 11402 1 18 . 1 1 3 3 ASN H H 3 8.686 8.686 8.351 0.335 19459 11403 1 18 . 1 1 4 4 ALA N N 4 122.403 122.403 118.207 4.196 19459 11404 1 18 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.676 -0.247 19459 11405 1 18 . 1 1 4 4 ALA C C 4 173.517 173.517 176.267 -2.750 19459 11406 1 18 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.498 -0.685 19459 11407 1 18 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.422 -1.435 19459 11408 1 18 . 1 1 4 4 ALA H H 4 8.401 8.401 8.240 0.161 19459 11409 1 18 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.675 -0.767 19459 11410 1 18 . 1 1 5 5 PRO C C 5 172.806 172.806 177.115 -4.309 19459 11411 1 18 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.478 -2.027 19459 11412 1 18 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.340 -0.788 19459 11413 1 18 . 1 1 6 6 GLU N N 6 121.296 121.296 115.143 6.153 19459 11414 1 18 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.403 -0.212 19459 11415 1 18 . 1 1 6 6 GLU C C 6 172.835 172.835 174.285 -1.450 19459 11416 1 18 . 1 1 6 6 GLU CA C 6 56.175 56.175 56.083 0.092 19459 11417 1 18 . 1 1 6 6 GLU CB C 6 29.964 29.964 30.160 -0.196 19459 11418 1 18 . 1 1 6 6 GLU H H 6 8.443 8.443 7.857 0.586 19459 11419 1 18 . 1 1 7 7 TRP N N 7 124.746 124.746 124.212 0.534 19459 11420 1 18 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.807 -0.875 19459 11421 1 18 . 1 1 7 7 TRP C C 7 174.236 174.236 174.881 -0.645 19459 11422 1 18 . 1 1 7 7 TRP CA C 7 59.912 59.912 57.035 2.877 19459 11423 1 18 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.964 -0.931 19459 11424 1 18 . 1 1 7 7 TRP H H 7 8.674 8.674 8.507 0.167 19459 11425 1 18 . 1 1 8 8 LEU N N 8 125.782 125.782 130.947 -5.165 19459 11426 1 18 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.312 0.244 19459 11427 1 18 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.502 -0.537 19459 11428 1 18 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.545 -0.652 19459 11429 1 18 . 1 1 8 8 LEU H H 8 7.922 7.922 7.907 0.015 19459 11430 1 18 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.691 -0.093 19459 11431 1 18 . 1 1 9 9 PRO C C 9 172.961 172.961 175.995 -3.034 19459 11432 1 18 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.113 -0.573 19459 11433 1 18 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.662 -0.225 19459 11434 1 18 . 1 1 10 10 PHE N N 10 106.863 106.863 112.724 -5.861 19459 11435 1 18 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.439 -0.830 19459 11436 1 18 . 1 1 10 10 PHE C C 10 175.535 175.535 173.757 1.778 19459 11437 1 18 . 1 1 10 10 PHE CA C 10 53.857 53.857 54.241 -0.384 19459 11438 1 18 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.292 3.483 19459 11439 1 18 . 1 1 10 10 PHE H H 10 5.588 5.588 6.674 -1.086 19459 11440 1 18 . 1 1 11 11 ALA N N 11 121.214 121.214 122.220 -1.006 19459 11441 1 18 . 1 1 11 11 ALA HA H 11 5.143 5.143 4.932 0.211 19459 11442 1 18 . 1 1 11 11 ALA C C 11 175.918 175.918 175.379 0.539 19459 11443 1 18 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.736 1.132 19459 11444 1 18 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.961 2.769 19459 11445 1 18 . 1 1 11 11 ALA H H 11 6.349 6.349 7.027 -0.678 19459 11446 1 18 . 1 1 12 12 ARG N N 12 117.160 117.160 121.077 -3.917 19459 11447 1 18 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.755 -0.058 19459 11448 1 18 . 1 1 12 12 ARG C C 12 178.499 178.499 173.616 4.883 19459 11449 1 18 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.531 1.334 19459 11450 1 18 . 1 1 12 12 ARG H H 12 9.219 9.219 8.656 0.563 19459 11451 1 18 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.401 -0.732 19459 11452 1 18 . 1 1 13 13 PRO C C 13 171.555 171.555 177.184 -5.629 19459 11453 1 18 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.427 -1.046 19459 11454 1 18 . 1 1 13 13 PRO CB C 13 31.548 31.548 31.744 -0.196 19459 11455 1 18 . 1 1 14 14 THR N N 14 112.823 112.823 113.421 -0.598 19459 11456 1 18 . 1 1 14 14 THR HA H 14 3.905 3.905 4.263 -0.358 19459 11457 1 18 . 1 1 14 14 THR C C 14 174.364 174.364 175.348 -0.984 19459 11458 1 18 . 1 1 14 14 THR CA C 14 63.180 63.180 63.348 -0.168 19459 11459 1 18 . 1 1 14 14 THR CB C 14 68.154 68.154 69.062 -0.908 19459 11460 1 18 . 1 1 14 14 THR H H 14 8.062 8.062 8.268 -0.206 19459 11461 1 18 . 1 1 15 15 GLN N N 15 119.736 119.736 117.994 1.742 19459 11462 1 18 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.387 0.114 19459 11463 1 18 . 1 1 15 15 GLN C C 15 174.815 174.815 176.834 -2.019 19459 11464 1 18 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.571 -2.204 19459 11465 1 18 . 1 1 15 15 GLN CB C 15 31.116 31.116 27.925 3.191 19459 11466 1 18 . 1 1 15 15 GLN H H 15 7.758 7.758 7.866 -0.108 19459 11467 1 18 . 1 1 16 16 LEU N N 16 124.583 124.583 121.611 2.972 19459 11468 1 18 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.296 0.065 19459 11469 1 18 . 1 1 16 16 LEU C C 16 172.167 172.167 178.827 -6.660 19459 11470 1 18 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.682 -2.385 19459 11471 1 18 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.437 0.598 19459 11472 1 18 . 1 1 16 16 LEU H H 16 8.458 8.458 7.992 0.466 19459 11473 1 18 . 1 1 17 17 THR N N 17 116.730 116.730 113.035 3.695 19459 11474 1 18 . 1 1 17 17 THR HA H 17 4.633 4.633 3.945 0.688 19459 11475 1 18 . 1 1 17 17 THR C C 17 175.703 175.703 174.705 0.998 19459 11476 1 18 . 1 1 17 17 THR CA C 17 60.358 60.358 65.850 -5.492 19459 11477 1 18 . 1 1 17 17 THR CB C 17 70.110 70.110 68.562 1.548 19459 11478 1 18 . 1 1 17 17 THR H H 17 8.325 8.325 8.021 0.304 19459 11479 1 18 . 1 1 18 18 ASP N N 18 122.839 122.839 116.961 5.878 19459 11480 1 18 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.375 0.367 19459 11481 1 18 . 1 1 18 18 ASP C C 18 173.642 173.642 174.164 -0.522 19459 11482 1 18 . 1 1 18 18 ASP CA C 18 53.213 53.213 53.689 -0.476 19459 11483 1 18 . 1 1 18 18 ASP CB C 18 39.922 39.922 42.360 -2.438 19459 11484 1 18 . 1 1 18 18 ASP H H 18 8.487 8.487 7.486 1.001 19459 11485 1 18 . 1 1 19 19 GLU N N 19 120.523 120.523 120.084 0.439 19459 11486 1 18 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.341 -0.268 19459 11487 1 18 . 1 1 19 19 GLU C C 19 174.249 174.249 175.547 -1.298 19459 11488 1 18 . 1 1 19 19 GLU CA C 19 56.150 56.150 54.724 1.426 19459 11489 1 18 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.317 0.026 19459 11490 1 18 . 1 1 19 19 GLU H H 19 7.931 7.931 7.154 0.777 19459 11491 1 18 . 1 1 20 20 PHE N N 20 118.500 118.500 119.812 -1.312 19459 11492 1 18 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.382 0.364 19459 11493 1 18 . 1 1 20 20 PHE C C 20 174.885 174.885 176.582 -1.697 19459 11494 1 18 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.261 -3.747 19459 11495 1 18 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.613 0.870 19459 11496 1 18 . 1 1 20 20 PHE H H 20 8.279 8.279 7.677 0.602 19459 11497 1 18 . 1 1 21 21 GLU N N 21 117.080 117.080 118.037 -0.957 19459 11498 1 18 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.766 0.244 19459 11499 1 18 . 1 1 21 21 GLU C C 21 174.900 174.900 174.733 0.167 19459 11500 1 18 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.826 -1.553 19459 11501 1 18 . 1 1 21 21 GLU CB C 21 31.373 31.373 32.338 -0.965 19459 11502 1 18 . 1 1 21 21 GLU H H 21 7.022 7.022 8.012 -0.990 19459 11503 1 18 . 1 1 22 22 PHE N N 22 119.655 119.655 119.350 0.305 19459 11504 1 18 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.869 0.100 19459 11505 1 18 . 1 1 22 22 PHE C C 22 176.708 176.708 173.278 3.430 19459 11506 1 18 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.272 -0.496 19459 11507 1 18 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.384 -0.638 19459 11508 1 18 . 1 1 22 22 PHE H H 22 8.974 8.974 8.530 0.444 19459 11509 1 18 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.642 -0.054 19459 11510 1 18 . 1 1 23 23 PRO C C 23 171.163 171.163 176.715 -5.552 19459 11511 1 18 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.434 -0.017 19459 11512 1 18 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.483 0.172 19459 11513 1 18 . 1 1 24 24 ILE N N 24 123.238 123.238 119.951 3.287 19459 11514 1 18 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.653 -0.243 19459 11515 1 18 . 1 1 24 24 ILE C C 24 172.283 172.283 177.121 -4.838 19459 11516 1 18 . 1 1 24 24 ILE CA C 24 64.046 64.046 63.104 0.942 19459 11517 1 18 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.800 -0.350 19459 11518 1 18 . 1 1 24 24 ILE H H 24 8.199 8.199 8.355 -0.156 19459 11519 1 18 . 1 1 25 25 GLY N N 25 115.962 115.962 113.986 1.976 19459 11520 1 18 . 1 1 25 25 GLY C C 25 174.927 174.927 174.063 0.864 19459 11521 1 18 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.972 -0.549 19459 11522 1 18 . 1 1 25 25 GLY H H 25 9.061 9.061 8.608 0.453 19459 11523 1 18 . 1 1 26 26 THR N N 26 117.152 117.152 118.321 -1.169 19459 11524 1 18 . 1 1 26 26 THR HA H 26 4.081 4.081 4.726 -0.645 19459 11525 1 18 . 1 1 26 26 THR C C 26 176.723 176.723 173.316 3.407 19459 11526 1 18 . 1 1 26 26 THR CA C 26 65.711 65.711 62.098 3.613 19459 11527 1 18 . 1 1 26 26 THR CB C 26 70.084 70.084 70.319 -0.235 19459 11528 1 18 . 1 1 26 26 THR H H 26 7.704 7.704 7.468 0.236 19459 11529 1 18 . 1 1 27 27 TYR N N 27 125.094 125.094 125.849 -0.755 19459 11530 1 18 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.813 0.979 19459 11531 1 18 . 1 1 27 27 TYR C C 27 173.835 173.835 175.578 -1.743 19459 11532 1 18 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.988 -2.125 19459 11533 1 18 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.628 1.248 19459 11534 1 18 . 1 1 27 27 TYR H H 27 8.542 8.542 8.751 -0.209 19459 11535 1 18 . 1 1 28 28 LEU N N 28 120.714 120.714 124.458 -3.744 19459 11536 1 18 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.456 0.328 19459 11537 1 18 . 1 1 28 28 LEU C C 28 172.808 172.808 175.822 -3.014 19459 11538 1 18 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.482 -0.299 19459 11539 1 18 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.415 1.523 19459 11540 1 18 . 1 1 28 28 LEU H H 28 9.000 9.000 8.208 0.792 19459 11541 1 18 . 1 1 29 29 ASN N N 29 121.617 121.617 120.590 1.027 19459 11542 1 18 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.756 0.144 19459 11543 1 18 . 1 1 29 29 ASN C C 29 174.783 174.783 174.057 0.726 19459 11544 1 18 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.465 1.767 19459 11545 1 18 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.633 0.558 19459 11546 1 18 . 1 1 29 29 ASN H H 29 8.544 8.544 8.632 -0.088 19459 11547 1 18 . 1 1 30 30 TYR N N 30 126.738 126.738 123.784 2.954 19459 11548 1 18 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.641 0.045 19459 11549 1 18 . 1 1 30 30 TYR C C 30 174.911 174.911 175.277 -0.366 19459 11550 1 18 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.948 -0.047 19459 11551 1 18 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.634 4.208 19459 11552 1 18 . 1 1 30 30 TYR H H 30 9.324 9.324 7.943 1.381 19459 11553 1 18 . 1 1 31 31 GLU N N 31 114.116 114.116 122.648 -8.532 19459 11554 1 18 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.609 0.101 19459 11555 1 18 . 1 1 31 31 GLU C C 31 173.694 173.694 174.532 -0.838 19459 11556 1 18 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.911 -1.792 19459 11557 1 18 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.083 -0.457 19459 11558 1 18 . 1 1 31 31 GLU H H 31 8.553 8.553 8.572 -0.019 19459 11559 1 18 . 1 1 32 32 CYS N N 32 121.086 121.086 122.158 -1.072 19459 11560 1 18 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.975 0.076 19459 11561 1 18 . 1 1 32 32 CYS C C 32 173.553 173.553 175.681 -2.128 19459 11562 1 18 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.429 -3.949 19459 11563 1 18 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.419 9.068 19459 11564 1 18 . 1 1 32 32 CYS H H 32 9.784 9.784 8.822 0.962 19459 11565 1 18 . 1 1 33 33 ARG N N 33 123.418 123.418 122.383 1.035 19459 11566 1 18 . 1 1 33 33 ARG C C 33 176.822 176.822 174.743 2.079 19459 11567 1 18 . 1 1 33 33 ARG CA C 33 56.311 56.311 54.477 1.835 19459 11568 1 18 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.473 -0.130 19459 11569 1 18 . 1 1 33 33 ARG H H 33 7.898 7.898 7.969 -0.071 19459 11570 1 18 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.422 -0.042 19459 11571 1 18 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.545 0.510 19459 11572 1 18 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.966 -0.631 19459 11573 1 18 . 1 1 35 35 GLY N N 35 111.039 111.039 109.375 1.664 19459 11574 1 18 . 1 1 35 35 GLY C C 35 177.546 177.546 173.766 3.780 19459 11575 1 18 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.771 -0.872 19459 11576 1 18 . 1 1 35 35 GLY H H 35 8.378 8.378 8.626 -0.248 19459 11577 1 18 . 1 1 36 36 TYR N N 36 116.682 116.682 118.306 -1.624 19459 11578 1 18 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.865 0.156 19459 11579 1 18 . 1 1 36 36 TYR C C 36 174.005 174.005 175.724 -1.719 19459 11580 1 18 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.911 -0.416 19459 11581 1 18 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.538 1.443 19459 11582 1 18 . 1 1 36 36 TYR H H 36 8.175 8.175 7.426 0.749 19459 11583 1 18 . 1 1 37 37 SER N N 37 115.855 115.855 119.090 -3.235 19459 11584 1 18 . 1 1 37 37 SER HA H 37 4.819 4.819 4.271 0.548 19459 11585 1 18 . 1 1 37 37 SER C C 37 175.442 175.442 175.354 0.088 19459 11586 1 18 . 1 1 37 37 SER CA C 37 56.534 56.534 60.558 -4.024 19459 11587 1 18 . 1 1 37 37 SER CB C 37 65.642 65.642 63.579 2.063 19459 11588 1 18 . 1 1 37 37 SER H H 37 9.711 9.711 8.403 1.308 19459 11589 1 18 . 1 1 38 38 GLY N N 38 113.435 113.435 109.492 3.943 19459 11590 1 18 . 1 1 38 38 GLY C C 38 175.876 175.876 173.855 2.021 19459 11591 1 18 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.697 0.571 19459 11592 1 18 . 1 1 38 38 GLY H H 38 8.288 8.288 7.936 0.352 19459 11593 1 18 . 1 1 39 39 ARG N N 39 124.199 124.199 122.870 1.329 19459 11594 1 18 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.404 0.335 19459 11595 1 18 . 1 1 39 39 ARG C C 39 175.413 175.413 173.868 1.545 19459 11596 1 18 . 1 1 39 39 ARG CA C 39 54.740 54.740 53.158 1.582 19459 11597 1 18 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.619 -0.985 19459 11598 1 18 . 1 1 39 39 ARG H H 39 8.350 8.350 8.360 -0.010 19459 11599 1 18 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.302 0.356 19459 11600 1 18 . 1 1 40 40 PRO C C 40 173.702 173.702 175.518 -1.816 19459 11601 1 18 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.029 1.442 19459 11602 1 18 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.106 0.082 19459 11603 1 18 . 1 1 41 41 PHE N N 41 118.388 118.388 121.328 -2.940 19459 11604 1 18 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.729 0.434 19459 11605 1 18 . 1 1 41 41 PHE C C 41 176.886 176.886 174.922 1.964 19459 11606 1 18 . 1 1 41 41 PHE CA C 41 55.566 55.566 55.973 -0.407 19459 11607 1 18 . 1 1 41 41 PHE CB C 41 41.264 41.264 42.320 -1.056 19459 11608 1 18 . 1 1 41 41 PHE H H 41 8.017 8.017 7.979 0.038 19459 11609 1 18 . 1 1 42 42 SER N N 42 114.056 114.056 117.183 -3.127 19459 11610 1 18 . 1 1 42 42 SER HA H 42 5.771 5.771 4.767 1.004 19459 11611 1 18 . 1 1 42 42 SER C C 42 174.978 174.978 174.159 0.819 19459 11612 1 18 . 1 1 42 42 SER CA C 42 56.668 56.668 58.237 -1.569 19459 11613 1 18 . 1 1 42 42 SER CB C 42 66.152 66.152 63.955 2.197 19459 11614 1 18 . 1 1 42 42 SER H H 42 8.540 8.540 8.389 0.151 19459 11615 1 18 . 1 1 43 43 ILE N N 43 115.669 115.669 119.533 -3.864 19459 11616 1 18 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.429 0.636 19459 11617 1 18 . 1 1 43 43 ILE C C 43 174.535 174.535 174.300 0.235 19459 11618 1 18 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.763 -0.719 19459 11619 1 18 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.501 1.854 19459 11620 1 18 . 1 1 43 43 ILE H H 43 8.637 8.637 7.629 1.008 19459 11621 1 18 . 1 1 44 44 ILE N N 44 120.215 120.215 124.755 -4.540 19459 11622 1 18 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.968 0.318 19459 11623 1 18 . 1 1 44 44 ILE C C 44 174.033 174.033 177.407 -3.374 19459 11624 1 18 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.432 0.224 19459 11625 1 18 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.842 2.488 19459 11626 1 18 . 1 1 44 44 ILE H H 44 8.687 8.687 8.288 0.399 19459 11627 1 18 . 1 1 45 45 CYS N N 45 126.257 126.257 128.620 -2.363 19459 11628 1 18 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.068 -0.316 19459 11629 1 18 . 1 1 45 45 CYS C C 45 174.946 174.946 176.112 -1.166 19459 11630 1 18 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.792 -4.726 19459 11631 1 18 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.933 14.678 19459 11632 1 18 . 1 1 45 45 CYS H H 45 7.993 7.993 9.188 -1.195 19459 11633 1 18 . 1 1 46 46 LEU N N 46 132.514 132.514 121.122 11.392 19459 11634 1 18 . 1 1 46 46 LEU HA H 46 4.416 4.416 3.981 0.435 19459 11635 1 18 . 1 1 46 46 LEU C C 46 172.195 172.195 177.264 -5.069 19459 11636 1 18 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.974 -2.630 19459 11637 1 18 . 1 1 46 46 LEU CB C 46 44.204 44.204 41.989 2.215 19459 11638 1 18 . 1 1 46 46 LEU H H 46 8.826 8.826 8.159 0.667 19459 11639 1 18 . 1 1 47 47 LYS N N 47 115.254 115.254 118.837 -3.583 19459 11640 1 18 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.234 -0.246 19459 11641 1 18 . 1 1 47 47 LYS C C 47 173.781 173.781 176.051 -2.270 19459 11642 1 18 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.429 2.554 19459 11643 1 18 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.092 -0.884 19459 11644 1 18 . 1 1 47 47 LYS H H 47 7.949 7.949 7.775 0.174 19459 11645 1 18 . 1 1 48 48 ASN N N 48 115.283 115.283 125.827 -10.544 19459 11646 1 18 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.410 0.126 19459 11647 1 18 . 1 1 48 48 ASN CA C 48 53.540 53.540 54.120 -0.580 19459 11648 1 18 . 1 1 48 48 ASN CB C 48 36.372 36.372 36.661 -0.289 19459 11649 1 18 . 1 1 48 48 ASN H H 48 8.432 8.432 9.110 -0.678 19459 11650 1 18 . 1 1 49 49 SER N N 49 110.595 110.595 105.477 5.118 19459 11651 1 18 . 1 1 49 49 SER HA H 49 3.969 3.969 3.920 0.049 19459 11652 1 18 . 1 1 49 49 SER CA C 49 59.790 59.790 59.478 0.312 19459 11653 1 18 . 1 1 49 49 SER CB C 49 60.870 60.870 61.999 -1.129 19459 11654 1 18 . 1 1 49 49 SER H H 49 8.457 8.457 8.222 0.235 19459 11655 1 18 . 1 1 50 50 VAL N N 50 117.680 117.680 118.716 -1.036 19459 11656 1 18 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.981 0.352 19459 11657 1 18 . 1 1 50 50 VAL C C 50 175.347 175.347 174.893 0.454 19459 11658 1 18 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.294 -3.410 19459 11659 1 18 . 1 1 50 50 VAL CB C 50 34.837 34.837 34.164 0.673 19459 11660 1 18 . 1 1 50 50 VAL H H 50 6.840 6.840 7.698 -0.858 19459 11661 1 18 . 1 1 51 51 TRP N N 51 123.510 123.510 115.812 7.698 19459 11662 1 18 . 1 1 51 51 TRP HA H 51 5.322 5.322 5.188 0.134 19459 11663 1 18 . 1 1 51 51 TRP C C 51 170.736 170.736 176.450 -5.714 19459 11664 1 18 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.857 -0.920 19459 11665 1 18 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.643 -1.852 19459 11666 1 18 . 1 1 51 51 TRP H H 51 8.310 8.310 7.677 0.633 19459 11667 1 18 . 1 1 52 52 THR N N 52 115.962 115.962 114.985 0.977 19459 11668 1 18 . 1 1 52 52 THR HA H 52 4.656 4.656 4.157 0.499 19459 11669 1 18 . 1 1 52 52 THR C C 52 175.780 175.780 175.251 0.529 19459 11670 1 18 . 1 1 52 52 THR CA C 52 61.376 61.376 64.514 -3.138 19459 11671 1 18 . 1 1 52 52 THR CB C 52 70.723 70.723 69.049 1.674 19459 11672 1 18 . 1 1 52 52 THR H H 52 9.026 9.026 8.301 0.725 19459 11673 1 18 . 1 1 53 53 GLY N N 53 108.521 108.521 107.529 0.992 19459 11674 1 18 . 1 1 53 53 GLY C C 53 174.881 174.881 172.022 2.859 19459 11675 1 18 . 1 1 53 53 GLY CA C 53 45.344 45.344 45.226 0.118 19459 11676 1 18 . 1 1 53 53 GLY H H 53 8.292 8.292 7.761 0.531 19459 11677 1 18 . 1 1 54 54 ALA N N 54 121.857 121.857 125.327 -3.470 19459 11678 1 18 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.423 -0.270 19459 11679 1 18 . 1 1 54 54 ALA C C 54 172.786 172.786 176.713 -3.927 19459 11680 1 18 . 1 1 54 54 ALA CA C 54 51.697 51.697 51.086 0.611 19459 11681 1 18 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.865 1.849 19459 11682 1 18 . 1 1 54 54 ALA H H 54 8.443 8.443 8.492 -0.049 19459 11683 1 18 . 1 1 55 55 LYS N N 55 118.318 118.318 119.611 -1.293 19459 11684 1 18 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.566 -0.822 19459 11685 1 18 . 1 1 55 55 LYS C C 55 172.519 172.519 176.109 -3.590 19459 11686 1 18 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.320 2.624 19459 11687 1 18 . 1 1 55 55 LYS CB C 55 32.632 32.632 33.526 -0.894 19459 11688 1 18 . 1 1 55 55 LYS H H 55 7.612 7.612 7.858 -0.246 19459 11689 1 18 . 1 1 56 56 ASP N N 56 119.214 119.214 120.860 -1.646 19459 11690 1 18 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.566 -0.449 19459 11691 1 18 . 1 1 56 56 ASP C C 56 173.700 173.700 176.149 -2.449 19459 11692 1 18 . 1 1 56 56 ASP CA C 56 55.384 55.384 54.734 0.650 19459 11693 1 18 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.533 -0.363 19459 11694 1 18 . 1 1 56 56 ASP H H 56 8.555 8.555 8.725 -0.170 19459 11695 1 18 . 1 1 57 57 ARG N N 57 116.006 116.006 118.658 -2.652 19459 11696 1 18 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.310 -0.430 19459 11697 1 18 . 1 1 57 57 ARG C C 57 171.638 171.638 176.337 -4.699 19459 11698 1 18 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.467 -1.540 19459 11699 1 18 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.559 1.597 19459 11700 1 18 . 1 1 57 57 ARG H H 57 7.352 7.352 8.834 -1.482 19459 11701 1 18 . 1 1 58 58 CYS N N 58 115.000 115.000 116.425 -1.425 19459 11702 1 18 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.746 0.828 19459 11703 1 18 . 1 1 58 58 CYS C C 58 175.576 175.576 173.077 2.499 19459 11704 1 18 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.350 -4.498 19459 11705 1 18 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.602 13.975 19459 11706 1 18 . 1 1 58 58 CYS H H 58 7.587 7.587 8.269 -0.682 19459 11707 1 18 . 1 1 59 59 ARG N N 59 123.440 123.440 121.173 2.267 19459 11708 1 18 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.548 0.212 19459 11709 1 18 . 1 1 59 59 ARG C C 59 173.566 173.566 175.044 -1.478 19459 11710 1 18 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.817 -0.578 19459 11711 1 18 . 1 1 59 59 ARG CB C 59 32.802 32.802 34.026 -1.224 19459 11712 1 18 . 1 1 59 59 ARG H H 59 8.984 8.984 8.625 0.359 19459 11713 1 18 . 1 1 60 60 ARG N N 60 125.644 125.644 122.752 2.892 19459 11714 1 18 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.150 -0.499 19459 11715 1 18 . 1 1 60 60 ARG C C 60 172.119 172.119 175.255 -3.136 19459 11716 1 18 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.772 3.526 19459 11717 1 18 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.615 -0.347 19459 11718 1 18 . 1 1 60 60 ARG H H 60 9.163 9.163 8.447 0.716 19459 11719 1 18 . 1 1 61 61 LYS N N 61 124.217 124.217 122.158 2.059 19459 11720 1 18 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.491 -0.374 19459 11721 1 18 . 1 1 61 61 LYS C C 61 173.791 173.791 175.955 -2.164 19459 11722 1 18 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.909 2.289 19459 11723 1 18 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.019 1.195 19459 11724 1 18 . 1 1 61 61 LYS H H 61 8.601 8.601 8.293 0.308 19459 11725 1 18 . 1 1 62 62 SER N N 62 114.120 114.120 115.852 -1.732 19459 11726 1 18 . 1 1 62 62 SER HA H 62 4.765 4.765 4.509 0.256 19459 11727 1 18 . 1 1 62 62 SER C C 62 175.019 175.019 174.719 0.300 19459 11728 1 18 . 1 1 62 62 SER CA C 62 58.227 58.227 58.828 -0.601 19459 11729 1 18 . 1 1 62 62 SER CB C 62 65.387 65.387 63.754 1.633 19459 11730 1 18 . 1 1 62 62 SER H H 62 8.494 8.494 8.397 0.097 19459 11731 1 18 . 1 1 63 63 CYS N N 63 122.858 122.858 125.422 -2.564 19459 11732 1 18 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.493 -0.425 19459 11733 1 18 . 1 1 63 63 CYS C C 63 176.076 176.076 174.382 1.694 19459 11734 1 18 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.659 2.608 19459 11735 1 18 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.675 12.093 19459 11736 1 18 . 1 1 63 63 CYS H H 63 8.359 8.359 8.177 0.182 19459 11737 1 18 . 1 1 64 64 ARG N N 64 118.145 118.145 121.545 -3.400 19459 11738 1 18 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.823 -0.657 19459 11739 1 18 . 1 1 64 64 ARG C C 64 173.077 173.077 174.035 -0.958 19459 11740 1 18 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.001 0.979 19459 11741 1 18 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.944 -2.485 19459 11742 1 18 . 1 1 64 64 ARG H H 64 8.496 8.496 8.803 -0.306 19459 11743 1 18 . 1 1 65 65 ASN N N 65 122.302 122.302 118.181 4.121 19459 11744 1 18 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.139 -0.405 19459 11745 1 18 . 1 1 65 65 ASN C C 65 175.117 175.117 174.454 0.663 19459 11746 1 18 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.805 0.307 19459 11747 1 18 . 1 1 65 65 ASN CB C 65 38.367 38.367 38.290 0.077 19459 11748 1 18 . 1 1 65 65 ASN H H 65 8.691 8.691 8.883 -0.192 19459 11749 1 18 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.265 0.218 19459 11750 1 18 . 1 1 67 67 PRO C C 67 172.228 172.228 176.924 -4.696 19459 11751 1 18 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.467 -1.801 19459 11752 1 18 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.961 0.526 19459 11753 1 18 . 1 1 68 68 ASP N N 68 118.184 118.184 118.307 -0.123 19459 11754 1 18 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.364 0.278 19459 11755 1 18 . 1 1 68 68 ASP C C 68 173.951 173.951 174.090 -0.139 19459 11756 1 18 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.603 -1.424 19459 11757 1 18 . 1 1 68 68 ASP CB C 68 40.499 40.499 41.450 -0.951 19459 11758 1 18 . 1 1 68 68 ASP H H 68 8.201 8.201 7.980 0.221 19459 11759 1 18 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.439 -0.203 19459 11760 1 18 . 1 1 69 69 PRO C C 69 172.350 172.350 177.501 -5.151 19459 11761 1 18 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.472 -0.561 19459 11762 1 18 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.746 -1.511 19459 11763 1 18 . 1 1 70 70 VAL N N 70 125.745 125.745 120.450 5.295 19459 11764 1 18 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.677 -0.018 19459 11765 1 18 . 1 1 70 70 VAL C C 70 171.231 171.231 177.758 -6.527 19459 11766 1 18 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.116 -0.452 19459 11767 1 18 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.326 -0.475 19459 11768 1 18 . 1 1 70 70 VAL H H 70 8.251 8.251 8.555 -0.304 19459 11769 1 18 . 1 1 71 71 ASN N N 71 119.702 119.702 119.200 0.502 19459 11770 1 18 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.538 -0.537 19459 11771 1 18 . 1 1 71 71 ASN C C 71 176.167 176.167 175.646 0.521 19459 11772 1 18 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.392 1.128 19459 11773 1 18 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.850 -2.608 19459 11774 1 18 . 1 1 71 71 ASN H H 71 8.994 8.994 8.284 0.710 19459 11775 1 18 . 1 1 72 72 GLY N N 72 104.254 104.254 105.109 -0.855 19459 11776 1 18 . 1 1 72 72 GLY C C 72 177.732 177.732 173.668 4.064 19459 11777 1 18 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.727 2.371 19459 11778 1 18 . 1 1 72 72 GLY H H 72 7.637 7.637 8.283 -0.646 19459 11779 1 18 . 1 1 73 73 MET N N 73 116.529 116.529 120.672 -4.143 19459 11780 1 18 . 1 1 73 73 MET HA H 73 4.887 4.887 4.608 0.279 19459 11781 1 18 . 1 1 73 73 MET C C 73 175.128 175.128 174.463 0.665 19459 11782 1 18 . 1 1 73 73 MET CA C 73 54.890 54.890 54.623 0.266 19459 11783 1 18 . 1 1 73 73 MET CB C 73 36.837 36.837 33.826 3.011 19459 11784 1 18 . 1 1 73 73 MET H H 73 8.819 8.819 8.114 0.705 19459 11785 1 18 . 1 1 74 74 VAL N N 74 122.511 122.511 122.841 -0.330 19459 11786 1 18 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.752 -0.149 19459 11787 1 18 . 1 1 74 74 VAL C C 74 176.573 176.573 174.138 2.435 19459 11788 1 18 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.124 -0.115 19459 11789 1 18 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.358 0.144 19459 11790 1 18 . 1 1 74 74 VAL H H 74 8.796 8.796 8.141 0.655 19459 11791 1 18 . 1 1 75 75 HIS N N 75 125.200 125.200 127.227 -2.027 19459 11792 1 18 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.847 -0.133 19459 11793 1 18 . 1 1 75 75 HIS C C 75 175.500 175.500 173.395 2.105 19459 11794 1 18 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.813 -1.128 19459 11795 1 18 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.187 -4.179 19459 11796 1 18 . 1 1 75 75 HIS H H 75 8.977 8.977 8.366 0.611 19459 11797 1 18 . 1 1 76 76 VAL N N 76 127.456 127.456 123.113 4.343 19459 11798 1 18 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.245 -0.073 19459 11799 1 18 . 1 1 76 76 VAL C C 76 173.257 173.257 175.207 -1.950 19459 11800 1 18 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.825 1.373 19459 11801 1 18 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.516 -2.176 19459 11802 1 18 . 1 1 76 76 VAL H H 76 8.926 8.926 8.506 0.420 19459 11803 1 18 . 1 1 77 77 ILE N N 77 126.756 126.756 129.444 -2.688 19459 11804 1 18 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.920 0.231 19459 11805 1 18 . 1 1 77 77 ILE C C 77 172.744 172.744 177.229 -4.485 19459 11806 1 18 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.892 -0.958 19459 11807 1 18 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.287 0.885 19459 11808 1 18 . 1 1 77 77 ILE H H 77 7.978 7.978 8.314 -0.336 19459 11809 1 18 . 1 1 78 78 LYS N N 78 123.427 123.427 117.886 5.541 19459 11810 1 18 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.493 0.084 19459 11811 1 18 . 1 1 78 78 LYS C C 78 172.800 172.800 176.889 -4.089 19459 11812 1 18 . 1 1 78 78 LYS CA C 78 55.383 55.383 54.566 0.818 19459 11813 1 18 . 1 1 78 78 LYS CB C 78 32.852 32.852 33.089 -0.237 19459 11814 1 18 . 1 1 78 78 LYS H H 78 9.415 9.415 8.309 1.106 19459 11815 1 18 . 1 1 79 79 GLY N N 79 108.777 108.777 106.675 2.102 19459 11816 1 18 . 1 1 79 79 GLY C C 79 176.221 176.221 174.208 2.013 19459 11817 1 18 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.162 -0.280 19459 11818 1 18 . 1 1 79 79 GLY H H 79 7.857 7.857 8.419 -0.562 19459 11819 1 18 . 1 1 80 80 ILE N N 80 109.131 109.131 117.592 -8.461 19459 11820 1 18 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.108 0.850 19459 11821 1 18 . 1 1 80 80 ILE C C 80 174.883 174.883 174.841 0.042 19459 11822 1 18 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.605 -0.948 19459 11823 1 18 . 1 1 80 80 ILE CB C 80 38.711 38.711 35.922 2.789 19459 11824 1 18 . 1 1 80 80 ILE H H 80 8.076 8.076 8.191 -0.115 19459 11825 1 18 . 1 1 81 81 GLN N N 81 116.732 116.732 120.489 -3.757 19459 11826 1 18 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.646 0.020 19459 11827 1 18 . 1 1 81 81 GLN C C 81 172.989 172.989 174.286 -1.297 19459 11828 1 18 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.050 1.451 19459 11829 1 18 . 1 1 81 81 GLN CB C 81 30.674 30.674 33.243 -2.569 19459 11830 1 18 . 1 1 81 81 GLN H H 81 7.682 7.682 8.054 -0.372 19459 11831 1 18 . 1 1 82 82 PHE N N 82 119.773 119.773 121.854 -2.081 19459 11832 1 18 . 1 1 82 82 PHE HA H 82 3.880 3.880 3.995 -0.115 19459 11833 1 18 . 1 1 82 82 PHE C C 82 173.680 173.680 176.447 -2.767 19459 11834 1 18 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.722 -1.037 19459 11835 1 18 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.396 0.723 19459 11836 1 18 . 1 1 82 82 PHE H H 82 8.615 8.615 8.136 0.479 19459 11837 1 18 . 1 1 83 83 GLY N N 83 119.507 119.507 115.776 3.731 19459 11838 1 18 . 1 1 83 83 GLY C C 83 174.662 174.662 174.170 0.492 19459 11839 1 18 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.601 -0.110 19459 11840 1 18 . 1 1 83 83 GLY H H 83 9.086 9.086 8.203 0.883 19459 11841 1 18 . 1 1 84 84 SER N N 84 118.128 118.128 117.649 0.479 19459 11842 1 18 . 1 1 84 84 SER HA H 84 4.415 4.415 4.518 -0.103 19459 11843 1 18 . 1 1 84 84 SER C C 84 177.247 177.247 173.393 3.854 19459 11844 1 18 . 1 1 84 84 SER CA C 84 60.111 60.111 59.017 1.094 19459 11845 1 18 . 1 1 84 84 SER CB C 84 64.281 64.281 64.657 -0.376 19459 11846 1 18 . 1 1 84 84 SER H H 84 8.573 8.573 7.823 0.750 19459 11847 1 18 . 1 1 85 85 GLN N N 85 119.913 119.913 122.981 -3.068 19459 11848 1 18 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.712 0.107 19459 11849 1 18 . 1 1 85 85 GLN C C 85 172.795 172.795 175.009 -2.214 19459 11850 1 18 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.237 -0.072 19459 11851 1 18 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.334 0.410 19459 11852 1 18 . 1 1 85 85 GLN H H 85 8.211 8.211 8.520 -0.309 19459 11853 1 18 . 1 1 86 86 ILE N N 86 119.724 119.724 119.308 0.416 19459 11854 1 18 . 1 1 86 86 ILE HA H 86 4.757 4.757 4.957 -0.200 19459 11855 1 18 . 1 1 86 86 ILE C C 86 174.969 174.969 173.643 1.326 19459 11856 1 18 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.565 1.262 19459 11857 1 18 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.647 -0.853 19459 11858 1 18 . 1 1 86 86 ILE H H 86 9.215 9.215 8.785 0.430 19459 11859 1 18 . 1 1 87 87 LYS N N 87 117.135 117.135 119.583 -2.448 19459 11860 1 18 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.116 0.119 19459 11861 1 18 . 1 1 87 87 LYS C C 87 174.599 174.599 175.592 -0.993 19459 11862 1 18 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.028 -0.315 19459 11863 1 18 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.824 2.003 19459 11864 1 18 . 1 1 87 87 LYS H H 87 7.600 7.600 8.612 -1.012 19459 11865 1 18 . 1 1 88 88 TYR N N 88 119.004 119.004 124.899 -5.895 19459 11866 1 18 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.801 0.621 19459 11867 1 18 . 1 1 88 88 TYR C C 88 174.407 174.407 175.293 -0.886 19459 11868 1 18 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.819 0.116 19459 11869 1 18 . 1 1 88 88 TYR CB C 88 43.959 43.959 38.638 5.321 19459 11870 1 18 . 1 1 88 88 TYR H H 88 8.601 8.601 8.837 -0.236 19459 11871 1 18 . 1 1 89 89 SER N N 89 113.228 113.228 117.546 -4.318 19459 11872 1 18 . 1 1 89 89 SER HA H 89 4.668 4.668 4.935 -0.267 19459 11873 1 18 . 1 1 89 89 SER C C 89 177.136 177.136 174.306 2.830 19459 11874 1 18 . 1 1 89 89 SER CA C 89 57.291 57.291 57.051 0.240 19459 11875 1 18 . 1 1 89 89 SER CB C 89 66.534 66.534 64.958 1.576 19459 11876 1 18 . 1 1 89 89 SER H H 89 9.007 9.007 7.982 1.025 19459 11877 1 18 . 1 1 90 90 CYS N N 90 116.009 116.009 118.576 -2.567 19459 11878 1 18 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.504 0.917 19459 11879 1 18 . 1 1 90 90 CYS C C 90 173.812 173.812 173.226 0.586 19459 11880 1 18 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.357 -5.273 19459 11881 1 18 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.924 13.480 19459 11882 1 18 . 1 1 90 90 CYS H H 90 8.806 8.806 8.239 0.567 19459 11883 1 18 . 1 1 91 91 THR N N 91 120.813 120.813 113.511 7.302 19459 11884 1 18 . 1 1 91 91 THR HA H 91 3.994 3.994 4.431 -0.437 19459 11885 1 18 . 1 1 91 91 THR C C 91 176.445 176.445 174.474 1.971 19459 11886 1 18 . 1 1 91 91 THR CA C 91 63.440 63.440 61.144 2.296 19459 11887 1 18 . 1 1 91 91 THR CB C 91 69.608 69.608 71.278 -1.670 19459 11888 1 18 . 1 1 91 91 THR H H 91 8.737 8.737 6.499 2.238 19459 11889 1 18 . 1 1 92 92 LYS N N 92 124.963 124.963 125.598 -0.635 19459 11890 1 18 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.212 -0.108 19459 11891 1 18 . 1 1 92 92 LYS C C 92 172.310 172.310 178.090 -5.780 19459 11892 1 18 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.834 1.053 19459 11893 1 18 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.888 -0.749 19459 11894 1 18 . 1 1 92 92 LYS H H 92 8.325 8.325 8.637 -0.312 19459 11895 1 18 . 1 1 93 93 GLY N N 93 113.608 113.608 108.388 5.220 19459 11896 1 18 . 1 1 93 93 GLY C C 93 175.127 175.127 172.946 2.181 19459 11897 1 18 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.445 0.266 19459 11898 1 18 . 1 1 93 93 GLY H H 93 8.827 8.827 8.066 0.761 19459 11899 1 18 . 1 1 94 94 TYR N N 94 119.900 119.900 121.109 -1.209 19459 11900 1 18 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.855 -0.213 19459 11901 1 18 . 1 1 94 94 TYR C C 94 174.548 174.548 173.675 0.873 19459 11902 1 18 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.596 1.562 19459 11903 1 18 . 1 1 94 94 TYR CB C 94 40.194 40.194 39.757 0.437 19459 11904 1 18 . 1 1 94 94 TYR H H 94 8.281 8.281 7.694 0.587 19459 11905 1 18 . 1 1 95 95 ARG N N 95 122.431 122.431 120.944 1.487 19459 11906 1 18 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.257 0.271 19459 11907 1 18 . 1 1 95 95 ARG C C 95 175.179 175.179 174.152 1.027 19459 11908 1 18 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.197 0.356 19459 11909 1 18 . 1 1 95 95 ARG CB C 95 32.201 32.201 31.815 0.386 19459 11910 1 18 . 1 1 95 95 ARG H H 95 9.608 9.608 8.510 1.098 19459 11911 1 18 . 1 1 96 96 LEU N N 96 125.652 125.652 124.054 1.598 19459 11912 1 18 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.503 0.159 19459 11913 1 18 . 1 1 96 96 LEU C C 96 172.420 172.420 176.812 -4.392 19459 11914 1 18 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.154 2.349 19459 11915 1 18 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.388 -0.582 19459 11916 1 18 . 1 1 96 96 LEU H H 96 8.231 8.231 8.287 -0.056 19459 11917 1 18 . 1 1 97 97 ILE N N 97 131.597 131.597 126.085 5.512 19459 11918 1 18 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.935 0.305 19459 11919 1 18 . 1 1 97 97 ILE C C 97 174.158 174.158 176.812 -2.654 19459 11920 1 18 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.861 -0.692 19459 11921 1 18 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.857 -0.054 19459 11922 1 18 . 1 1 97 97 ILE H H 97 9.661 9.661 8.353 1.308 19459 11923 1 18 . 1 1 98 98 GLY N N 98 116.731 116.731 107.434 9.297 19459 11924 1 18 . 1 1 98 98 GLY C C 98 176.923 176.923 173.897 3.026 19459 11925 1 18 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.081 -1.016 19459 11926 1 18 . 1 1 98 98 GLY H H 98 8.465 8.465 7.844 0.621 19459 11927 1 18 . 1 1 99 99 SER N N 99 116.632 116.632 117.292 -0.660 19459 11928 1 18 . 1 1 99 99 SER HA H 99 4.509 4.509 4.614 -0.105 19459 11929 1 18 . 1 1 99 99 SER C C 99 175.013 175.013 174.176 0.837 19459 11930 1 18 . 1 1 99 99 SER CA C 99 58.328 58.328 58.302 0.026 19459 11931 1 18 . 1 1 99 99 SER CB C 99 63.996 63.996 63.920 0.075 19459 11932 1 18 . 1 1 99 99 SER H H 99 8.759 8.759 8.561 0.198 19459 11933 1 18 . 1 1 100 100 SER N N 100 116.696 116.696 119.013 -2.317 19459 11934 1 18 . 1 1 100 100 SER HA H 100 4.447 4.447 4.609 -0.162 19459 11935 1 18 . 1 1 100 100 SER C C 100 175.403 175.403 173.986 1.417 19459 11936 1 18 . 1 1 100 100 SER CA C 100 59.209 59.209 59.610 -0.401 19459 11937 1 18 . 1 1 100 100 SER CB C 100 64.035 64.035 63.767 0.268 19459 11938 1 18 . 1 1 100 100 SER H H 100 8.617 8.617 8.835 -0.218 19459 11939 1 18 . 1 1 101 101 SER N N 101 115.247 115.247 114.900 0.347 19459 11940 1 18 . 1 1 101 101 SER HA H 101 5.346 5.346 5.443 -0.097 19459 11941 1 18 . 1 1 101 101 SER C C 101 176.888 176.888 172.810 4.078 19459 11942 1 18 . 1 1 101 101 SER CA C 101 57.021 57.021 56.877 0.144 19459 11943 1 18 . 1 1 101 101 SER CB C 101 66.391 66.391 66.069 0.322 19459 11944 1 18 . 1 1 101 101 SER H H 101 7.952 7.952 7.539 0.413 19459 11945 1 18 . 1 1 102 102 ALA N N 102 121.438 121.438 121.512 -0.074 19459 11946 1 18 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.083 0.004 19459 11947 1 18 . 1 1 102 102 ALA C C 102 173.807 173.807 175.800 -1.993 19459 11948 1 18 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.095 0.728 19459 11949 1 18 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.583 1.488 19459 11950 1 18 . 1 1 102 102 ALA H H 102 8.286 8.286 8.368 -0.082 19459 11951 1 18 . 1 1 103 103 THR N N 103 118.007 118.007 117.919 0.088 19459 11952 1 18 . 1 1 103 103 THR HA H 103 5.560 5.560 5.327 0.233 19459 11953 1 18 . 1 1 103 103 THR C C 103 176.159 176.159 173.676 2.483 19459 11954 1 18 . 1 1 103 103 THR CA C 103 61.342 61.342 61.448 -0.106 19459 11955 1 18 . 1 1 103 103 THR CB C 103 71.171 71.171 71.084 0.087 19459 11956 1 18 . 1 1 103 103 THR H H 103 9.636 9.636 9.733 -0.097 19459 11957 1 18 . 1 1 104 104 CYS N N 104 127.602 127.602 128.649 -1.047 19459 11958 1 18 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.910 -0.544 19459 11959 1 18 . 1 1 104 104 CYS C C 104 174.892 174.892 173.867 1.025 19459 11960 1 18 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.377 -1.898 19459 11961 1 18 . 1 1 104 104 CYS CB C 104 39.185 39.185 25.969 13.216 19459 11962 1 18 . 1 1 104 104 CYS H H 104 8.338 8.338 8.538 -0.200 19459 11963 1 18 . 1 1 105 105 ILE N N 105 126.775 126.775 124.010 2.765 19459 11964 1 18 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.085 -0.176 19459 11965 1 18 . 1 1 105 105 ILE C C 105 174.390 174.390 173.664 0.726 19459 11966 1 18 . 1 1 105 105 ILE CA C 105 60.221 60.221 59.108 1.113 19459 11967 1 18 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.899 0.623 19459 11968 1 18 . 1 1 105 105 ILE H H 105 9.375 9.375 9.155 0.220 19459 11969 1 18 . 1 1 106 106 ILE N N 106 118.256 118.256 122.153 -3.897 19459 11970 1 18 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.087 -0.017 19459 11971 1 18 . 1 1 106 106 ILE C C 106 172.560 172.560 176.639 -4.079 19459 11972 1 18 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.387 1.502 19459 11973 1 18 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.035 3.650 19459 11974 1 18 . 1 1 106 106 ILE H H 106 8.041 8.041 8.462 -0.421 19459 11975 1 18 . 1 1 107 107 SER N N 107 120.167 120.167 124.396 -4.229 19459 11976 1 18 . 1 1 107 107 SER HA H 107 4.376 4.376 4.316 0.060 19459 11977 1 18 . 1 1 107 107 SER C C 107 174.594 174.594 175.575 -0.981 19459 11978 1 18 . 1 1 107 107 SER CA C 107 57.111 57.111 60.157 -3.046 19459 11979 1 18 . 1 1 107 107 SER CB C 107 63.835 63.835 63.742 0.093 19459 11980 1 18 . 1 1 107 107 SER H H 107 8.013 8.013 9.032 -1.019 19459 11981 1 18 . 1 1 108 108 GLY N N 108 119.089 119.089 108.798 10.291 19459 11982 1 18 . 1 1 108 108 GLY C C 108 174.665 174.665 174.193 0.472 19459 11983 1 18 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.234 2.254 19459 11984 1 18 . 1 1 108 108 GLY H H 108 9.116 9.116 7.861 1.255 19459 11985 1 18 . 1 1 109 109 ASP N N 109 127.143 127.143 121.007 6.136 19459 11986 1 18 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.543 0.218 19459 11987 1 18 . 1 1 109 109 ASP C C 109 173.724 173.724 176.042 -2.318 19459 11988 1 18 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.887 -2.164 19459 11989 1 18 . 1 1 109 109 ASP CB C 109 41.232 41.232 40.795 0.437 19459 11990 1 18 . 1 1 109 109 ASP H H 109 8.845 8.845 8.482 0.363 19459 11991 1 18 . 1 1 110 110 THR N N 110 115.044 115.044 111.626 3.418 19459 11992 1 18 . 1 1 110 110 THR HA H 110 4.663 4.663 4.496 0.167 19459 11993 1 18 . 1 1 110 110 THR C C 110 175.636 175.636 172.360 3.276 19459 11994 1 18 . 1 1 110 110 THR CA C 110 58.612 58.612 60.575 -1.963 19459 11995 1 18 . 1 1 110 110 THR CB C 110 71.146 71.146 71.183 -0.037 19459 11996 1 18 . 1 1 110 110 THR H H 110 8.134 8.134 7.377 0.757 19459 11997 1 18 . 1 1 111 111 VAL N N 111 115.728 115.728 118.798 -3.070 19459 11998 1 18 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.725 0.590 19459 11999 1 18 . 1 1 111 111 VAL C C 111 174.752 174.752 174.237 0.515 19459 12000 1 18 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.535 -1.894 19459 12001 1 18 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.646 1.178 19459 12002 1 18 . 1 1 111 111 VAL H H 111 8.310 8.310 8.452 -0.142 19459 12003 1 18 . 1 1 112 112 ILE N N 112 117.116 117.116 118.284 -1.168 19459 12004 1 18 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.683 -0.177 19459 12005 1 18 . 1 1 112 112 ILE C C 112 174.637 174.637 174.206 0.431 19459 12006 1 18 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.977 0.518 19459 12007 1 18 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.786 1.405 19459 12008 1 18 . 1 1 112 112 ILE H H 112 8.945 8.945 8.728 0.217 19459 12009 1 18 . 1 1 113 113 TRP N N 113 121.755 121.755 120.795 0.960 19459 12010 1 18 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.338 -0.231 19459 12011 1 18 . 1 1 113 113 TRP C C 113 170.413 170.413 176.920 -6.507 19459 12012 1 18 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.136 0.240 19459 12013 1 18 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.140 -0.844 19459 12014 1 18 . 1 1 113 113 TRP H H 113 7.567 7.567 8.596 -1.029 19459 12015 1 18 . 1 1 114 114 ASP N N 114 123.286 123.286 119.224 4.062 19459 12016 1 18 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.491 -0.284 19459 12017 1 18 . 1 1 114 114 ASP C C 114 174.083 174.083 176.372 -2.289 19459 12018 1 18 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.404 0.997 19459 12019 1 18 . 1 1 114 114 ASP CB C 114 40.149 40.149 40.263 -0.114 19459 12020 1 18 . 1 1 114 114 ASP H H 114 9.451 9.451 8.600 0.851 19459 12021 1 18 . 1 1 115 115 GLN N N 115 116.139 116.139 119.476 -3.337 19459 12022 1 18 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.146 0.599 19459 12023 1 18 . 1 1 115 115 GLN C C 115 173.639 173.639 176.663 -3.024 19459 12024 1 18 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.624 -3.441 19459 12025 1 18 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.279 3.044 19459 12026 1 18 . 1 1 115 115 GLN H H 115 7.305 7.305 7.910 -0.605 19459 12027 1 18 . 1 1 116 116 GLU N N 116 120.881 120.881 123.652 -2.771 19459 12028 1 18 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.223 0.107 19459 12029 1 18 . 1 1 116 116 GLU C C 116 173.578 173.578 176.681 -3.103 19459 12030 1 18 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.262 -3.105 19459 12031 1 18 . 1 1 116 116 GLU CB C 116 30.215 30.215 29.922 0.293 19459 12032 1 18 . 1 1 116 116 GLU H H 116 8.615 8.615 8.864 -0.249 19459 12033 1 18 . 1 1 117 117 THR N N 117 119.889 119.889 110.891 8.998 19459 12034 1 18 . 1 1 117 117 THR HA H 117 3.609 3.609 4.361 -0.752 19459 12035 1 18 . 1 1 117 117 THR C C 117 176.699 176.699 171.532 5.167 19459 12036 1 18 . 1 1 117 117 THR CA C 117 61.757 61.757 60.471 1.286 19459 12037 1 18 . 1 1 117 117 THR CB C 117 69.799 69.799 69.645 0.154 19459 12038 1 18 . 1 1 117 117 THR H H 117 8.075 8.075 7.501 0.574 19459 12039 1 18 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.417 0.115 19459 12040 1 18 . 1 1 118 118 PRO C C 118 175.300 175.300 175.879 -0.579 19459 12041 1 18 . 1 1 118 118 PRO CA C 118 62.360 62.360 63.061 -0.701 19459 12042 1 18 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.010 0.879 19459 12043 1 18 . 1 1 119 119 ILE N N 119 114.729 114.729 121.832 -7.103 19459 12044 1 18 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.407 -0.120 19459 12045 1 18 . 1 1 119 119 ILE C C 119 174.748 174.748 174.305 0.443 19459 12046 1 18 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.160 -0.918 19459 12047 1 18 . 1 1 119 119 ILE CB C 119 41.184 41.184 42.576 -1.392 19459 12048 1 18 . 1 1 119 119 ILE H H 119 7.874 7.874 7.924 -0.050 19459 12049 1 18 . 1 1 120 120 CYS N N 120 123.444 123.444 123.578 -0.134 19459 12050 1 18 . 1 1 120 120 CYS HA H 120 5.550 5.550 5.045 0.505 19459 12051 1 18 . 1 1 120 120 CYS C C 120 175.583 175.583 174.863 0.720 19459 12052 1 18 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.280 -4.586 19459 12053 1 18 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.481 12.969 19459 12054 1 18 . 1 1 120 120 CYS H H 120 8.583 8.583 8.547 0.036 19459 12055 1 18 . 1 1 121 121 ASP N N 121 124.459 124.459 124.975 -0.516 19459 12056 1 18 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.432 0.875 19459 12057 1 18 . 1 1 121 121 ASP C C 121 174.495 174.495 176.268 -1.773 19459 12058 1 18 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.444 -3.227 19459 12059 1 18 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.458 2.945 19459 12060 1 18 . 1 1 121 121 ASP H H 121 9.309 9.309 9.110 0.199 19459 12061 1 19 . 1 1 2 2 CYS N N 2 117.967 117.967 119.153 -1.186 19459 12062 1 19 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.732 -0.205 19459 12063 1 19 . 1 1 2 2 CYS C C 2 174.023 174.023 175.660 -1.637 19459 12064 1 19 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.788 -0.816 19459 12065 1 19 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.262 17.797 19459 12066 1 19 . 1 1 2 2 CYS H H 2 9.327 9.327 8.441 0.886 19459 12067 1 19 . 1 1 3 3 ASN N N 3 119.722 119.722 118.447 1.275 19459 12068 1 19 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.542 0.707 19459 12069 1 19 . 1 1 3 3 ASN C C 3 175.027 175.027 174.378 0.649 19459 12070 1 19 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.723 -1.210 19459 12071 1 19 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.317 2.326 19459 12072 1 19 . 1 1 3 3 ASN H H 3 8.686 8.686 8.552 0.134 19459 12073 1 19 . 1 1 4 4 ALA N N 4 122.403 122.403 118.431 3.972 19459 12074 1 19 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.604 -0.175 19459 12075 1 19 . 1 1 4 4 ALA C C 4 173.517 173.517 176.194 -2.677 19459 12076 1 19 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.688 -0.875 19459 12077 1 19 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.564 -1.577 19459 12078 1 19 . 1 1 4 4 ALA H H 4 8.401 8.401 7.971 0.430 19459 12079 1 19 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.436 -0.528 19459 12080 1 19 . 1 1 5 5 PRO C C 5 172.806 172.806 176.813 -4.007 19459 12081 1 19 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.872 -1.421 19459 12082 1 19 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.083 -0.531 19459 12083 1 19 . 1 1 6 6 GLU N N 6 121.296 121.296 114.192 7.104 19459 12084 1 19 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.403 -0.212 19459 12085 1 19 . 1 1 6 6 GLU C C 6 172.835 172.835 174.346 -1.511 19459 12086 1 19 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.999 0.175 19459 12087 1 19 . 1 1 6 6 GLU CB C 6 29.964 29.964 28.930 1.034 19459 12088 1 19 . 1 1 6 6 GLU H H 6 8.443 8.443 8.130 0.313 19459 12089 1 19 . 1 1 7 7 TRP N N 7 124.746 124.746 122.422 2.324 19459 12090 1 19 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.889 -0.957 19459 12091 1 19 . 1 1 7 7 TRP C C 7 174.236 174.236 174.669 -0.433 19459 12092 1 19 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.686 3.226 19459 12093 1 19 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.198 -1.165 19459 12094 1 19 . 1 1 7 7 TRP H H 7 8.674 8.674 8.372 0.302 19459 12095 1 19 . 1 1 8 8 LEU N N 8 125.782 125.782 130.664 -4.882 19459 12096 1 19 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.272 0.284 19459 12097 1 19 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.888 0.077 19459 12098 1 19 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.095 -0.202 19459 12099 1 19 . 1 1 8 8 LEU H H 8 7.922 7.922 7.837 0.085 19459 12100 1 19 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.499 0.099 19459 12101 1 19 . 1 1 9 9 PRO C C 9 172.961 172.961 176.257 -3.296 19459 12102 1 19 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.644 -1.104 19459 12103 1 19 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.380 0.057 19459 12104 1 19 . 1 1 10 10 PHE N N 10 106.863 106.863 115.431 -8.568 19459 12105 1 19 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.561 -0.952 19459 12106 1 19 . 1 1 10 10 PHE C C 10 175.535 175.535 175.169 0.366 19459 12107 1 19 . 1 1 10 10 PHE CA C 10 53.857 53.857 56.778 -2.921 19459 12108 1 19 . 1 1 10 10 PHE CB C 10 40.775 40.775 38.174 2.601 19459 12109 1 19 . 1 1 10 10 PHE H H 10 5.588 5.588 7.352 -1.764 19459 12110 1 19 . 1 1 11 11 ALA N N 11 121.214 121.214 118.569 2.645 19459 12111 1 19 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.454 -0.311 19459 12112 1 19 . 1 1 11 11 ALA C C 11 175.918 175.918 175.345 0.573 19459 12113 1 19 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.572 1.296 19459 12114 1 19 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.173 2.557 19459 12115 1 19 . 1 1 11 11 ALA H H 11 6.349 6.349 7.184 -0.835 19459 12116 1 19 . 1 1 12 12 ARG N N 12 117.160 117.160 119.635 -2.475 19459 12117 1 19 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.787 -0.090 19459 12118 1 19 . 1 1 12 12 ARG C C 12 178.499 178.499 173.531 4.968 19459 12119 1 19 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.381 0.484 19459 12120 1 19 . 1 1 12 12 ARG H H 12 9.219 9.219 8.498 0.721 19459 12121 1 19 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.342 -0.673 19459 12122 1 19 . 1 1 13 13 PRO C C 13 171.555 171.555 176.434 -4.879 19459 12123 1 19 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.363 -0.982 19459 12124 1 19 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.741 -1.193 19459 12125 1 19 . 1 1 14 14 THR N N 14 112.823 112.823 114.271 -1.448 19459 12126 1 19 . 1 1 14 14 THR HA H 14 3.905 3.905 4.352 -0.447 19459 12127 1 19 . 1 1 14 14 THR C C 14 174.364 174.364 175.655 -1.291 19459 12128 1 19 . 1 1 14 14 THR CA C 14 63.180 63.180 62.336 0.844 19459 12129 1 19 . 1 1 14 14 THR CB C 14 68.154 68.154 68.761 -0.607 19459 12130 1 19 . 1 1 14 14 THR H H 14 8.062 8.062 8.214 -0.152 19459 12131 1 19 . 1 1 15 15 GLN N N 15 119.736 119.736 118.683 1.053 19459 12132 1 19 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.523 -0.022 19459 12133 1 19 . 1 1 15 15 GLN C C 15 174.815 174.815 176.557 -1.742 19459 12134 1 19 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.772 -3.405 19459 12135 1 19 . 1 1 15 15 GLN CB C 15 31.116 31.116 29.353 1.763 19459 12136 1 19 . 1 1 15 15 GLN H H 15 7.758 7.758 8.193 -0.435 19459 12137 1 19 . 1 1 16 16 LEU N N 16 124.583 124.583 119.686 4.897 19459 12138 1 19 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.042 0.319 19459 12139 1 19 . 1 1 16 16 LEU C C 16 172.167 172.167 178.057 -5.890 19459 12140 1 19 . 1 1 16 16 LEU CA C 16 55.297 55.297 58.288 -2.990 19459 12141 1 19 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.760 0.274 19459 12142 1 19 . 1 1 16 16 LEU H H 16 8.458 8.458 8.100 0.358 19459 12143 1 19 . 1 1 17 17 THR N N 17 116.730 116.730 112.345 4.385 19459 12144 1 19 . 1 1 17 17 THR HA H 17 4.633 4.633 3.743 0.890 19459 12145 1 19 . 1 1 17 17 THR C C 17 175.703 175.703 175.009 0.694 19459 12146 1 19 . 1 1 17 17 THR CA C 17 60.358 60.358 65.192 -4.834 19459 12147 1 19 . 1 1 17 17 THR CB C 17 70.110 70.110 68.671 1.439 19459 12148 1 19 . 1 1 17 17 THR H H 17 8.325 8.325 8.209 0.116 19459 12149 1 19 . 1 1 18 18 ASP N N 18 122.839 122.839 117.434 5.405 19459 12150 1 19 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.827 -0.085 19459 12151 1 19 . 1 1 18 18 ASP C C 18 173.642 173.642 176.420 -2.778 19459 12152 1 19 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.313 -1.101 19459 12153 1 19 . 1 1 18 18 ASP CB C 18 39.922 39.922 40.888 -0.966 19459 12154 1 19 . 1 1 18 18 ASP H H 18 8.487 8.487 7.717 0.770 19459 12155 1 19 . 1 1 19 19 GLU N N 19 120.523 120.523 117.863 2.660 19459 12156 1 19 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.373 -0.300 19459 12157 1 19 . 1 1 19 19 GLU C C 19 174.249 174.249 177.522 -3.273 19459 12158 1 19 . 1 1 19 19 GLU CA C 19 56.150 56.150 56.691 -0.540 19459 12159 1 19 . 1 1 19 19 GLU CB C 19 29.343 29.343 31.361 -2.018 19459 12160 1 19 . 1 1 19 19 GLU H H 19 7.931 7.931 7.487 0.444 19459 12161 1 19 . 1 1 20 20 PHE N N 20 118.500 118.500 113.837 4.663 19459 12162 1 19 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.163 0.583 19459 12163 1 19 . 1 1 20 20 PHE C C 20 174.885 174.885 174.574 0.311 19459 12164 1 19 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.328 -3.814 19459 12165 1 19 . 1 1 20 20 PHE CB C 20 40.483 40.483 38.088 2.395 19459 12166 1 19 . 1 1 20 20 PHE H H 20 8.279 8.279 7.768 0.511 19459 12167 1 19 . 1 1 21 21 GLU N N 21 117.080 117.080 119.462 -2.382 19459 12168 1 19 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.694 0.316 19459 12169 1 19 . 1 1 21 21 GLU C C 21 174.900 174.900 175.133 -0.233 19459 12170 1 19 . 1 1 21 21 GLU CA C 21 54.273 54.273 54.987 -0.714 19459 12171 1 19 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.063 0.310 19459 12172 1 19 . 1 1 21 21 GLU H H 21 7.022 7.022 7.754 -0.732 19459 12173 1 19 . 1 1 22 22 PHE N N 22 119.655 119.655 121.926 -2.271 19459 12174 1 19 . 1 1 22 22 PHE HA H 22 4.969 4.969 5.006 -0.037 19459 12175 1 19 . 1 1 22 22 PHE C C 22 176.708 176.708 174.400 2.308 19459 12176 1 19 . 1 1 22 22 PHE CA C 22 54.776 54.776 54.748 0.028 19459 12177 1 19 . 1 1 22 22 PHE CB C 22 41.746 41.746 41.025 0.721 19459 12178 1 19 . 1 1 22 22 PHE H H 22 8.974 8.974 8.345 0.629 19459 12179 1 19 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.466 0.122 19459 12180 1 19 . 1 1 23 23 PRO C C 23 171.163 171.163 176.241 -5.078 19459 12181 1 19 . 1 1 23 23 PRO CA C 23 62.417 62.417 64.522 -2.105 19459 12182 1 19 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.160 0.495 19459 12183 1 19 . 1 1 24 24 ILE N N 24 123.238 123.238 113.865 9.373 19459 12184 1 19 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.793 -0.383 19459 12185 1 19 . 1 1 24 24 ILE C C 24 172.283 172.283 175.332 -3.049 19459 12186 1 19 . 1 1 24 24 ILE CA C 24 64.046 64.046 61.449 2.597 19459 12187 1 19 . 1 1 24 24 ILE CB C 24 37.449 37.449 38.148 -0.699 19459 12188 1 19 . 1 1 24 24 ILE H H 24 8.199 8.199 7.468 0.731 19459 12189 1 19 . 1 1 25 25 GLY N N 25 115.962 115.962 111.847 4.115 19459 12190 1 19 . 1 1 25 25 GLY C C 25 174.927 174.927 173.347 1.580 19459 12191 1 19 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.855 -1.432 19459 12192 1 19 . 1 1 25 25 GLY H H 25 9.061 9.061 8.441 0.620 19459 12193 1 19 . 1 1 26 26 THR N N 26 117.152 117.152 112.886 4.266 19459 12194 1 19 . 1 1 26 26 THR HA H 26 4.081 4.081 4.698 -0.617 19459 12195 1 19 . 1 1 26 26 THR C C 26 176.723 176.723 172.911 3.812 19459 12196 1 19 . 1 1 26 26 THR CA C 26 65.711 65.711 60.255 5.456 19459 12197 1 19 . 1 1 26 26 THR CB C 26 70.084 70.084 71.273 -1.189 19459 12198 1 19 . 1 1 26 26 THR H H 26 7.704 7.704 7.654 0.050 19459 12199 1 19 . 1 1 27 27 TYR N N 27 125.094 125.094 124.791 0.303 19459 12200 1 19 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.848 0.944 19459 12201 1 19 . 1 1 27 27 TYR C C 27 173.835 173.835 175.545 -1.710 19459 12202 1 19 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.697 -1.834 19459 12203 1 19 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.855 1.021 19459 12204 1 19 . 1 1 27 27 TYR H H 27 8.542 8.542 8.728 -0.186 19459 12205 1 19 . 1 1 28 28 LEU N N 28 120.714 120.714 123.708 -2.994 19459 12206 1 19 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.636 0.148 19459 12207 1 19 . 1 1 28 28 LEU C C 28 172.808 172.808 176.301 -3.493 19459 12208 1 19 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.320 -0.137 19459 12209 1 19 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.269 1.669 19459 12210 1 19 . 1 1 28 28 LEU H H 28 9.000 9.000 7.937 1.063 19459 12211 1 19 . 1 1 29 29 ASN N N 29 121.617 121.617 120.871 0.746 19459 12212 1 19 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.712 0.188 19459 12213 1 19 . 1 1 29 29 ASN C C 29 174.783 174.783 173.983 0.800 19459 12214 1 19 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.676 1.556 19459 12215 1 19 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.480 0.711 19459 12216 1 19 . 1 1 29 29 ASN H H 29 8.544 8.544 8.850 -0.306 19459 12217 1 19 . 1 1 30 30 TYR N N 30 126.738 126.738 123.294 3.444 19459 12218 1 19 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.610 0.076 19459 12219 1 19 . 1 1 30 30 TYR C C 30 174.911 174.911 174.920 -0.009 19459 12220 1 19 . 1 1 30 30 TYR CA C 30 56.901 56.901 56.790 0.111 19459 12221 1 19 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.873 3.969 19459 12222 1 19 . 1 1 30 30 TYR H H 30 9.324 9.324 7.956 1.368 19459 12223 1 19 . 1 1 31 31 GLU N N 31 114.116 114.116 122.248 -8.132 19459 12224 1 19 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.575 0.135 19459 12225 1 19 . 1 1 31 31 GLU C C 31 173.694 173.694 174.693 -0.999 19459 12226 1 19 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.550 -1.431 19459 12227 1 19 . 1 1 31 31 GLU CB C 31 32.626 32.626 32.441 0.185 19459 12228 1 19 . 1 1 31 31 GLU H H 31 8.553 8.553 8.448 0.105 19459 12229 1 19 . 1 1 32 32 CYS N N 32 121.086 121.086 124.530 -3.444 19459 12230 1 19 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.263 -0.212 19459 12231 1 19 . 1 1 32 32 CYS C C 32 173.553 173.553 175.021 -1.468 19459 12232 1 19 . 1 1 32 32 CYS CA C 32 54.480 54.480 59.203 -4.723 19459 12233 1 19 . 1 1 32 32 CYS CB C 32 37.487 37.487 27.884 9.603 19459 12234 1 19 . 1 1 32 32 CYS H H 32 9.784 9.784 9.028 0.756 19459 12235 1 19 . 1 1 33 33 ARG N N 33 123.418 123.418 125.667 -2.249 19459 12236 1 19 . 1 1 33 33 ARG C C 33 176.822 176.822 175.364 1.458 19459 12237 1 19 . 1 1 33 33 ARG CA C 33 56.311 56.311 57.275 -0.964 19459 12238 1 19 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.613 -0.271 19459 12239 1 19 . 1 1 33 33 ARG H H 33 7.898 7.898 8.888 -0.990 19459 12240 1 19 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.498 -0.118 19459 12241 1 19 . 1 1 34 34 PRO CA C 34 64.055 64.055 62.853 1.202 19459 12242 1 19 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.410 -0.076 19459 12243 1 19 . 1 1 35 35 GLY N N 35 111.039 111.039 105.935 5.104 19459 12244 1 19 . 1 1 35 35 GLY C C 35 177.546 177.546 173.646 3.900 19459 12245 1 19 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.737 -0.838 19459 12246 1 19 . 1 1 35 35 GLY H H 35 8.378 8.378 8.415 -0.037 19459 12247 1 19 . 1 1 36 36 TYR N N 36 116.682 116.682 117.536 -0.854 19459 12248 1 19 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.163 0.858 19459 12249 1 19 . 1 1 36 36 TYR C C 36 174.005 174.005 175.649 -1.644 19459 12250 1 19 . 1 1 36 36 TYR CA C 36 56.495 56.495 59.095 -2.600 19459 12251 1 19 . 1 1 36 36 TYR CB C 36 40.981 40.981 38.021 2.960 19459 12252 1 19 . 1 1 36 36 TYR H H 36 8.175 8.175 7.775 0.400 19459 12253 1 19 . 1 1 37 37 SER N N 37 115.855 115.855 117.646 -1.791 19459 12254 1 19 . 1 1 37 37 SER HA H 37 4.819 4.819 4.351 0.468 19459 12255 1 19 . 1 1 37 37 SER C C 37 175.442 175.442 175.705 -0.263 19459 12256 1 19 . 1 1 37 37 SER CA C 37 56.534 56.534 61.224 -4.690 19459 12257 1 19 . 1 1 37 37 SER CB C 37 65.642 65.642 63.995 1.647 19459 12258 1 19 . 1 1 37 37 SER H H 37 9.711 9.711 8.352 1.359 19459 12259 1 19 . 1 1 38 38 GLY N N 38 113.435 113.435 108.860 4.575 19459 12260 1 19 . 1 1 38 38 GLY C C 38 175.876 175.876 173.391 2.485 19459 12261 1 19 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.640 0.628 19459 12262 1 19 . 1 1 38 38 GLY H H 38 8.288 8.288 7.871 0.417 19459 12263 1 19 . 1 1 39 39 ARG N N 39 124.199 124.199 122.239 1.960 19459 12264 1 19 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.330 0.409 19459 12265 1 19 . 1 1 39 39 ARG C C 39 175.413 175.413 174.188 1.225 19459 12266 1 19 . 1 1 39 39 ARG CA C 39 54.740 54.740 52.506 2.234 19459 12267 1 19 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.447 -0.813 19459 12268 1 19 . 1 1 39 39 ARG H H 39 8.350 8.350 8.251 0.099 19459 12269 1 19 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.211 0.447 19459 12270 1 19 . 1 1 40 40 PRO C C 40 173.702 173.702 175.589 -1.887 19459 12271 1 19 . 1 1 40 40 PRO CA C 40 64.470 64.470 62.995 1.475 19459 12272 1 19 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.108 0.080 19459 12273 1 19 . 1 1 41 41 PHE N N 41 118.388 118.388 120.270 -1.882 19459 12274 1 19 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.786 0.377 19459 12275 1 19 . 1 1 41 41 PHE C C 41 176.886 176.886 175.491 1.395 19459 12276 1 19 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.550 -0.983 19459 12277 1 19 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.583 -0.319 19459 12278 1 19 . 1 1 41 41 PHE H H 41 8.017 8.017 8.378 -0.361 19459 12279 1 19 . 1 1 42 42 SER N N 42 114.056 114.056 117.095 -3.039 19459 12280 1 19 . 1 1 42 42 SER HA H 42 5.771 5.771 4.931 0.840 19459 12281 1 19 . 1 1 42 42 SER C C 42 174.978 174.978 173.871 1.107 19459 12282 1 19 . 1 1 42 42 SER CA C 42 56.668 56.668 58.090 -1.422 19459 12283 1 19 . 1 1 42 42 SER CB C 42 66.152 66.152 64.132 2.020 19459 12284 1 19 . 1 1 42 42 SER H H 42 8.540 8.540 8.682 -0.142 19459 12285 1 19 . 1 1 43 43 ILE N N 43 115.669 115.669 118.795 -3.126 19459 12286 1 19 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.399 0.666 19459 12287 1 19 . 1 1 43 43 ILE C C 43 174.535 174.535 174.504 0.031 19459 12288 1 19 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.215 -0.171 19459 12289 1 19 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.593 0.762 19459 12290 1 19 . 1 1 43 43 ILE H H 43 8.637 8.637 7.706 0.931 19459 12291 1 19 . 1 1 44 44 ILE N N 44 120.215 120.215 124.106 -3.891 19459 12292 1 19 . 1 1 44 44 ILE HA H 44 5.286 5.286 5.069 0.217 19459 12293 1 19 . 1 1 44 44 ILE C C 44 174.033 174.033 176.518 -2.485 19459 12294 1 19 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.059 0.596 19459 12295 1 19 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.852 2.478 19459 12296 1 19 . 1 1 44 44 ILE H H 44 8.687 8.687 8.063 0.624 19459 12297 1 19 . 1 1 45 45 CYS N N 45 126.257 126.257 127.279 -1.022 19459 12298 1 19 . 1 1 45 45 CYS HA H 45 3.752 3.752 3.905 -0.153 19459 12299 1 19 . 1 1 45 45 CYS C C 45 174.946 174.946 175.530 -0.584 19459 12300 1 19 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.298 -5.232 19459 12301 1 19 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.691 14.920 19459 12302 1 19 . 1 1 45 45 CYS H H 45 7.993 7.993 9.047 -1.054 19459 12303 1 19 . 1 1 46 46 LEU N N 46 132.514 132.514 124.972 7.542 19459 12304 1 19 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.275 0.141 19459 12305 1 19 . 1 1 46 46 LEU C C 46 172.195 172.195 176.760 -4.565 19459 12306 1 19 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.212 -1.868 19459 12307 1 19 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.536 1.668 19459 12308 1 19 . 1 1 46 46 LEU H H 46 8.826 8.826 7.951 0.875 19459 12309 1 19 . 1 1 47 47 LYS N N 47 115.254 115.254 119.280 -4.026 19459 12310 1 19 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.367 -0.379 19459 12311 1 19 . 1 1 47 47 LYS C C 47 173.781 173.781 175.613 -1.832 19459 12312 1 19 . 1 1 47 47 LYS CA C 47 57.983 57.983 54.795 3.188 19459 12313 1 19 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.480 -1.272 19459 12314 1 19 . 1 1 47 47 LYS H H 47 7.949 7.949 7.995 -0.046 19459 12315 1 19 . 1 1 48 48 ASN N N 48 115.283 115.283 123.567 -8.284 19459 12316 1 19 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.345 0.191 19459 12317 1 19 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.870 -0.329 19459 12318 1 19 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.854 -1.482 19459 12319 1 19 . 1 1 48 48 ASN H H 48 8.432 8.432 9.221 -0.789 19459 12320 1 19 . 1 1 49 49 SER N N 49 110.595 110.595 108.338 2.257 19459 12321 1 19 . 1 1 49 49 SER HA H 49 3.969 3.969 3.798 0.171 19459 12322 1 19 . 1 1 49 49 SER CA C 49 59.790 59.790 59.785 0.005 19459 12323 1 19 . 1 1 49 49 SER CB C 49 60.870 60.870 62.298 -1.428 19459 12324 1 19 . 1 1 49 49 SER H H 49 8.457 8.457 8.270 0.187 19459 12325 1 19 . 1 1 50 50 VAL N N 50 117.680 117.680 118.508 -0.828 19459 12326 1 19 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.721 0.612 19459 12327 1 19 . 1 1 50 50 VAL C C 50 175.347 175.347 175.665 -0.318 19459 12328 1 19 . 1 1 50 50 VAL CA C 50 59.884 59.884 66.448 -6.564 19459 12329 1 19 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.490 2.347 19459 12330 1 19 . 1 1 50 50 VAL H H 50 6.840 6.840 7.720 -0.880 19459 12331 1 19 . 1 1 51 51 TRP N N 51 123.510 123.510 113.178 10.332 19459 12332 1 19 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.523 0.799 19459 12333 1 19 . 1 1 51 51 TRP C C 51 170.736 170.736 175.864 -5.128 19459 12334 1 19 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.645 -0.708 19459 12335 1 19 . 1 1 51 51 TRP CB C 51 30.791 30.791 28.735 2.056 19459 12336 1 19 . 1 1 51 51 TRP H H 51 8.310 8.310 7.230 1.080 19459 12337 1 19 . 1 1 52 52 THR N N 52 115.962 115.962 115.043 0.919 19459 12338 1 19 . 1 1 52 52 THR HA H 52 4.656 4.656 4.157 0.499 19459 12339 1 19 . 1 1 52 52 THR C C 52 175.780 175.780 174.989 0.791 19459 12340 1 19 . 1 1 52 52 THR CA C 52 61.376 61.376 64.282 -2.906 19459 12341 1 19 . 1 1 52 52 THR CB C 52 70.723 70.723 68.973 1.750 19459 12342 1 19 . 1 1 52 52 THR H H 52 9.026 9.026 8.176 0.850 19459 12343 1 19 . 1 1 53 53 GLY N N 53 108.521 108.521 107.370 1.151 19459 12344 1 19 . 1 1 53 53 GLY C C 53 174.881 174.881 173.042 1.839 19459 12345 1 19 . 1 1 53 53 GLY CA C 53 45.344 45.344 45.026 0.318 19459 12346 1 19 . 1 1 53 53 GLY H H 53 8.292 8.292 7.604 0.688 19459 12347 1 19 . 1 1 54 54 ALA N N 54 121.857 121.857 124.629 -2.772 19459 12348 1 19 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.151 0.002 19459 12349 1 19 . 1 1 54 54 ALA C C 54 172.786 172.786 177.231 -4.445 19459 12350 1 19 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.211 -0.514 19459 12351 1 19 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.814 0.900 19459 12352 1 19 . 1 1 54 54 ALA H H 54 8.443 8.443 8.318 0.125 19459 12353 1 19 . 1 1 55 55 LYS N N 55 118.318 118.318 119.682 -1.364 19459 12354 1 19 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.227 -0.483 19459 12355 1 19 . 1 1 55 55 LYS C C 55 172.519 172.519 175.986 -3.467 19459 12356 1 19 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.915 1.029 19459 12357 1 19 . 1 1 55 55 LYS CB C 55 32.632 32.632 32.711 -0.079 19459 12358 1 19 . 1 1 55 55 LYS H H 55 7.612 7.612 7.615 -0.003 19459 12359 1 19 . 1 1 56 56 ASP N N 56 119.214 119.214 120.021 -0.807 19459 12360 1 19 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.395 -0.278 19459 12361 1 19 . 1 1 56 56 ASP C C 56 173.700 173.700 176.998 -3.298 19459 12362 1 19 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.761 -0.377 19459 12363 1 19 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.658 -0.488 19459 12364 1 19 . 1 1 56 56 ASP H H 56 8.555 8.555 8.912 -0.357 19459 12365 1 19 . 1 1 57 57 ARG N N 57 116.006 116.006 118.519 -2.513 19459 12366 1 19 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.248 -0.368 19459 12367 1 19 . 1 1 57 57 ARG C C 57 171.638 171.638 175.575 -3.937 19459 12368 1 19 . 1 1 57 57 ARG CA C 57 55.927 55.927 58.878 -2.951 19459 12369 1 19 . 1 1 57 57 ARG CB C 57 32.157 32.157 31.101 1.056 19459 12370 1 19 . 1 1 57 57 ARG H H 57 7.352 7.352 8.328 -0.976 19459 12371 1 19 . 1 1 58 58 CYS N N 58 115.000 115.000 115.254 -0.254 19459 12372 1 19 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.678 0.896 19459 12373 1 19 . 1 1 58 58 CYS C C 58 175.576 175.576 173.214 2.362 19459 12374 1 19 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.397 -4.545 19459 12375 1 19 . 1 1 58 58 CYS CB C 58 43.576 43.576 29.040 14.536 19459 12376 1 19 . 1 1 58 58 CYS H H 58 7.587 7.587 7.909 -0.322 19459 12377 1 19 . 1 1 59 59 ARG N N 59 123.440 123.440 121.520 1.920 19459 12378 1 19 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.565 0.195 19459 12379 1 19 . 1 1 59 59 ARG C C 59 173.566 173.566 174.830 -1.264 19459 12380 1 19 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.848 -0.609 19459 12381 1 19 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.333 -0.531 19459 12382 1 19 . 1 1 59 59 ARG H H 59 8.984 8.984 8.558 0.426 19459 12383 1 19 . 1 1 60 60 ARG N N 60 125.644 125.644 123.165 2.479 19459 12384 1 19 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.272 -0.621 19459 12385 1 19 . 1 1 60 60 ARG C C 60 172.119 172.119 174.888 -2.769 19459 12386 1 19 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.380 2.918 19459 12387 1 19 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.825 -0.557 19459 12388 1 19 . 1 1 60 60 ARG H H 60 9.163 9.163 8.498 0.665 19459 12389 1 19 . 1 1 61 61 LYS N N 61 124.217 124.217 122.758 1.459 19459 12390 1 19 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.377 -0.260 19459 12391 1 19 . 1 1 61 61 LYS C C 61 173.791 173.791 175.669 -1.878 19459 12392 1 19 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.249 2.949 19459 12393 1 19 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.811 0.403 19459 12394 1 19 . 1 1 61 61 LYS H H 61 8.601 8.601 8.284 0.317 19459 12395 1 19 . 1 1 62 62 SER N N 62 114.120 114.120 117.476 -3.356 19459 12396 1 19 . 1 1 62 62 SER HA H 62 4.765 4.765 4.324 0.441 19459 12397 1 19 . 1 1 62 62 SER C C 62 175.019 175.019 174.231 0.788 19459 12398 1 19 . 1 1 62 62 SER CA C 62 58.227 58.227 58.094 0.133 19459 12399 1 19 . 1 1 62 62 SER CB C 62 65.387 65.387 64.001 1.386 19459 12400 1 19 . 1 1 62 62 SER H H 62 8.494 8.494 8.479 0.015 19459 12401 1 19 . 1 1 63 63 CYS N N 63 122.858 122.858 123.926 -1.068 19459 12402 1 19 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.370 -0.302 19459 12403 1 19 . 1 1 63 63 CYS C C 63 176.076 176.076 174.972 1.104 19459 12404 1 19 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.755 2.512 19459 12405 1 19 . 1 1 63 63 CYS CB C 63 40.768 40.768 27.698 13.070 19459 12406 1 19 . 1 1 63 63 CYS H H 63 8.359 8.359 8.635 -0.276 19459 12407 1 19 . 1 1 64 64 ARG N N 64 118.145 118.145 121.400 -3.255 19459 12408 1 19 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.664 -0.498 19459 12409 1 19 . 1 1 64 64 ARG C C 64 173.077 173.077 173.951 -0.874 19459 12410 1 19 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.919 1.061 19459 12411 1 19 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.550 -2.091 19459 12412 1 19 . 1 1 64 64 ARG H H 64 8.496 8.496 8.446 0.050 19459 12413 1 19 . 1 1 65 65 ASN N N 65 122.302 122.302 121.153 1.149 19459 12414 1 19 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.174 -0.440 19459 12415 1 19 . 1 1 65 65 ASN C C 65 175.117 175.117 173.843 1.274 19459 12416 1 19 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.687 0.425 19459 12417 1 19 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.154 -0.787 19459 12418 1 19 . 1 1 65 65 ASN H H 65 8.691 8.691 8.699 -0.008 19459 12419 1 19 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.324 0.159 19459 12420 1 19 . 1 1 67 67 PRO C C 67 172.228 172.228 177.003 -4.775 19459 12421 1 19 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.426 -1.760 19459 12422 1 19 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.965 0.522 19459 12423 1 19 . 1 1 68 68 ASP N N 68 118.184 118.184 118.985 -0.801 19459 12424 1 19 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.329 0.313 19459 12425 1 19 . 1 1 68 68 ASP C C 68 173.951 173.951 173.993 -0.042 19459 12426 1 19 . 1 1 68 68 ASP CA C 68 53.179 53.179 55.307 -2.128 19459 12427 1 19 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.816 0.684 19459 12428 1 19 . 1 1 68 68 ASP H H 68 8.201 8.201 7.930 0.271 19459 12429 1 19 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.587 -0.351 19459 12430 1 19 . 1 1 69 69 PRO C C 69 172.350 172.350 177.094 -4.744 19459 12431 1 19 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.571 -0.660 19459 12432 1 19 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.501 -1.266 19459 12433 1 19 . 1 1 70 70 VAL N N 70 125.745 125.745 121.660 4.085 19459 12434 1 19 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.809 -0.150 19459 12435 1 19 . 1 1 70 70 VAL C C 70 171.231 171.231 176.749 -5.518 19459 12436 1 19 . 1 1 70 70 VAL CA C 70 64.664 64.664 64.832 -0.168 19459 12437 1 19 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.642 -0.791 19459 12438 1 19 . 1 1 70 70 VAL H H 70 8.251 8.251 8.735 -0.484 19459 12439 1 19 . 1 1 71 71 ASN N N 71 119.702 119.702 116.243 3.459 19459 12440 1 19 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.693 -0.692 19459 12441 1 19 . 1 1 71 71 ASN C C 71 176.167 176.167 175.760 0.407 19459 12442 1 19 . 1 1 71 71 ASN CA C 71 55.520 55.520 52.200 3.320 19459 12443 1 19 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.451 -2.209 19459 12444 1 19 . 1 1 71 71 ASN H H 71 8.994 8.994 8.216 0.778 19459 12445 1 19 . 1 1 72 72 GLY N N 72 104.254 104.254 108.184 -3.930 19459 12446 1 19 . 1 1 72 72 GLY C C 72 177.732 177.732 174.468 3.264 19459 12447 1 19 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.535 1.562 19459 12448 1 19 . 1 1 72 72 GLY H H 72 7.637 7.637 7.989 -0.352 19459 12449 1 19 . 1 1 73 73 MET N N 73 116.529 116.529 117.998 -1.469 19459 12450 1 19 . 1 1 73 73 MET HA H 73 4.887 4.887 4.426 0.461 19459 12451 1 19 . 1 1 73 73 MET C C 73 175.128 175.128 175.615 -0.487 19459 12452 1 19 . 1 1 73 73 MET CA C 73 54.890 54.890 55.219 -0.329 19459 12453 1 19 . 1 1 73 73 MET CB C 73 36.837 36.837 32.802 4.035 19459 12454 1 19 . 1 1 73 73 MET H H 73 8.819 8.819 8.082 0.737 19459 12455 1 19 . 1 1 74 74 VAL N N 74 122.511 122.511 120.504 2.007 19459 12456 1 19 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.177 0.426 19459 12457 1 19 . 1 1 74 74 VAL C C 74 176.573 176.573 175.993 0.580 19459 12458 1 19 . 1 1 74 74 VAL CA C 74 59.009 59.009 62.162 -3.153 19459 12459 1 19 . 1 1 74 74 VAL CB C 74 34.502 34.502 31.560 2.942 19459 12460 1 19 . 1 1 74 74 VAL H H 74 8.796 8.796 7.313 1.483 19459 12461 1 19 . 1 1 75 75 HIS N N 75 125.200 125.200 127.254 -2.054 19459 12462 1 19 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.793 -0.079 19459 12463 1 19 . 1 1 75 75 HIS C C 75 175.500 175.500 173.611 1.889 19459 12464 1 19 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.959 -1.274 19459 12465 1 19 . 1 1 75 75 HIS CB C 75 29.008 29.008 33.516 -4.508 19459 12466 1 19 . 1 1 75 75 HIS H H 75 8.977 8.977 8.034 0.943 19459 12467 1 19 . 1 1 76 76 VAL N N 76 127.456 127.456 122.080 5.376 19459 12468 1 19 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.298 -0.126 19459 12469 1 19 . 1 1 76 76 VAL C C 76 173.257 173.257 174.938 -1.681 19459 12470 1 19 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.480 1.718 19459 12471 1 19 . 1 1 76 76 VAL CB C 76 31.340 31.340 33.473 -2.133 19459 12472 1 19 . 1 1 76 76 VAL H H 76 8.926 8.926 8.553 0.373 19459 12473 1 19 . 1 1 77 77 ILE N N 77 126.756 126.756 128.539 -1.783 19459 12474 1 19 . 1 1 77 77 ILE HA H 77 4.151 4.151 4.101 0.050 19459 12475 1 19 . 1 1 77 77 ILE C C 77 172.744 172.744 177.229 -4.485 19459 12476 1 19 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.590 -0.656 19459 12477 1 19 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.584 0.588 19459 12478 1 19 . 1 1 77 77 ILE H H 77 7.978 7.978 8.476 -0.498 19459 12479 1 19 . 1 1 78 78 LYS N N 78 123.427 123.427 119.642 3.785 19459 12480 1 19 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.376 0.201 19459 12481 1 19 . 1 1 78 78 LYS C C 78 172.800 172.800 177.132 -4.332 19459 12482 1 19 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.936 -0.553 19459 12483 1 19 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.510 0.342 19459 12484 1 19 . 1 1 78 78 LYS H H 78 9.415 9.415 8.240 1.175 19459 12485 1 19 . 1 1 79 79 GLY N N 79 108.777 108.777 107.246 1.531 19459 12486 1 19 . 1 1 79 79 GLY C C 79 176.221 176.221 174.160 2.061 19459 12487 1 19 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.024 -0.142 19459 12488 1 19 . 1 1 79 79 GLY H H 79 7.857 7.857 8.225 -0.368 19459 12489 1 19 . 1 1 80 80 ILE N N 80 109.131 109.131 117.597 -8.466 19459 12490 1 19 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.026 0.932 19459 12491 1 19 . 1 1 80 80 ILE C C 80 174.883 174.883 174.624 0.259 19459 12492 1 19 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.819 -1.162 19459 12493 1 19 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.624 2.087 19459 12494 1 19 . 1 1 80 80 ILE H H 80 8.076 8.076 8.021 0.055 19459 12495 1 19 . 1 1 81 81 GLN N N 81 116.732 116.732 121.676 -4.944 19459 12496 1 19 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.539 0.127 19459 12497 1 19 . 1 1 81 81 GLN C C 81 172.989 172.989 173.944 -0.955 19459 12498 1 19 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.254 1.247 19459 12499 1 19 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.287 -1.613 19459 12500 1 19 . 1 1 81 81 GLN H H 81 7.682 7.682 8.193 -0.511 19459 12501 1 19 . 1 1 82 82 PHE N N 82 119.773 119.773 120.818 -1.045 19459 12502 1 19 . 1 1 82 82 PHE HA H 82 3.880 3.880 3.992 -0.112 19459 12503 1 19 . 1 1 82 82 PHE C C 82 173.680 173.680 176.469 -2.789 19459 12504 1 19 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.606 -0.921 19459 12505 1 19 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.128 0.991 19459 12506 1 19 . 1 1 82 82 PHE H H 82 8.615 8.615 8.650 -0.035 19459 12507 1 19 . 1 1 83 83 GLY N N 83 119.507 119.507 116.113 3.394 19459 12508 1 19 . 1 1 83 83 GLY C C 83 174.662 174.662 174.165 0.497 19459 12509 1 19 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.485 0.006 19459 12510 1 19 . 1 1 83 83 GLY H H 83 9.086 9.086 7.981 1.105 19459 12511 1 19 . 1 1 84 84 SER N N 84 118.128 118.128 118.505 -0.377 19459 12512 1 19 . 1 1 84 84 SER HA H 84 4.415 4.415 4.515 -0.100 19459 12513 1 19 . 1 1 84 84 SER C C 84 177.247 177.247 173.307 3.940 19459 12514 1 19 . 1 1 84 84 SER CA C 84 60.111 60.111 59.218 0.893 19459 12515 1 19 . 1 1 84 84 SER CB C 84 64.281 64.281 64.458 -0.177 19459 12516 1 19 . 1 1 84 84 SER H H 84 8.573 8.573 7.756 0.817 19459 12517 1 19 . 1 1 85 85 GLN N N 85 119.913 119.913 123.678 -3.765 19459 12518 1 19 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.758 0.061 19459 12519 1 19 . 1 1 85 85 GLN C C 85 172.795 172.795 174.830 -2.035 19459 12520 1 19 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.279 -0.113 19459 12521 1 19 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.509 0.235 19459 12522 1 19 . 1 1 85 85 GLN H H 85 8.211 8.211 8.594 -0.383 19459 12523 1 19 . 1 1 86 86 ILE N N 86 119.724 119.724 119.554 0.170 19459 12524 1 19 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.124 -0.367 19459 12525 1 19 . 1 1 86 86 ILE C C 86 174.969 174.969 173.837 1.132 19459 12526 1 19 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.529 1.298 19459 12527 1 19 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.859 -1.065 19459 12528 1 19 . 1 1 86 86 ILE H H 86 9.215 9.215 9.093 0.122 19459 12529 1 19 . 1 1 87 87 LYS N N 87 117.135 117.135 120.390 -3.255 19459 12530 1 19 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.995 0.240 19459 12531 1 19 . 1 1 87 87 LYS C C 87 174.599 174.599 175.241 -0.642 19459 12532 1 19 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.288 -0.575 19459 12533 1 19 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.588 2.239 19459 12534 1 19 . 1 1 87 87 LYS H H 87 7.600 7.600 8.337 -0.737 19459 12535 1 19 . 1 1 88 88 TYR N N 88 119.004 119.004 122.529 -3.525 19459 12536 1 19 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.809 0.613 19459 12537 1 19 . 1 1 88 88 TYR C C 88 174.407 174.407 174.736 -0.329 19459 12538 1 19 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.191 -0.256 19459 12539 1 19 . 1 1 88 88 TYR CB C 88 43.959 43.959 41.251 2.708 19459 12540 1 19 . 1 1 88 88 TYR H H 88 8.601 8.601 9.287 -0.685 19459 12541 1 19 . 1 1 89 89 SER N N 89 113.228 113.228 117.734 -4.506 19459 12542 1 19 . 1 1 89 89 SER HA H 89 4.668 4.668 5.128 -0.460 19459 12543 1 19 . 1 1 89 89 SER C C 89 177.136 177.136 173.752 3.384 19459 12544 1 19 . 1 1 89 89 SER CA C 89 57.291 57.291 55.879 1.412 19459 12545 1 19 . 1 1 89 89 SER CB C 89 66.534 66.534 65.590 0.944 19459 12546 1 19 . 1 1 89 89 SER H H 89 9.007 9.007 8.647 0.360 19459 12547 1 19 . 1 1 90 90 CYS N N 90 116.009 116.009 121.656 -5.647 19459 12548 1 19 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.752 0.669 19459 12549 1 19 . 1 1 90 90 CYS C C 90 173.812 173.812 174.307 -0.495 19459 12550 1 19 . 1 1 90 90 CYS CA C 90 53.084 53.084 57.565 -4.481 19459 12551 1 19 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.134 13.270 19459 12552 1 19 . 1 1 90 90 CYS H H 90 8.806 8.806 8.346 0.460 19459 12553 1 19 . 1 1 91 91 THR N N 91 120.813 120.813 111.824 8.989 19459 12554 1 19 . 1 1 91 91 THR HA H 91 3.994 3.994 4.385 -0.391 19459 12555 1 19 . 1 1 91 91 THR C C 91 176.445 176.445 173.783 2.662 19459 12556 1 19 . 1 1 91 91 THR CA C 91 63.440 63.440 60.964 2.476 19459 12557 1 19 . 1 1 91 91 THR CB C 91 69.608 69.608 71.815 -2.207 19459 12558 1 19 . 1 1 91 91 THR H H 91 8.737 8.737 6.644 2.093 19459 12559 1 19 . 1 1 92 92 LYS N N 92 124.963 124.963 122.456 2.507 19459 12560 1 19 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.183 -0.079 19459 12561 1 19 . 1 1 92 92 LYS C C 92 172.310 172.310 177.727 -5.417 19459 12562 1 19 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.860 1.027 19459 12563 1 19 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.634 -0.495 19459 12564 1 19 . 1 1 92 92 LYS H H 92 8.325 8.325 8.453 -0.128 19459 12565 1 19 . 1 1 93 93 GLY N N 93 113.608 113.608 108.547 5.061 19459 12566 1 19 . 1 1 93 93 GLY C C 93 175.127 175.127 173.037 2.090 19459 12567 1 19 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.665 0.046 19459 12568 1 19 . 1 1 93 93 GLY H H 93 8.827 8.827 7.992 0.835 19459 12569 1 19 . 1 1 94 94 TYR N N 94 119.900 119.900 120.339 -0.439 19459 12570 1 19 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.932 -0.290 19459 12571 1 19 . 1 1 94 94 TYR C C 94 174.548 174.548 173.685 0.863 19459 12572 1 19 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.561 1.597 19459 12573 1 19 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.021 0.173 19459 12574 1 19 . 1 1 94 94 TYR H H 94 8.281 8.281 7.804 0.477 19459 12575 1 19 . 1 1 95 95 ARG N N 95 122.431 122.431 120.746 1.685 19459 12576 1 19 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.273 0.255 19459 12577 1 19 . 1 1 95 95 ARG C C 95 175.179 175.179 174.103 1.076 19459 12578 1 19 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.563 -0.010 19459 12579 1 19 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.368 -0.167 19459 12580 1 19 . 1 1 95 95 ARG H H 95 9.608 9.608 8.436 1.172 19459 12581 1 19 . 1 1 96 96 LEU N N 96 125.652 125.652 124.400 1.252 19459 12582 1 19 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.541 0.121 19459 12583 1 19 . 1 1 96 96 LEU C C 96 172.420 172.420 176.531 -4.111 19459 12584 1 19 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.047 2.457 19459 12585 1 19 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.484 -0.678 19459 12586 1 19 . 1 1 96 96 LEU H H 96 8.231 8.231 8.323 -0.092 19459 12587 1 19 . 1 1 97 97 ILE N N 97 131.597 131.597 125.966 5.631 19459 12588 1 19 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.943 0.297 19459 12589 1 19 . 1 1 97 97 ILE C C 97 174.158 174.158 176.883 -2.725 19459 12590 1 19 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.108 -0.939 19459 12591 1 19 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.870 -0.067 19459 12592 1 19 . 1 1 97 97 ILE H H 97 9.661 9.661 8.290 1.371 19459 12593 1 19 . 1 1 98 98 GLY N N 98 116.731 116.731 107.310 9.421 19459 12594 1 19 . 1 1 98 98 GLY C C 98 176.923 176.923 173.966 2.957 19459 12595 1 19 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.155 -1.091 19459 12596 1 19 . 1 1 98 98 GLY H H 98 8.465 8.465 7.901 0.564 19459 12597 1 19 . 1 1 99 99 SER N N 99 116.632 116.632 116.118 0.514 19459 12598 1 19 . 1 1 99 99 SER HA H 99 4.509 4.509 4.670 -0.161 19459 12599 1 19 . 1 1 99 99 SER C C 99 175.013 175.013 174.173 0.840 19459 12600 1 19 . 1 1 99 99 SER CA C 99 58.328 58.328 57.647 0.681 19459 12601 1 19 . 1 1 99 99 SER CB C 99 63.996 63.996 63.730 0.266 19459 12602 1 19 . 1 1 99 99 SER H H 99 8.759 8.759 8.521 0.238 19459 12603 1 19 . 1 1 100 100 SER N N 100 116.696 116.696 120.629 -3.933 19459 12604 1 19 . 1 1 100 100 SER HA H 100 4.447 4.447 4.371 0.076 19459 12605 1 19 . 1 1 100 100 SER C C 100 175.403 175.403 174.678 0.725 19459 12606 1 19 . 1 1 100 100 SER CA C 100 59.209 59.209 60.417 -1.208 19459 12607 1 19 . 1 1 100 100 SER CB C 100 64.035 64.035 63.692 0.343 19459 12608 1 19 . 1 1 100 100 SER H H 100 8.617 8.617 8.778 -0.161 19459 12609 1 19 . 1 1 101 101 SER N N 101 115.247 115.247 115.895 -0.648 19459 12610 1 19 . 1 1 101 101 SER HA H 101 5.346 5.346 5.324 0.022 19459 12611 1 19 . 1 1 101 101 SER C C 101 176.888 176.888 172.991 3.897 19459 12612 1 19 . 1 1 101 101 SER CA C 101 57.021 57.021 56.878 0.143 19459 12613 1 19 . 1 1 101 101 SER CB C 101 66.391 66.391 64.879 1.512 19459 12614 1 19 . 1 1 101 101 SER H H 101 7.952 7.952 7.772 0.180 19459 12615 1 19 . 1 1 102 102 ALA N N 102 121.438 121.438 129.643 -8.205 19459 12616 1 19 . 1 1 102 102 ALA HA H 102 5.087 5.087 4.502 0.585 19459 12617 1 19 . 1 1 102 102 ALA C C 102 173.807 173.807 176.600 -2.793 19459 12618 1 19 . 1 1 102 102 ALA CA C 102 51.823 51.823 52.228 -0.405 19459 12619 1 19 . 1 1 102 102 ALA CB C 102 24.071 24.071 20.098 3.974 19459 12620 1 19 . 1 1 102 102 ALA H H 102 8.286 8.286 8.240 0.046 19459 12621 1 19 . 1 1 103 103 THR N N 103 118.007 118.007 117.886 0.121 19459 12622 1 19 . 1 1 103 103 THR HA H 103 5.560 5.560 5.216 0.344 19459 12623 1 19 . 1 1 103 103 THR C C 103 176.159 176.159 174.043 2.116 19459 12624 1 19 . 1 1 103 103 THR CA C 103 61.342 61.342 61.667 -0.325 19459 12625 1 19 . 1 1 103 103 THR CB C 103 71.171 71.171 71.212 -0.041 19459 12626 1 19 . 1 1 103 103 THR H H 103 9.636 9.636 8.249 1.387 19459 12627 1 19 . 1 1 104 104 CYS N N 104 127.602 127.602 128.843 -1.241 19459 12628 1 19 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.830 -0.464 19459 12629 1 19 . 1 1 104 104 CYS C C 104 174.892 174.892 174.422 0.470 19459 12630 1 19 . 1 1 104 104 CYS CA C 104 55.479 55.479 57.783 -2.304 19459 12631 1 19 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.513 12.672 19459 12632 1 19 . 1 1 104 104 CYS H H 104 8.338 8.338 8.978 -0.640 19459 12633 1 19 . 1 1 105 105 ILE N N 105 126.775 126.775 125.374 1.401 19459 12634 1 19 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.055 -0.146 19459 12635 1 19 . 1 1 105 105 ILE C C 105 174.390 174.390 173.404 0.986 19459 12636 1 19 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.761 1.460 19459 12637 1 19 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.453 1.069 19459 12638 1 19 . 1 1 105 105 ILE H H 105 9.375 9.375 8.965 0.410 19459 12639 1 19 . 1 1 106 106 ILE N N 106 118.256 118.256 120.811 -2.555 19459 12640 1 19 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.300 -0.230 19459 12641 1 19 . 1 1 106 106 ILE C C 106 172.560 172.560 177.543 -4.983 19459 12642 1 19 . 1 1 106 106 ILE CA C 106 61.889 61.889 59.051 2.837 19459 12643 1 19 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.117 3.568 19459 12644 1 19 . 1 1 106 106 ILE H H 106 8.041 8.041 7.638 0.403 19459 12645 1 19 . 1 1 107 107 SER N N 107 120.167 120.167 124.133 -3.966 19459 12646 1 19 . 1 1 107 107 SER HA H 107 4.376 4.376 4.170 0.206 19459 12647 1 19 . 1 1 107 107 SER C C 107 174.594 174.594 175.452 -0.858 19459 12648 1 19 . 1 1 107 107 SER CA C 107 57.111 57.111 60.383 -3.272 19459 12649 1 19 . 1 1 107 107 SER CB C 107 63.835 63.835 63.767 0.068 19459 12650 1 19 . 1 1 107 107 SER H H 107 8.013 8.013 9.100 -1.087 19459 12651 1 19 . 1 1 108 108 GLY N N 108 119.089 119.089 109.398 9.691 19459 12652 1 19 . 1 1 108 108 GLY C C 108 174.665 174.665 173.106 1.559 19459 12653 1 19 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.367 2.121 19459 12654 1 19 . 1 1 108 108 GLY H H 108 9.116 9.116 7.579 1.537 19459 12655 1 19 . 1 1 109 109 ASP N N 109 127.143 127.143 121.481 5.662 19459 12656 1 19 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.761 0.000 19459 12657 1 19 . 1 1 109 109 ASP C C 109 173.724 173.724 175.723 -1.999 19459 12658 1 19 . 1 1 109 109 ASP CA C 109 53.723 53.723 53.984 -0.261 19459 12659 1 19 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.904 -0.672 19459 12660 1 19 . 1 1 109 109 ASP H H 109 8.845 8.845 8.276 0.569 19459 12661 1 19 . 1 1 110 110 THR N N 110 115.044 115.044 112.990 2.054 19459 12662 1 19 . 1 1 110 110 THR HA H 110 4.663 4.663 4.575 0.088 19459 12663 1 19 . 1 1 110 110 THR C C 110 175.636 175.636 172.100 3.536 19459 12664 1 19 . 1 1 110 110 THR CA C 110 58.612 58.612 60.484 -1.872 19459 12665 1 19 . 1 1 110 110 THR CB C 110 71.146 71.146 71.228 -0.082 19459 12666 1 19 . 1 1 110 110 THR H H 110 8.134 8.134 7.324 0.810 19459 12667 1 19 . 1 1 111 111 VAL N N 111 115.728 115.728 120.128 -4.400 19459 12668 1 19 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.927 0.388 19459 12669 1 19 . 1 1 111 111 VAL C C 111 174.752 174.752 174.510 0.242 19459 12670 1 19 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.108 -1.467 19459 12671 1 19 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.244 0.580 19459 12672 1 19 . 1 1 111 111 VAL H H 111 8.310 8.310 8.419 -0.109 19459 12673 1 19 . 1 1 112 112 ILE N N 112 117.116 117.116 118.799 -1.683 19459 12674 1 19 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.696 -0.190 19459 12675 1 19 . 1 1 112 112 ILE C C 112 174.637 174.637 174.526 0.111 19459 12676 1 19 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.997 0.498 19459 12677 1 19 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.785 1.407 19459 12678 1 19 . 1 1 112 112 ILE H H 112 8.945 8.945 8.036 0.909 19459 12679 1 19 . 1 1 113 113 TRP N N 113 121.755 121.755 121.555 0.200 19459 12680 1 19 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.001 0.106 19459 12681 1 19 . 1 1 113 113 TRP C C 113 170.413 170.413 176.799 -6.386 19459 12682 1 19 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.960 -0.583 19459 12683 1 19 . 1 1 113 113 TRP CB C 113 30.296 30.296 30.536 -0.240 19459 12684 1 19 . 1 1 113 113 TRP H H 113 7.567 7.567 8.540 -0.973 19459 12685 1 19 . 1 1 114 114 ASP N N 114 123.286 123.286 120.664 2.622 19459 12686 1 19 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.488 -0.281 19459 12687 1 19 . 1 1 114 114 ASP C C 114 174.083 174.083 176.521 -2.438 19459 12688 1 19 . 1 1 114 114 ASP CA C 114 55.401 55.401 56.888 -1.487 19459 12689 1 19 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.511 -1.361 19459 12690 1 19 . 1 1 114 114 ASP H H 114 9.451 9.451 8.857 0.594 19459 12691 1 19 . 1 1 115 115 GLN N N 115 116.139 116.139 118.259 -2.120 19459 12692 1 19 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.125 0.620 19459 12693 1 19 . 1 1 115 115 GLN C C 115 173.639 173.639 176.781 -3.142 19459 12694 1 19 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.456 -3.273 19459 12695 1 19 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.406 2.917 19459 12696 1 19 . 1 1 115 115 GLN H H 115 7.305 7.305 8.278 -0.973 19459 12697 1 19 . 1 1 116 116 GLU N N 116 120.881 120.881 124.082 -3.201 19459 12698 1 19 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.181 0.149 19459 12699 1 19 . 1 1 116 116 GLU C C 116 173.578 173.578 176.706 -3.128 19459 12700 1 19 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.650 -3.493 19459 12701 1 19 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.019 0.196 19459 12702 1 19 . 1 1 116 116 GLU H H 116 8.615 8.615 8.804 -0.189 19459 12703 1 19 . 1 1 117 117 THR N N 117 119.889 119.889 110.071 9.818 19459 12704 1 19 . 1 1 117 117 THR HA H 117 3.609 3.609 4.391 -0.782 19459 12705 1 19 . 1 1 117 117 THR C C 117 176.699 176.699 171.668 5.031 19459 12706 1 19 . 1 1 117 117 THR CA C 117 61.757 61.757 60.755 1.002 19459 12707 1 19 . 1 1 117 117 THR CB C 117 69.799 69.799 69.549 0.250 19459 12708 1 19 . 1 1 117 117 THR H H 117 8.075 8.075 7.554 0.521 19459 12709 1 19 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.293 0.239 19459 12710 1 19 . 1 1 118 118 PRO C C 118 175.300 175.300 176.006 -0.706 19459 12711 1 19 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.930 -0.570 19459 12712 1 19 . 1 1 118 118 PRO CB C 118 32.888 32.888 32.143 0.745 19459 12713 1 19 . 1 1 119 119 ILE N N 119 114.729 114.729 120.632 -5.903 19459 12714 1 19 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.355 -0.068 19459 12715 1 19 . 1 1 119 119 ILE C C 119 174.748 174.748 173.885 0.863 19459 12716 1 19 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.536 -1.294 19459 12717 1 19 . 1 1 119 119 ILE CB C 119 41.184 41.184 42.477 -1.293 19459 12718 1 19 . 1 1 119 119 ILE H H 119 7.874 7.874 7.510 0.364 19459 12719 1 19 . 1 1 120 120 CYS N N 120 123.444 123.444 123.148 0.296 19459 12720 1 19 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.910 0.640 19459 12721 1 19 . 1 1 120 120 CYS C C 120 175.583 175.583 174.563 1.020 19459 12722 1 19 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.469 -4.775 19459 12723 1 19 . 1 1 120 120 CYS CB C 120 41.450 41.450 27.628 13.822 19459 12724 1 19 . 1 1 120 120 CYS H H 120 8.583 8.583 8.408 0.175 19459 12725 1 19 . 1 1 121 121 ASP N N 121 124.459 124.459 124.604 -0.145 19459 12726 1 19 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.482 0.825 19459 12727 1 19 . 1 1 121 121 ASP C C 121 174.495 174.495 176.306 -1.811 19459 12728 1 19 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.756 -3.539 19459 12729 1 19 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.988 2.415 19459 12730 1 19 . 1 1 121 121 ASP H H 121 9.309 9.309 9.157 0.152 19459 12731 1 20 . 1 1 2 2 CYS N N 2 117.967 117.967 118.579 -0.612 19459 12732 1 20 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.791 -0.264 19459 12733 1 20 . 1 1 2 2 CYS C C 2 174.023 174.023 175.708 -1.685 19459 12734 1 20 . 1 1 2 2 CYS CA C 2 58.972 58.972 58.760 0.212 19459 12735 1 20 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.797 17.262 19459 12736 1 20 . 1 1 2 2 CYS H H 2 9.327 9.327 8.268 1.059 19459 12737 1 20 . 1 1 3 3 ASN N N 3 119.722 119.722 115.930 3.792 19459 12738 1 20 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.357 0.892 19459 12739 1 20 . 1 1 3 3 ASN C C 3 175.027 175.027 174.481 0.546 19459 12740 1 20 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.204 -0.691 19459 12741 1 20 . 1 1 3 3 ASN CB C 3 39.643 39.643 38.140 1.503 19459 12742 1 20 . 1 1 3 3 ASN H H 3 8.686 8.686 8.440 0.246 19459 12743 1 20 . 1 1 4 4 ALA N N 4 122.403 122.403 119.243 3.160 19459 12744 1 20 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.612 -0.183 19459 12745 1 20 . 1 1 4 4 ALA C C 4 173.517 173.517 176.165 -2.648 19459 12746 1 20 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.766 -0.953 19459 12747 1 20 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.753 -1.766 19459 12748 1 20 . 1 1 4 4 ALA H H 4 8.401 8.401 8.017 0.384 19459 12749 1 20 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.568 -0.660 19459 12750 1 20 . 1 1 5 5 PRO C C 5 172.806 172.806 177.178 -4.372 19459 12751 1 20 . 1 1 5 5 PRO CA C 5 62.451 62.451 64.288 -1.837 19459 12752 1 20 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.217 -0.665 19459 12753 1 20 . 1 1 6 6 GLU N N 6 121.296 121.296 114.376 6.920 19459 12754 1 20 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.416 -0.225 19459 12755 1 20 . 1 1 6 6 GLU C C 6 172.835 172.835 174.244 -1.409 19459 12756 1 20 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.921 0.254 19459 12757 1 20 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.658 0.306 19459 12758 1 20 . 1 1 6 6 GLU H H 6 8.443 8.443 8.207 0.236 19459 12759 1 20 . 1 1 7 7 TRP N N 7 124.746 124.746 122.508 2.238 19459 12760 1 20 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.911 -0.979 19459 12761 1 20 . 1 1 7 7 TRP C C 7 174.236 174.236 174.523 -0.287 19459 12762 1 20 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.904 3.008 19459 12763 1 20 . 1 1 7 7 TRP CB C 7 29.033 29.033 30.129 -1.096 19459 12764 1 20 . 1 1 7 7 TRP H H 7 8.674 8.674 8.384 0.290 19459 12765 1 20 . 1 1 8 8 LEU N N 8 125.782 125.782 130.200 -4.418 19459 12766 1 20 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.255 0.301 19459 12767 1 20 . 1 1 8 8 LEU CA C 8 49.965 49.965 49.990 -0.025 19459 12768 1 20 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.652 -0.759 19459 12769 1 20 . 1 1 8 8 LEU H H 8 7.922 7.922 7.711 0.211 19459 12770 1 20 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.866 -0.268 19459 12771 1 20 . 1 1 9 9 PRO C C 9 172.961 172.961 176.481 -3.520 19459 12772 1 20 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.061 -0.521 19459 12773 1 20 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.731 -0.294 19459 12774 1 20 . 1 1 10 10 PHE N N 10 106.863 106.863 112.643 -5.780 19459 12775 1 20 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.577 -0.968 19459 12776 1 20 . 1 1 10 10 PHE C C 10 175.535 175.535 173.677 1.858 19459 12777 1 20 . 1 1 10 10 PHE CA C 10 53.857 53.857 54.995 -1.138 19459 12778 1 20 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.621 3.154 19459 12779 1 20 . 1 1 10 10 PHE H H 10 5.588 5.588 7.009 -1.421 19459 12780 1 20 . 1 1 11 11 ALA N N 11 121.214 121.214 121.749 -0.535 19459 12781 1 20 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.212 -0.069 19459 12782 1 20 . 1 1 11 11 ALA C C 11 175.918 175.918 175.730 0.188 19459 12783 1 20 . 1 1 11 11 ALA CA C 11 51.868 51.868 51.150 0.718 19459 12784 1 20 . 1 1 11 11 ALA CB C 11 24.730 24.730 22.029 2.700 19459 12785 1 20 . 1 1 11 11 ALA H H 11 6.349 6.349 7.099 -0.750 19459 12786 1 20 . 1 1 12 12 ARG N N 12 117.160 117.160 119.787 -2.627 19459 12787 1 20 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.652 0.045 19459 12788 1 20 . 1 1 12 12 ARG C C 12 178.499 178.499 173.380 5.119 19459 12789 1 20 . 1 1 12 12 ARG CB C 12 30.865 30.865 30.459 0.406 19459 12790 1 20 . 1 1 12 12 ARG H H 12 9.219 9.219 7.865 1.354 19459 12791 1 20 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.829 -1.160 19459 12792 1 20 . 1 1 13 13 PRO C C 13 171.555 171.555 177.045 -5.490 19459 12793 1 20 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.260 -0.879 19459 12794 1 20 . 1 1 13 13 PRO CB C 13 31.548 31.548 33.114 -1.566 19459 12795 1 20 . 1 1 14 14 THR N N 14 112.823 112.823 113.133 -0.310 19459 12796 1 20 . 1 1 14 14 THR HA H 14 3.905 3.905 4.299 -0.394 19459 12797 1 20 . 1 1 14 14 THR C C 14 174.364 174.364 175.255 -0.891 19459 12798 1 20 . 1 1 14 14 THR CA C 14 63.180 63.180 62.844 0.336 19459 12799 1 20 . 1 1 14 14 THR CB C 14 68.154 68.154 69.287 -1.133 19459 12800 1 20 . 1 1 14 14 THR H H 14 8.062 8.062 8.365 -0.303 19459 12801 1 20 . 1 1 15 15 GLN N N 15 119.736 119.736 117.750 1.986 19459 12802 1 20 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.396 0.105 19459 12803 1 20 . 1 1 15 15 GLN C C 15 174.815 174.815 176.467 -1.652 19459 12804 1 20 . 1 1 15 15 GLN CA C 15 54.367 54.367 56.219 -1.853 19459 12805 1 20 . 1 1 15 15 GLN CB C 15 31.116 31.116 27.546 3.570 19459 12806 1 20 . 1 1 15 15 GLN H H 15 7.758 7.758 8.172 -0.414 19459 12807 1 20 . 1 1 16 16 LEU N N 16 124.583 124.583 121.409 3.174 19459 12808 1 20 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.089 0.272 19459 12809 1 20 . 1 1 16 16 LEU C C 16 172.167 172.167 178.600 -6.433 19459 12810 1 20 . 1 1 16 16 LEU CA C 16 55.297 55.297 57.002 -1.705 19459 12811 1 20 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.335 0.699 19459 12812 1 20 . 1 1 16 16 LEU H H 16 8.458 8.458 7.753 0.705 19459 12813 1 20 . 1 1 17 17 THR N N 17 116.730 116.730 112.740 3.990 19459 12814 1 20 . 1 1 17 17 THR HA H 17 4.633 4.633 3.749 0.884 19459 12815 1 20 . 1 1 17 17 THR C C 17 175.703 175.703 174.837 0.866 19459 12816 1 20 . 1 1 17 17 THR CA C 17 60.358 60.358 65.126 -4.768 19459 12817 1 20 . 1 1 17 17 THR CB C 17 70.110 70.110 68.207 1.903 19459 12818 1 20 . 1 1 17 17 THR H H 17 8.325 8.325 7.855 0.470 19459 12819 1 20 . 1 1 18 18 ASP N N 18 122.839 122.839 115.871 6.968 19459 12820 1 20 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.769 -0.027 19459 12821 1 20 . 1 1 18 18 ASP C C 18 173.642 173.642 176.018 -2.376 19459 12822 1 20 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.288 -1.075 19459 12823 1 20 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.701 -1.779 19459 12824 1 20 . 1 1 18 18 ASP H H 18 8.487 8.487 8.079 0.408 19459 12825 1 20 . 1 1 19 19 GLU N N 19 120.523 120.523 119.703 0.820 19459 12826 1 20 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.320 -0.247 19459 12827 1 20 . 1 1 19 19 GLU C C 19 174.249 174.249 178.218 -3.969 19459 12828 1 20 . 1 1 19 19 GLU CA C 19 56.150 56.150 57.731 -1.581 19459 12829 1 20 . 1 1 19 19 GLU CB C 19 29.343 29.343 30.581 -1.238 19459 12830 1 20 . 1 1 19 19 GLU H H 19 7.931 7.931 7.330 0.601 19459 12831 1 20 . 1 1 20 20 PHE N N 20 118.500 118.500 114.323 4.177 19459 12832 1 20 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.218 0.528 19459 12833 1 20 . 1 1 20 20 PHE C C 20 174.885 174.885 174.535 0.350 19459 12834 1 20 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.620 -4.106 19459 12835 1 20 . 1 1 20 20 PHE CB C 20 40.483 40.483 38.102 2.381 19459 12836 1 20 . 1 1 20 20 PHE H H 20 8.279 8.279 8.031 0.248 19459 12837 1 20 . 1 1 21 21 GLU N N 21 117.080 117.080 120.348 -3.268 19459 12838 1 20 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.739 0.271 19459 12839 1 20 . 1 1 21 21 GLU C C 21 174.900 174.900 175.006 -0.106 19459 12840 1 20 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.719 -1.446 19459 12841 1 20 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.479 -0.106 19459 12842 1 20 . 1 1 21 21 GLU H H 21 7.022 7.022 8.165 -1.143 19459 12843 1 20 . 1 1 22 22 PHE N N 22 119.655 119.655 121.596 -1.941 19459 12844 1 20 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.895 0.074 19459 12845 1 20 . 1 1 22 22 PHE C C 22 176.708 176.708 173.337 3.371 19459 12846 1 20 . 1 1 22 22 PHE CA C 22 54.776 54.776 54.924 -0.148 19459 12847 1 20 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.649 -0.903 19459 12848 1 20 . 1 1 22 22 PHE H H 22 8.974 8.974 8.543 0.431 19459 12849 1 20 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.740 -0.152 19459 12850 1 20 . 1 1 23 23 PRO C C 23 171.163 171.163 176.394 -5.231 19459 12851 1 20 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.212 0.206 19459 12852 1 20 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.779 -0.124 19459 12853 1 20 . 1 1 24 24 ILE N N 24 123.238 123.238 119.520 3.718 19459 12854 1 20 . 1 1 24 24 ILE HA H 24 3.410 3.410 4.132 -0.722 19459 12855 1 20 . 1 1 24 24 ILE C C 24 172.283 172.283 177.574 -5.291 19459 12856 1 20 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.206 1.840 19459 12857 1 20 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.990 -0.541 19459 12858 1 20 . 1 1 24 24 ILE H H 24 8.199 8.199 8.544 -0.345 19459 12859 1 20 . 1 1 25 25 GLY N N 25 115.962 115.962 115.414 0.548 19459 12860 1 20 . 1 1 25 25 GLY C C 25 174.927 174.927 174.198 0.729 19459 12861 1 20 . 1 1 25 25 GLY CA C 25 44.423 44.423 45.038 -0.615 19459 12862 1 20 . 1 1 25 25 GLY H H 25 9.061 9.061 8.460 0.601 19459 12863 1 20 . 1 1 26 26 THR N N 26 117.152 117.152 117.348 -0.196 19459 12864 1 20 . 1 1 26 26 THR HA H 26 4.081 4.081 4.880 -0.799 19459 12865 1 20 . 1 1 26 26 THR C C 26 176.723 176.723 173.617 3.106 19459 12866 1 20 . 1 1 26 26 THR CA C 26 65.711 65.711 61.670 4.041 19459 12867 1 20 . 1 1 26 26 THR CB C 26 70.084 70.084 71.243 -1.159 19459 12868 1 20 . 1 1 26 26 THR H H 26 7.704 7.704 7.469 0.235 19459 12869 1 20 . 1 1 27 27 TYR N N 27 125.094 125.094 126.079 -0.985 19459 12870 1 20 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.989 0.803 19459 12871 1 20 . 1 1 27 27 TYR C C 27 173.835 173.835 175.845 -2.010 19459 12872 1 20 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.990 -2.127 19459 12873 1 20 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.492 1.384 19459 12874 1 20 . 1 1 27 27 TYR H H 27 8.542 8.542 8.939 -0.397 19459 12875 1 20 . 1 1 28 28 LEU N N 28 120.714 120.714 123.939 -3.225 19459 12876 1 20 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.461 0.323 19459 12877 1 20 . 1 1 28 28 LEU C C 28 172.808 172.808 176.557 -3.749 19459 12878 1 20 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.195 -0.012 19459 12879 1 20 . 1 1 28 28 LEU CB C 28 45.938 45.938 43.641 2.297 19459 12880 1 20 . 1 1 28 28 LEU H H 28 9.000 9.000 8.875 0.125 19459 12881 1 20 . 1 1 29 29 ASN N N 29 121.617 121.617 123.024 -1.407 19459 12882 1 20 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.637 0.263 19459 12883 1 20 . 1 1 29 29 ASN C C 29 174.783 174.783 174.787 -0.004 19459 12884 1 20 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.812 1.420 19459 12885 1 20 . 1 1 29 29 ASN CB C 29 39.191 39.191 36.956 2.235 19459 12886 1 20 . 1 1 29 29 ASN H H 29 8.544 8.544 8.799 -0.255 19459 12887 1 20 . 1 1 30 30 TYR N N 30 126.738 126.738 121.790 4.948 19459 12888 1 20 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.340 0.346 19459 12889 1 20 . 1 1 30 30 TYR C C 30 174.911 174.911 175.507 -0.596 19459 12890 1 20 . 1 1 30 30 TYR CA C 30 56.901 56.901 58.110 -1.209 19459 12891 1 20 . 1 1 30 30 TYR CB C 30 44.842 44.842 38.983 5.859 19459 12892 1 20 . 1 1 30 30 TYR H H 30 9.324 9.324 8.126 1.198 19459 12893 1 20 . 1 1 31 31 GLU N N 31 114.116 114.116 122.297 -8.181 19459 12894 1 20 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.524 0.186 19459 12895 1 20 . 1 1 31 31 GLU C C 31 173.694 173.694 174.834 -1.140 19459 12896 1 20 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.496 -1.377 19459 12897 1 20 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.294 -0.668 19459 12898 1 20 . 1 1 31 31 GLU H H 31 8.553 8.553 8.218 0.335 19459 12899 1 20 . 1 1 32 32 CYS N N 32 121.086 121.086 121.880 -0.794 19459 12900 1 20 . 1 1 32 32 CYS HA H 32 5.051 5.051 5.342 -0.291 19459 12901 1 20 . 1 1 32 32 CYS C C 32 173.553 173.553 175.819 -2.266 19459 12902 1 20 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.163 -3.683 19459 12903 1 20 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.344 9.143 19459 12904 1 20 . 1 1 32 32 CYS H H 32 9.784 9.784 8.782 1.002 19459 12905 1 20 . 1 1 33 33 ARG N N 33 123.418 123.418 123.169 0.249 19459 12906 1 20 . 1 1 33 33 ARG C C 33 176.822 176.822 174.064 2.758 19459 12907 1 20 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.017 1.294 19459 12908 1 20 . 1 1 33 33 ARG CB C 33 29.343 29.343 28.682 0.661 19459 12909 1 20 . 1 1 33 33 ARG H H 33 7.898 7.898 8.190 -0.292 19459 12910 1 20 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.424 -0.044 19459 12911 1 20 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.551 0.504 19459 12912 1 20 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.823 -0.488 19459 12913 1 20 . 1 1 35 35 GLY N N 35 111.039 111.039 109.794 1.245 19459 12914 1 20 . 1 1 35 35 GLY C C 35 177.546 177.546 173.664 3.882 19459 12915 1 20 . 1 1 35 35 GLY CA C 35 43.899 43.899 45.217 -1.318 19459 12916 1 20 . 1 1 35 35 GLY H H 35 8.378 8.378 8.616 -0.238 19459 12917 1 20 . 1 1 36 36 TYR N N 36 116.682 116.682 117.947 -1.265 19459 12918 1 20 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.751 0.270 19459 12919 1 20 . 1 1 36 36 TYR C C 36 174.005 174.005 175.956 -1.951 19459 12920 1 20 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.488 0.007 19459 12921 1 20 . 1 1 36 36 TYR CB C 36 40.981 40.981 40.139 0.841 19459 12922 1 20 . 1 1 36 36 TYR H H 36 8.175 8.175 7.713 0.462 19459 12923 1 20 . 1 1 37 37 SER N N 37 115.855 115.855 118.404 -2.549 19459 12924 1 20 . 1 1 37 37 SER HA H 37 4.819 4.819 4.244 0.575 19459 12925 1 20 . 1 1 37 37 SER C C 37 175.442 175.442 175.701 -0.259 19459 12926 1 20 . 1 1 37 37 SER CA C 37 56.534 56.534 60.968 -4.434 19459 12927 1 20 . 1 1 37 37 SER CB C 37 65.642 65.642 63.678 1.964 19459 12928 1 20 . 1 1 37 37 SER H H 37 9.711 9.711 8.071 1.640 19459 12929 1 20 . 1 1 38 38 GLY N N 38 113.435 113.435 109.666 3.769 19459 12930 1 20 . 1 1 38 38 GLY C C 38 175.876 175.876 173.515 2.361 19459 12931 1 20 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.606 0.662 19459 12932 1 20 . 1 1 38 38 GLY H H 38 8.288 8.288 8.046 0.242 19459 12933 1 20 . 1 1 39 39 ARG N N 39 124.199 124.199 123.325 0.874 19459 12934 1 20 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.482 0.257 19459 12935 1 20 . 1 1 39 39 ARG C C 39 175.413 175.413 174.630 0.783 19459 12936 1 20 . 1 1 39 39 ARG CA C 39 54.740 54.740 53.384 1.356 19459 12937 1 20 . 1 1 39 39 ARG CB C 39 29.634 29.634 31.211 -1.577 19459 12938 1 20 . 1 1 39 39 ARG H H 39 8.350 8.350 8.448 -0.098 19459 12939 1 20 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.378 0.280 19459 12940 1 20 . 1 1 40 40 PRO C C 40 173.702 173.702 175.707 -2.005 19459 12941 1 20 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.303 1.167 19459 12942 1 20 . 1 1 40 40 PRO CB C 40 32.188 32.188 32.008 0.180 19459 12943 1 20 . 1 1 41 41 PHE N N 41 118.388 118.388 121.168 -2.780 19459 12944 1 20 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.793 0.370 19459 12945 1 20 . 1 1 41 41 PHE C C 41 176.886 176.886 175.285 1.601 19459 12946 1 20 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.752 -1.186 19459 12947 1 20 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.906 -0.642 19459 12948 1 20 . 1 1 41 41 PHE H H 41 8.017 8.017 8.224 -0.207 19459 12949 1 20 . 1 1 42 42 SER N N 42 114.056 114.056 117.472 -3.416 19459 12950 1 20 . 1 1 42 42 SER HA H 42 5.771 5.771 4.936 0.835 19459 12951 1 20 . 1 1 42 42 SER C C 42 174.978 174.978 174.132 0.846 19459 12952 1 20 . 1 1 42 42 SER CA C 42 56.668 56.668 58.327 -1.659 19459 12953 1 20 . 1 1 42 42 SER CB C 42 66.152 66.152 64.152 2.000 19459 12954 1 20 . 1 1 42 42 SER H H 42 8.540 8.540 8.492 0.048 19459 12955 1 20 . 1 1 43 43 ILE N N 43 115.669 115.669 120.006 -4.337 19459 12956 1 20 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.279 0.786 19459 12957 1 20 . 1 1 43 43 ILE C C 43 174.535 174.535 174.544 -0.009 19459 12958 1 20 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.710 -0.666 19459 12959 1 20 . 1 1 43 43 ILE CB C 43 40.355 40.355 38.538 1.817 19459 12960 1 20 . 1 1 43 43 ILE H H 43 8.637 8.637 8.310 0.327 19459 12961 1 20 . 1 1 44 44 ILE N N 44 120.215 120.215 125.698 -5.483 19459 12962 1 20 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.965 0.321 19459 12963 1 20 . 1 1 44 44 ILE C C 44 174.033 174.033 176.381 -2.348 19459 12964 1 20 . 1 1 44 44 ILE CA C 44 59.656 59.656 58.969 0.687 19459 12965 1 20 . 1 1 44 44 ILE CB C 44 42.330 42.330 39.332 2.998 19459 12966 1 20 . 1 1 44 44 ILE H H 44 8.687 8.687 8.086 0.601 19459 12967 1 20 . 1 1 45 45 CYS N N 45 126.257 126.257 128.019 -1.762 19459 12968 1 20 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.108 -0.356 19459 12969 1 20 . 1 1 45 45 CYS C C 45 174.946 174.946 175.229 -0.283 19459 12970 1 20 . 1 1 45 45 CYS CA C 45 55.066 55.066 60.061 -4.995 19459 12971 1 20 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.971 14.640 19459 12972 1 20 . 1 1 45 45 CYS H H 45 7.993 7.993 8.688 -0.695 19459 12973 1 20 . 1 1 46 46 LEU N N 46 132.514 132.514 125.412 7.102 19459 12974 1 20 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.218 0.198 19459 12975 1 20 . 1 1 46 46 LEU C C 46 172.195 172.195 178.155 -5.960 19459 12976 1 20 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.715 -2.371 19459 12977 1 20 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.074 2.130 19459 12978 1 20 . 1 1 46 46 LEU H H 46 8.826 8.826 8.184 0.642 19459 12979 1 20 . 1 1 47 47 LYS N N 47 115.254 115.254 121.062 -5.808 19459 12980 1 20 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.047 -0.059 19459 12981 1 20 . 1 1 47 47 LYS C C 47 173.781 173.781 176.946 -3.165 19459 12982 1 20 . 1 1 47 47 LYS CA C 47 57.983 57.983 58.341 -0.358 19459 12983 1 20 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.566 -1.358 19459 12984 1 20 . 1 1 47 47 LYS H H 47 7.949 7.949 8.023 -0.074 19459 12985 1 20 . 1 1 48 48 ASN N N 48 115.283 115.283 117.233 -1.950 19459 12986 1 20 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.796 -0.260 19459 12987 1 20 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.057 0.483 19459 12988 1 20 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.631 -1.259 19459 12989 1 20 . 1 1 48 48 ASN H H 48 8.432 8.432 8.458 -0.026 19459 12990 1 20 . 1 1 49 49 SER N N 49 110.595 110.595 110.800 -0.205 19459 12991 1 20 . 1 1 49 49 SER HA H 49 3.969 3.969 3.853 0.116 19459 12992 1 20 . 1 1 49 49 SER CA C 49 59.790 59.790 59.596 0.194 19459 12993 1 20 . 1 1 49 49 SER CB C 49 60.870 60.870 62.809 -1.939 19459 12994 1 20 . 1 1 49 49 SER H H 49 8.457 8.457 8.344 0.113 19459 12995 1 20 . 1 1 50 50 VAL N N 50 117.680 117.680 118.042 -0.362 19459 12996 1 20 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.960 0.373 19459 12997 1 20 . 1 1 50 50 VAL C C 50 175.347 175.347 176.255 -0.908 19459 12998 1 20 . 1 1 50 50 VAL CA C 50 59.884 59.884 62.823 -2.939 19459 12999 1 20 . 1 1 50 50 VAL CB C 50 34.837 34.837 32.501 2.336 19459 13000 1 20 . 1 1 50 50 VAL H H 50 6.840 6.840 7.734 -0.894 19459 13001 1 20 . 1 1 51 51 TRP N N 51 123.510 123.510 114.941 8.569 19459 13002 1 20 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.874 0.448 19459 13003 1 20 . 1 1 51 51 TRP C C 51 170.736 170.736 176.344 -5.608 19459 13004 1 20 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.425 -0.488 19459 13005 1 20 . 1 1 51 51 TRP CB C 51 30.791 30.791 32.151 -1.360 19459 13006 1 20 . 1 1 51 51 TRP H H 51 8.310 8.310 7.798 0.512 19459 13007 1 20 . 1 1 52 52 THR N N 52 115.962 115.962 115.676 0.286 19459 13008 1 20 . 1 1 52 52 THR HA H 52 4.656 4.656 4.191 0.465 19459 13009 1 20 . 1 1 52 52 THR C C 52 175.780 175.780 175.794 -0.014 19459 13010 1 20 . 1 1 52 52 THR CA C 52 61.376 61.376 65.138 -3.762 19459 13011 1 20 . 1 1 52 52 THR CB C 52 70.723 70.723 69.253 1.470 19459 13012 1 20 . 1 1 52 52 THR H H 52 9.026 9.026 8.569 0.457 19459 13013 1 20 . 1 1 53 53 GLY N N 53 108.521 108.521 107.043 1.478 19459 13014 1 20 . 1 1 53 53 GLY C C 53 174.881 174.881 173.378 1.503 19459 13015 1 20 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.730 0.614 19459 13016 1 20 . 1 1 53 53 GLY H H 53 8.292 8.292 7.911 0.381 19459 13017 1 20 . 1 1 54 54 ALA N N 54 121.857 121.857 122.819 -0.962 19459 13018 1 20 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.064 0.089 19459 13019 1 20 . 1 1 54 54 ALA C C 54 172.786 172.786 176.575 -3.789 19459 13020 1 20 . 1 1 54 54 ALA CA C 54 51.697 51.697 53.176 -1.479 19459 13021 1 20 . 1 1 54 54 ALA CB C 54 19.714 19.714 17.197 2.517 19459 13022 1 20 . 1 1 54 54 ALA H H 54 8.443 8.443 8.369 0.074 19459 13023 1 20 . 1 1 55 55 LYS N N 55 118.318 118.318 116.853 1.465 19459 13024 1 20 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.785 -1.041 19459 13025 1 20 . 1 1 55 55 LYS C C 55 172.519 172.519 175.821 -3.302 19459 13026 1 20 . 1 1 55 55 LYS CA C 55 57.944 57.944 55.145 2.800 19459 13027 1 20 . 1 1 55 55 LYS CB C 55 32.632 32.632 34.723 -2.091 19459 13028 1 20 . 1 1 55 55 LYS H H 55 7.612 7.612 7.639 -0.027 19459 13029 1 20 . 1 1 56 56 ASP N N 56 119.214 119.214 115.677 3.537 19459 13030 1 20 . 1 1 56 56 ASP HA H 56 4.117 4.117 3.968 0.149 19459 13031 1 20 . 1 1 56 56 ASP C C 56 173.700 173.700 176.733 -3.033 19459 13032 1 20 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.897 -0.513 19459 13033 1 20 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.756 -0.586 19459 13034 1 20 . 1 1 56 56 ASP H H 56 8.555 8.555 9.000 -0.445 19459 13035 1 20 . 1 1 57 57 ARG N N 57 116.006 116.006 117.032 -1.026 19459 13036 1 20 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.146 -0.266 19459 13037 1 20 . 1 1 57 57 ARG C C 57 171.638 171.638 176.581 -4.943 19459 13038 1 20 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.873 -1.946 19459 13039 1 20 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.436 1.720 19459 13040 1 20 . 1 1 57 57 ARG H H 57 7.352 7.352 8.412 -1.060 19459 13041 1 20 . 1 1 58 58 CYS N N 58 115.000 115.000 116.453 -1.453 19459 13042 1 20 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.732 0.842 19459 13043 1 20 . 1 1 58 58 CYS C C 58 175.576 175.576 174.457 1.119 19459 13044 1 20 . 1 1 58 58 CYS CA C 58 52.852 52.852 58.605 -5.753 19459 13045 1 20 . 1 1 58 58 CYS CB C 58 43.576 43.576 27.856 15.720 19459 13046 1 20 . 1 1 58 58 CYS H H 58 7.587 7.587 7.953 -0.366 19459 13047 1 20 . 1 1 59 59 ARG N N 59 123.440 123.440 121.860 1.580 19459 13048 1 20 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.637 0.123 19459 13049 1 20 . 1 1 59 59 ARG C C 59 173.566 173.566 174.893 -1.327 19459 13050 1 20 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.792 -0.553 19459 13051 1 20 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.538 -0.736 19459 13052 1 20 . 1 1 59 59 ARG H H 59 8.984 8.984 8.682 0.302 19459 13053 1 20 . 1 1 60 60 ARG N N 60 125.644 125.644 123.003 2.641 19459 13054 1 20 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.101 -0.450 19459 13055 1 20 . 1 1 60 60 ARG C C 60 172.119 172.119 174.944 -2.825 19459 13056 1 20 . 1 1 60 60 ARG CA C 60 58.298 58.298 54.786 3.512 19459 13057 1 20 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.886 -0.618 19459 13058 1 20 . 1 1 60 60 ARG H H 60 9.163 9.163 8.387 0.776 19459 13059 1 20 . 1 1 61 61 LYS N N 61 124.217 124.217 119.656 4.561 19459 13060 1 20 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.357 -0.240 19459 13061 1 20 . 1 1 61 61 LYS C C 61 173.791 173.791 175.700 -1.909 19459 13062 1 20 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.614 2.584 19459 13063 1 20 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.403 0.811 19459 13064 1 20 . 1 1 61 61 LYS H H 61 8.601 8.601 8.129 0.472 19459 13065 1 20 . 1 1 62 62 SER N N 62 114.120 114.120 116.381 -2.261 19459 13066 1 20 . 1 1 62 62 SER HA H 62 4.765 4.765 4.349 0.416 19459 13067 1 20 . 1 1 62 62 SER C C 62 175.019 175.019 174.191 0.828 19459 13068 1 20 . 1 1 62 62 SER CA C 62 58.227 58.227 58.376 -0.149 19459 13069 1 20 . 1 1 62 62 SER CB C 62 65.387 65.387 63.960 1.427 19459 13070 1 20 . 1 1 62 62 SER H H 62 8.494 8.494 8.472 0.022 19459 13071 1 20 . 1 1 63 63 CYS N N 63 122.858 122.858 123.334 -0.476 19459 13072 1 20 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.484 -0.416 19459 13073 1 20 . 1 1 63 63 CYS C C 63 176.076 176.076 174.088 1.988 19459 13074 1 20 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.697 2.570 19459 13075 1 20 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.752 12.016 19459 13076 1 20 . 1 1 63 63 CYS H H 63 8.359 8.359 8.388 -0.029 19459 13077 1 20 . 1 1 64 64 ARG N N 64 118.145 118.145 122.041 -3.896 19459 13078 1 20 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.726 -0.560 19459 13079 1 20 . 1 1 64 64 ARG C C 64 173.077 173.077 174.070 -0.993 19459 13080 1 20 . 1 1 64 64 ARG CA C 64 55.980 55.980 54.393 1.587 19459 13081 1 20 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.922 -2.463 19459 13082 1 20 . 1 1 64 64 ARG H H 64 8.496 8.496 8.541 -0.045 19459 13083 1 20 . 1 1 65 65 ASN N N 65 122.302 122.302 120.173 2.129 19459 13084 1 20 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.046 -0.312 19459 13085 1 20 . 1 1 65 65 ASN C C 65 175.117 175.117 174.080 1.037 19459 13086 1 20 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.667 0.445 19459 13087 1 20 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.754 -1.387 19459 13088 1 20 . 1 1 65 65 ASN H H 65 8.691 8.691 8.873 -0.182 19459 13089 1 20 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.259 0.224 19459 13090 1 20 . 1 1 67 67 PRO C C 67 172.228 172.228 176.482 -4.254 19459 13091 1 20 . 1 1 67 67 PRO CA C 67 61.666 61.666 64.215 -2.549 19459 13092 1 20 . 1 1 67 67 PRO CB C 67 32.487 32.487 32.136 0.351 19459 13093 1 20 . 1 1 68 68 ASP N N 68 118.184 118.184 117.101 1.083 19459 13094 1 20 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.471 0.171 19459 13095 1 20 . 1 1 68 68 ASP C C 68 173.951 173.951 174.513 -0.562 19459 13096 1 20 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.024 -0.845 19459 13097 1 20 . 1 1 68 68 ASP CB C 68 40.499 40.499 39.989 0.510 19459 13098 1 20 . 1 1 68 68 ASP H H 68 8.201 8.201 8.435 -0.234 19459 13099 1 20 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.512 -0.276 19459 13100 1 20 . 1 1 69 69 PRO C C 69 172.350 172.350 177.444 -5.094 19459 13101 1 20 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.260 -0.349 19459 13102 1 20 . 1 1 69 69 PRO CB C 69 31.235 31.235 33.076 -1.841 19459 13103 1 20 . 1 1 70 70 VAL N N 70 125.745 125.745 120.508 5.237 19459 13104 1 20 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.669 -0.010 19459 13105 1 20 . 1 1 70 70 VAL C C 70 171.231 171.231 177.798 -6.567 19459 13106 1 20 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.017 -0.353 19459 13107 1 20 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.695 -0.844 19459 13108 1 20 . 1 1 70 70 VAL H H 70 8.251 8.251 8.606 -0.355 19459 13109 1 20 . 1 1 71 71 ASN N N 71 119.702 119.702 119.467 0.235 19459 13110 1 20 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.528 -0.527 19459 13111 1 20 . 1 1 71 71 ASN C C 71 176.167 176.167 176.132 0.035 19459 13112 1 20 . 1 1 71 71 ASN CA C 71 55.520 55.520 54.369 1.151 19459 13113 1 20 . 1 1 71 71 ASN CB C 71 36.242 36.242 39.023 -2.781 19459 13114 1 20 . 1 1 71 71 ASN H H 71 8.994 8.994 8.344 0.650 19459 13115 1 20 . 1 1 72 72 GLY N N 72 104.254 104.254 106.732 -2.478 19459 13116 1 20 . 1 1 72 72 GLY C C 72 177.732 177.732 173.742 3.990 19459 13117 1 20 . 1 1 72 72 GLY CA C 72 47.098 47.098 44.710 2.388 19459 13118 1 20 . 1 1 72 72 GLY H H 72 7.637 7.637 8.343 -0.706 19459 13119 1 20 . 1 1 73 73 MET N N 73 116.529 116.529 121.135 -4.606 19459 13120 1 20 . 1 1 73 73 MET HA H 73 4.887 4.887 4.675 0.212 19459 13121 1 20 . 1 1 73 73 MET C C 73 175.128 175.128 174.160 0.968 19459 13122 1 20 . 1 1 73 73 MET CA C 73 54.890 54.890 54.965 -0.075 19459 13123 1 20 . 1 1 73 73 MET CB C 73 36.837 36.837 32.510 4.327 19459 13124 1 20 . 1 1 73 73 MET H H 73 8.819 8.819 7.863 0.956 19459 13125 1 20 . 1 1 74 74 VAL N N 74 122.511 122.511 123.452 -0.941 19459 13126 1 20 . 1 1 74 74 VAL HA H 74 4.603 4.603 5.033 -0.430 19459 13127 1 20 . 1 1 74 74 VAL C C 74 176.573 176.573 175.293 1.280 19459 13128 1 20 . 1 1 74 74 VAL CA C 74 59.009 59.009 59.980 -0.971 19459 13129 1 20 . 1 1 74 74 VAL CB C 74 34.502 34.502 34.147 0.355 19459 13130 1 20 . 1 1 74 74 VAL H H 74 8.796 8.796 7.883 0.913 19459 13131 1 20 . 1 1 75 75 HIS N N 75 125.200 125.200 127.016 -1.816 19459 13132 1 20 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.822 -0.108 19459 13133 1 20 . 1 1 75 75 HIS C C 75 175.500 175.500 173.375 2.125 19459 13134 1 20 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.957 -1.272 19459 13135 1 20 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.997 -3.989 19459 13136 1 20 . 1 1 75 75 HIS H H 75 8.977 8.977 7.967 1.010 19459 13137 1 20 . 1 1 76 76 VAL N N 76 127.456 127.456 124.318 3.138 19459 13138 1 20 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.278 -0.106 19459 13139 1 20 . 1 1 76 76 VAL C C 76 173.257 173.257 175.298 -2.041 19459 13140 1 20 . 1 1 76 76 VAL CA C 76 62.198 62.198 60.562 1.636 19459 13141 1 20 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.908 -1.568 19459 13142 1 20 . 1 1 76 76 VAL H H 76 8.926 8.926 8.544 0.382 19459 13143 1 20 . 1 1 77 77 ILE N N 77 126.756 126.756 129.108 -2.352 19459 13144 1 20 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.904 0.247 19459 13145 1 20 . 1 1 77 77 ILE C C 77 172.744 172.744 177.261 -4.517 19459 13146 1 20 . 1 1 77 77 ILE CA C 77 62.934 62.934 64.011 -1.077 19459 13147 1 20 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.337 0.834 19459 13148 1 20 . 1 1 77 77 ILE H H 77 7.978 7.978 8.505 -0.527 19459 13149 1 20 . 1 1 78 78 LYS N N 78 123.427 123.427 118.715 4.712 19459 13150 1 20 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.439 0.138 19459 13151 1 20 . 1 1 78 78 LYS C C 78 172.800 172.800 176.775 -3.975 19459 13152 1 20 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.303 0.080 19459 13153 1 20 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.590 0.262 19459 13154 1 20 . 1 1 78 78 LYS H H 78 9.415 9.415 8.157 1.258 19459 13155 1 20 . 1 1 79 79 GLY N N 79 108.777 108.777 107.459 1.318 19459 13156 1 20 . 1 1 79 79 GLY C C 79 176.221 176.221 174.181 2.040 19459 13157 1 20 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.342 -0.460 19459 13158 1 20 . 1 1 79 79 GLY H H 79 7.857 7.857 8.408 -0.551 19459 13159 1 20 . 1 1 80 80 ILE N N 80 109.131 109.131 116.087 -6.956 19459 13160 1 20 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.047 0.911 19459 13161 1 20 . 1 1 80 80 ILE C C 80 174.883 174.883 174.189 0.694 19459 13162 1 20 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.559 -0.902 19459 13163 1 20 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.705 2.006 19459 13164 1 20 . 1 1 80 80 ILE H H 80 8.076 8.076 8.194 -0.118 19459 13165 1 20 . 1 1 81 81 GLN N N 81 116.732 116.732 120.531 -3.799 19459 13166 1 20 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.578 0.088 19459 13167 1 20 . 1 1 81 81 GLN C C 81 172.989 172.989 173.918 -0.929 19459 13168 1 20 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.285 1.216 19459 13169 1 20 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.917 -2.243 19459 13170 1 20 . 1 1 81 81 GLN H H 81 7.682 7.682 7.833 -0.151 19459 13171 1 20 . 1 1 82 82 PHE N N 82 119.773 119.773 122.715 -2.942 19459 13172 1 20 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.065 -0.185 19459 13173 1 20 . 1 1 82 82 PHE C C 82 173.680 173.680 176.265 -2.585 19459 13174 1 20 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.582 -0.897 19459 13175 1 20 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.017 1.102 19459 13176 1 20 . 1 1 82 82 PHE H H 82 8.615 8.615 8.567 0.048 19459 13177 1 20 . 1 1 83 83 GLY N N 83 119.507 119.507 116.069 3.438 19459 13178 1 20 . 1 1 83 83 GLY C C 83 174.662 174.662 174.171 0.491 19459 13179 1 20 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.520 -0.029 19459 13180 1 20 . 1 1 83 83 GLY H H 83 9.086 9.086 7.949 1.137 19459 13181 1 20 . 1 1 84 84 SER N N 84 118.128 118.128 117.716 0.412 19459 13182 1 20 . 1 1 84 84 SER HA H 84 4.415 4.415 4.520 -0.105 19459 13183 1 20 . 1 1 84 84 SER C C 84 177.247 177.247 173.505 3.742 19459 13184 1 20 . 1 1 84 84 SER CA C 84 60.111 60.111 59.489 0.622 19459 13185 1 20 . 1 1 84 84 SER CB C 84 64.281 64.281 64.584 -0.303 19459 13186 1 20 . 1 1 84 84 SER H H 84 8.573 8.573 7.790 0.782 19459 13187 1 20 . 1 1 85 85 GLN N N 85 119.913 119.913 122.621 -2.708 19459 13188 1 20 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.943 -0.124 19459 13189 1 20 . 1 1 85 85 GLN C C 85 172.795 172.795 174.912 -2.117 19459 13190 1 20 . 1 1 85 85 GLN CA C 85 54.165 54.165 53.998 0.167 19459 13191 1 20 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.805 -0.061 19459 13192 1 20 . 1 1 85 85 GLN H H 85 8.211 8.211 8.504 -0.293 19459 13193 1 20 . 1 1 86 86 ILE N N 86 119.724 119.724 118.615 1.109 19459 13194 1 20 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.134 -0.377 19459 13195 1 20 . 1 1 86 86 ILE C C 86 174.969 174.969 174.009 0.960 19459 13196 1 20 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.599 1.228 19459 13197 1 20 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.684 -0.890 19459 13198 1 20 . 1 1 86 86 ILE H H 86 9.215 9.215 8.813 0.402 19459 13199 1 20 . 1 1 87 87 LYS N N 87 117.135 117.135 120.370 -3.235 19459 13200 1 20 . 1 1 87 87 LYS HA H 87 5.235 5.235 5.051 0.184 19459 13201 1 20 . 1 1 87 87 LYS C C 87 174.599 174.599 175.094 -0.495 19459 13202 1 20 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.249 -0.536 19459 13203 1 20 . 1 1 87 87 LYS CB C 87 36.827 36.827 35.217 1.610 19459 13204 1 20 . 1 1 87 87 LYS H H 87 7.600 7.600 8.693 -1.093 19459 13205 1 20 . 1 1 88 88 TYR N N 88 119.004 119.004 123.901 -4.897 19459 13206 1 20 . 1 1 88 88 TYR HA H 88 5.422 5.422 5.265 0.157 19459 13207 1 20 . 1 1 88 88 TYR C C 88 174.407 174.407 175.543 -1.136 19459 13208 1 20 . 1 1 88 88 TYR CA C 88 56.935 56.935 57.181 -0.246 19459 13209 1 20 . 1 1 88 88 TYR CB C 88 43.959 43.959 41.015 2.944 19459 13210 1 20 . 1 1 88 88 TYR H H 88 8.601 8.601 9.260 -0.659 19459 13211 1 20 . 1 1 89 89 SER N N 89 113.228 113.228 116.960 -3.732 19459 13212 1 20 . 1 1 89 89 SER HA H 89 4.668 4.668 5.233 -0.565 19459 13213 1 20 . 1 1 89 89 SER C C 89 177.136 177.136 173.247 3.889 19459 13214 1 20 . 1 1 89 89 SER CA C 89 57.291 57.291 56.353 0.938 19459 13215 1 20 . 1 1 89 89 SER CB C 89 66.534 66.534 66.033 0.501 19459 13216 1 20 . 1 1 89 89 SER H H 89 9.007 9.007 8.799 0.208 19459 13217 1 20 . 1 1 90 90 CYS N N 90 116.009 116.009 116.939 -0.930 19459 13218 1 20 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.443 0.978 19459 13219 1 20 . 1 1 90 90 CYS C C 90 173.812 173.812 173.522 0.290 19459 13220 1 20 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.289 -5.205 19459 13221 1 20 . 1 1 90 90 CYS CB C 90 41.404 41.404 28.057 13.347 19459 13222 1 20 . 1 1 90 90 CYS H H 90 8.806 8.806 8.372 0.434 19459 13223 1 20 . 1 1 91 91 THR N N 91 120.813 120.813 112.193 8.620 19459 13224 1 20 . 1 1 91 91 THR HA H 91 3.994 3.994 4.434 -0.440 19459 13225 1 20 . 1 1 91 91 THR C C 91 176.445 176.445 174.460 1.985 19459 13226 1 20 . 1 1 91 91 THR CA C 91 63.440 63.440 61.286 2.154 19459 13227 1 20 . 1 1 91 91 THR CB C 91 69.608 69.608 70.904 -1.296 19459 13228 1 20 . 1 1 91 91 THR H H 91 8.737 8.737 6.618 2.119 19459 13229 1 20 . 1 1 92 92 LYS N N 92 124.963 124.963 120.510 4.453 19459 13230 1 20 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.297 -0.193 19459 13231 1 20 . 1 1 92 92 LYS C C 92 172.310 172.310 177.642 -5.332 19459 13232 1 20 . 1 1 92 92 LYS CA C 92 58.887 58.887 58.109 0.778 19459 13233 1 20 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.515 -0.376 19459 13234 1 20 . 1 1 92 92 LYS H H 92 8.325 8.325 8.515 -0.190 19459 13235 1 20 . 1 1 93 93 GLY N N 93 113.608 113.608 109.034 4.574 19459 13236 1 20 . 1 1 93 93 GLY C C 93 175.127 175.127 172.816 2.311 19459 13237 1 20 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.385 0.326 19459 13238 1 20 . 1 1 93 93 GLY H H 93 8.827 8.827 8.333 0.494 19459 13239 1 20 . 1 1 94 94 TYR N N 94 119.900 119.900 118.859 1.041 19459 13240 1 20 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.887 -0.245 19459 13241 1 20 . 1 1 94 94 TYR C C 94 174.548 174.548 173.336 1.212 19459 13242 1 20 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.895 1.263 19459 13243 1 20 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.175 0.019 19459 13244 1 20 . 1 1 94 94 TYR H H 94 8.281 8.281 7.539 0.742 19459 13245 1 20 . 1 1 95 95 ARG N N 95 122.431 122.431 119.772 2.659 19459 13246 1 20 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.160 0.368 19459 13247 1 20 . 1 1 95 95 ARG C C 95 175.179 175.179 173.820 1.359 19459 13248 1 20 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.338 0.215 19459 13249 1 20 . 1 1 95 95 ARG CB C 95 32.201 32.201 33.133 -0.932 19459 13250 1 20 . 1 1 95 95 ARG H H 95 9.608 9.608 8.314 1.294 19459 13251 1 20 . 1 1 96 96 LEU N N 96 125.652 125.652 123.352 2.300 19459 13252 1 20 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.617 0.045 19459 13253 1 20 . 1 1 96 96 LEU C C 96 172.420 172.420 176.413 -3.993 19459 13254 1 20 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.073 2.430 19459 13255 1 20 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.551 -0.745 19459 13256 1 20 . 1 1 96 96 LEU H H 96 8.231 8.231 8.326 -0.095 19459 13257 1 20 . 1 1 97 97 ILE N N 97 131.597 131.597 124.068 7.529 19459 13258 1 20 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.957 0.283 19459 13259 1 20 . 1 1 97 97 ILE C C 97 174.158 174.158 176.735 -2.577 19459 13260 1 20 . 1 1 97 97 ILE CA C 97 61.169 61.169 61.633 -0.464 19459 13261 1 20 . 1 1 97 97 ILE CB C 97 37.803 37.803 38.051 -0.248 19459 13262 1 20 . 1 1 97 97 ILE H H 97 9.661 9.661 8.377 1.284 19459 13263 1 20 . 1 1 98 98 GLY N N 98 116.731 116.731 107.247 9.484 19459 13264 1 20 . 1 1 98 98 GLY C C 98 176.923 176.923 173.836 3.087 19459 13265 1 20 . 1 1 98 98 GLY CA C 98 43.064 43.064 44.024 -0.960 19459 13266 1 20 . 1 1 98 98 GLY H H 98 8.465 8.465 7.808 0.657 19459 13267 1 20 . 1 1 99 99 SER N N 99 116.632 116.632 115.942 0.690 19459 13268 1 20 . 1 1 99 99 SER HA H 99 4.509 4.509 4.399 0.110 19459 13269 1 20 . 1 1 99 99 SER C C 99 175.013 175.013 175.127 -0.114 19459 13270 1 20 . 1 1 99 99 SER CA C 99 58.328 58.328 58.730 -0.402 19459 13271 1 20 . 1 1 99 99 SER CB C 99 63.996 63.996 63.191 0.805 19459 13272 1 20 . 1 1 99 99 SER H H 99 8.759 8.759 8.383 0.376 19459 13273 1 20 . 1 1 100 100 SER N N 100 116.696 116.696 118.254 -1.558 19459 13274 1 20 . 1 1 100 100 SER HA H 100 4.447 4.447 4.501 -0.054 19459 13275 1 20 . 1 1 100 100 SER C C 100 175.403 175.403 174.327 1.076 19459 13276 1 20 . 1 1 100 100 SER CA C 100 59.209 59.209 59.406 -0.197 19459 13277 1 20 . 1 1 100 100 SER CB C 100 64.035 64.035 63.586 0.449 19459 13278 1 20 . 1 1 100 100 SER H H 100 8.617 8.617 8.802 -0.185 19459 13279 1 20 . 1 1 101 101 SER N N 101 115.247 115.247 115.812 -0.565 19459 13280 1 20 . 1 1 101 101 SER HA H 101 5.346 5.346 5.409 -0.063 19459 13281 1 20 . 1 1 101 101 SER C C 101 176.888 176.888 173.163 3.725 19459 13282 1 20 . 1 1 101 101 SER CA C 101 57.021 57.021 57.391 -0.370 19459 13283 1 20 . 1 1 101 101 SER CB C 101 66.391 66.391 66.657 -0.266 19459 13284 1 20 . 1 1 101 101 SER H H 101 7.952 7.952 7.612 0.340 19459 13285 1 20 . 1 1 102 102 ALA N N 102 121.438 121.438 121.883 -0.445 19459 13286 1 20 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.154 -0.067 19459 13287 1 20 . 1 1 102 102 ALA C C 102 173.807 173.807 175.837 -2.030 19459 13288 1 20 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.042 0.781 19459 13289 1 20 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.669 1.402 19459 13290 1 20 . 1 1 102 102 ALA H H 102 8.286 8.286 8.514 -0.228 19459 13291 1 20 . 1 1 103 103 THR N N 103 118.007 118.007 118.888 -0.881 19459 13292 1 20 . 1 1 103 103 THR HA H 103 5.560 5.560 5.469 0.091 19459 13293 1 20 . 1 1 103 103 THR C C 103 176.159 176.159 174.452 1.707 19459 13294 1 20 . 1 1 103 103 THR CA C 103 61.342 61.342 61.807 -0.465 19459 13295 1 20 . 1 1 103 103 THR CB C 103 71.171 71.171 71.035 0.136 19459 13296 1 20 . 1 1 103 103 THR H H 103 9.636 9.636 9.632 0.004 19459 13297 1 20 . 1 1 104 104 CYS N N 104 127.602 127.602 127.293 0.309 19459 13298 1 20 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.988 -0.622 19459 13299 1 20 . 1 1 104 104 CYS C C 104 174.892 174.892 175.161 -0.269 19459 13300 1 20 . 1 1 104 104 CYS CA C 104 55.479 55.479 59.575 -4.096 19459 13301 1 20 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.457 12.728 19459 13302 1 20 . 1 1 104 104 CYS H H 104 8.338 8.338 8.616 -0.278 19459 13303 1 20 . 1 1 105 105 ILE N N 105 126.775 126.775 122.415 4.360 19459 13304 1 20 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.020 -0.111 19459 13305 1 20 . 1 1 105 105 ILE C C 105 174.390 174.390 173.802 0.588 19459 13306 1 20 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.938 1.283 19459 13307 1 20 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.281 1.241 19459 13308 1 20 . 1 1 105 105 ILE H H 105 9.375 9.375 9.344 0.031 19459 13309 1 20 . 1 1 106 106 ILE N N 106 118.256 118.256 123.502 -5.246 19459 13310 1 20 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.010 0.060 19459 13311 1 20 . 1 1 106 106 ILE C C 106 172.560 172.560 176.818 -4.258 19459 13312 1 20 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.653 1.236 19459 13313 1 20 . 1 1 106 106 ILE CB C 106 39.685 39.685 37.495 2.189 19459 13314 1 20 . 1 1 106 106 ILE H H 106 8.041 8.041 8.492 -0.451 19459 13315 1 20 . 1 1 107 107 SER N N 107 120.167 120.167 122.301 -2.134 19459 13316 1 20 . 1 1 107 107 SER HA H 107 4.376 4.376 4.588 -0.212 19459 13317 1 20 . 1 1 107 107 SER C C 107 174.594 174.594 175.127 -0.533 19459 13318 1 20 . 1 1 107 107 SER CA C 107 57.111 57.111 58.191 -1.080 19459 13319 1 20 . 1 1 107 107 SER CB C 107 63.835 63.835 64.962 -1.127 19459 13320 1 20 . 1 1 107 107 SER H H 107 8.013 8.013 8.895 -0.882 19459 13321 1 20 . 1 1 108 108 GLY N N 108 119.089 119.089 110.886 8.203 19459 13322 1 20 . 1 1 108 108 GLY C C 108 174.665 174.665 172.874 1.791 19459 13323 1 20 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.123 2.365 19459 13324 1 20 . 1 1 108 108 GLY H H 108 9.116 9.116 7.456 1.660 19459 13325 1 20 . 1 1 109 109 ASP N N 109 127.143 127.143 124.069 3.074 19459 13326 1 20 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.624 0.137 19459 13327 1 20 . 1 1 109 109 ASP C C 109 173.724 173.724 175.381 -1.657 19459 13328 1 20 . 1 1 109 109 ASP CA C 109 53.723 53.723 54.712 -0.989 19459 13329 1 20 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.353 -0.121 19459 13330 1 20 . 1 1 109 109 ASP H H 109 8.845 8.845 8.427 0.418 19459 13331 1 20 . 1 1 110 110 THR N N 110 115.044 115.044 110.968 4.076 19459 13332 1 20 . 1 1 110 110 THR HA H 110 4.663 4.663 4.492 0.171 19459 13333 1 20 . 1 1 110 110 THR C C 110 175.636 175.636 172.445 3.191 19459 13334 1 20 . 1 1 110 110 THR CA C 110 58.612 58.612 60.724 -2.112 19459 13335 1 20 . 1 1 110 110 THR CB C 110 71.146 71.146 70.864 0.283 19459 13336 1 20 . 1 1 110 110 THR H H 110 8.134 8.134 7.243 0.891 19459 13337 1 20 . 1 1 111 111 VAL N N 111 115.728 115.728 119.982 -4.254 19459 13338 1 20 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.937 0.378 19459 13339 1 20 . 1 1 111 111 VAL C C 111 174.752 174.752 173.762 0.990 19459 13340 1 20 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.024 -1.383 19459 13341 1 20 . 1 1 111 111 VAL CB C 111 33.824 33.824 33.666 0.158 19459 13342 1 20 . 1 1 111 111 VAL H H 111 8.310 8.310 8.415 -0.105 19459 13343 1 20 . 1 1 112 112 ILE N N 112 117.116 117.116 118.297 -1.181 19459 13344 1 20 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.677 -0.171 19459 13345 1 20 . 1 1 112 112 ILE C C 112 174.637 174.637 174.117 0.520 19459 13346 1 20 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.166 1.329 19459 13347 1 20 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.474 1.717 19459 13348 1 20 . 1 1 112 112 ILE H H 112 8.945 8.945 8.565 0.380 19459 13349 1 20 . 1 1 113 113 TRP N N 113 121.755 121.755 121.255 0.500 19459 13350 1 20 . 1 1 113 113 TRP HA H 113 5.107 5.107 4.990 0.117 19459 13351 1 20 . 1 1 113 113 TRP C C 113 170.413 170.413 176.949 -6.536 19459 13352 1 20 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.179 0.198 19459 13353 1 20 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.199 -0.903 19459 13354 1 20 . 1 1 113 113 TRP H H 113 7.567 7.567 8.704 -1.137 19459 13355 1 20 . 1 1 114 114 ASP N N 114 123.286 123.286 119.332 3.954 19459 13356 1 20 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.535 -0.328 19459 13357 1 20 . 1 1 114 114 ASP C C 114 174.083 174.083 176.220 -2.137 19459 13358 1 20 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.626 0.775 19459 13359 1 20 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.179 -1.030 19459 13360 1 20 . 1 1 114 114 ASP H H 114 9.451 9.451 8.471 0.980 19459 13361 1 20 . 1 1 115 115 GLN N N 115 116.139 116.139 119.944 -3.805 19459 13362 1 20 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.149 0.596 19459 13363 1 20 . 1 1 115 115 GLN C C 115 173.639 173.639 176.489 -2.850 19459 13364 1 20 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.612 -3.429 19459 13365 1 20 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.008 3.315 19459 13366 1 20 . 1 1 115 115 GLN H H 115 7.305 7.305 7.880 -0.575 19459 13367 1 20 . 1 1 116 116 GLU N N 116 120.881 120.881 126.015 -5.134 19459 13368 1 20 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.297 0.033 19459 13369 1 20 . 1 1 116 116 GLU C C 116 173.578 173.578 177.050 -3.472 19459 13370 1 20 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.152 -2.995 19459 13371 1 20 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.375 -0.160 19459 13372 1 20 . 1 1 116 116 GLU H H 116 8.615 8.615 8.980 -0.365 19459 13373 1 20 . 1 1 117 117 THR N N 117 119.889 119.889 111.210 8.679 19459 13374 1 20 . 1 1 117 117 THR HA H 117 3.609 3.609 4.389 -0.780 19459 13375 1 20 . 1 1 117 117 THR C C 117 176.699 176.699 171.548 5.151 19459 13376 1 20 . 1 1 117 117 THR CA C 117 61.757 61.757 60.762 0.995 19459 13377 1 20 . 1 1 117 117 THR CB C 117 69.799 69.799 69.347 0.452 19459 13378 1 20 . 1 1 117 117 THR H H 117 8.075 8.075 7.692 0.383 19459 13379 1 20 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.281 0.251 19459 13380 1 20 . 1 1 118 118 PRO C C 118 175.300 175.300 175.915 -0.615 19459 13381 1 20 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.946 -0.585 19459 13382 1 20 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.859 1.029 19459 13383 1 20 . 1 1 119 119 ILE N N 119 114.729 114.729 122.492 -7.763 19459 13384 1 20 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.272 0.015 19459 13385 1 20 . 1 1 119 119 ILE C C 119 174.748 174.748 175.019 -0.271 19459 13386 1 20 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.619 -1.377 19459 13387 1 20 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.429 -0.245 19459 13388 1 20 . 1 1 119 119 ILE H H 119 7.874 7.874 7.871 0.003 19459 13389 1 20 . 1 1 120 120 CYS N N 120 123.444 123.444 126.195 -2.751 19459 13390 1 20 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.850 0.700 19459 13391 1 20 . 1 1 120 120 CYS C C 120 175.583 175.583 175.142 0.441 19459 13392 1 20 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.218 -4.524 19459 13393 1 20 . 1 1 120 120 CYS CB C 120 41.450 41.450 29.695 11.755 19459 13394 1 20 . 1 1 120 120 CYS H H 120 8.583 8.583 8.535 0.048 19459 13395 1 20 . 1 1 121 121 ASP N N 121 124.459 124.459 125.133 -0.674 19459 13396 1 20 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.460 0.847 19459 13397 1 20 . 1 1 121 121 ASP C C 121 174.495 174.495 176.665 -2.170 19459 13398 1 20 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.375 -3.158 19459 13399 1 20 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.336 3.067 19459 13400 1 20 . 1 1 121 121 ASP H H 121 9.309 9.309 9.130 0.179 19459 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 110 3.968 -0.016 3.987 19459 2 1 1 "Average Difference" HA 128 0.450 -0.052 0.449 19459 3 1 1 "Average Difference" C 115 2.878 0.790 2.780 19459 4 1 1 "Average Difference" CA 118 1.854 0.408 1.816 19459 5 1 1 "Average Difference" CB 109 4.031 -1.354 3.815 19459 6 1 1 "Average Difference" HN 110 0.712 -0.230 0.677 19459 7 1 2 "Average Difference" N 110 4.048 -0.108 4.065 19459 8 1 2 "Average Difference" HA 128 0.450 -0.057 0.448 19459 9 1 2 "Average Difference" C 115 2.768 0.765 2.672 19459 10 1 2 "Average Difference" CA 118 1.926 0.469 1.876 19459 11 1 2 "Average Difference" CB 109 3.992 -1.344 3.776 19459 12 1 2 "Average Difference" HN 110 0.699 -0.201 0.672 19459 13 1 3 "Average Difference" N 110 3.981 -0.217 3.994 19459 14 1 3 "Average Difference" HA 128 0.444 -0.060 0.441 19459 15 1 3 "Average Difference" C 115 2.814 0.733 2.729 19459 16 1 3 "Average Difference" CA 118 1.896 0.446 1.850 19459 17 1 3 "Average Difference" CB 109 4.079 -1.348 3.867 19459 18 1 3 "Average Difference" HN 110 0.676 -0.227 0.640 19459 19 1 4 "Average Difference" N 110 4.237 -0.515 4.225 19459 20 1 4 "Average Difference" HA 128 0.469 -0.081 0.463 19459 21 1 4 "Average Difference" C 115 2.781 0.770 2.684 19459 22 1 4 "Average Difference" CA 118 1.967 0.442 1.925 19459 23 1 4 "Average Difference" CB 109 4.092 -1.326 3.889 19459 24 1 4 "Average Difference" HN 110 0.682 -0.177 0.662 19459 25 1 5 "Average Difference" N 110 4.354 -0.144 4.372 19459 26 1 5 "Average Difference" HA 128 0.443 -0.023 0.444 19459 27 1 5 "Average Difference" C 115 2.704 0.691 2.626 19459 28 1 5 "Average Difference" CA 118 1.963 0.369 1.936 19459 29 1 5 "Average Difference" CB 109 4.059 -1.181 3.901 19459 30 1 5 "Average Difference" HN 110 0.614 -0.152 0.597 19459 31 1 6 "Average Difference" N 110 4.171 -0.146 4.188 19459 32 1 6 "Average Difference" HA 128 0.451 -0.060 0.448 19459 33 1 6 "Average Difference" C 115 2.754 0.722 2.669 19459 34 1 6 "Average Difference" CA 118 2.010 0.418 1.974 19459 35 1 6 "Average Difference" CB 109 3.954 -1.311 3.748 19459 36 1 6 "Average Difference" HN 110 0.707 -0.192 0.684 19459 37 1 7 "Average Difference" N 110 3.861 -0.121 3.877 19459 38 1 7 "Average Difference" HA 128 0.430 -0.028 0.431 19459 39 1 7 "Average Difference" C 115 2.798 0.670 2.728 19459 40 1 7 "Average Difference" CA 118 1.791 0.340 1.766 19459 41 1 7 "Average Difference" CB 109 3.925 -1.193 3.757 19459 42 1 7 "Average Difference" HN 110 0.649 -0.193 0.622 19459 43 1 8 "Average Difference" N 110 4.275 -0.044 4.294 19459 44 1 8 "Average Difference" HA 128 0.478 -0.084 0.472 19459 45 1 8 "Average Difference" C 115 2.721 0.788 2.615 19459 46 1 8 "Average Difference" CA 118 1.998 0.459 1.953 19459 47 1 8 "Average Difference" CB 109 4.084 -1.426 3.845 19459 48 1 8 "Average Difference" HN 110 0.713 -0.209 0.685 19459 49 1 9 "Average Difference" N 110 4.141 0.086 4.159 19459 50 1 9 "Average Difference" HA 128 0.447 -0.096 0.439 19459 51 1 9 "Average Difference" C 115 2.769 0.779 2.669 19459 52 1 9 "Average Difference" CA 118 1.968 0.530 1.903 19459 53 1 9 "Average Difference" CB 109 4.085 -1.407 3.853 19459 54 1 9 "Average Difference" HN 110 0.677 -0.193 0.651 19459 55 1 10 "Average Difference" N 110 4.113 -0.401 4.112 19459 56 1 10 "Average Difference" HA 128 0.458 -0.062 0.456 19459 57 1 10 "Average Difference" C 115 2.765 0.729 2.679 19459 58 1 10 "Average Difference" CA 118 1.903 0.357 1.877 19459 59 1 10 "Average Difference" CB 109 3.980 -1.299 3.780 19459 60 1 10 "Average Difference" HN 110 0.677 -0.183 0.655 19459 61 1 11 "Average Difference" N 110 4.233 -0.080 4.251 19459 62 1 11 "Average Difference" HA 128 0.465 -0.087 0.458 19459 63 1 11 "Average Difference" C 115 2.711 0.779 2.608 19459 64 1 11 "Average Difference" CA 118 1.828 0.498 1.766 19459 65 1 11 "Average Difference" CB 109 4.073 -1.402 3.842 19459 66 1 11 "Average Difference" HN 110 0.702 -0.219 0.670 19459 67 1 12 "Average Difference" N 110 4.405 0.065 4.425 19459 68 1 12 "Average Difference" HA 128 0.482 -0.074 0.479 19459 69 1 12 "Average Difference" C 115 2.776 0.832 2.660 19459 70 1 12 "Average Difference" CA 118 1.960 0.434 1.919 19459 71 1 12 "Average Difference" CB 109 4.229 -1.426 4.000 19459 72 1 12 "Average Difference" HN 110 0.686 -0.173 0.667 19459 73 1 13 "Average Difference" N 110 4.063 -0.345 4.067 19459 74 1 13 "Average Difference" HA 128 0.472 -0.052 0.471 19459 75 1 13 "Average Difference" C 115 2.759 0.770 2.660 19459 76 1 13 "Average Difference" CA 118 1.905 0.441 1.861 19459 77 1 13 "Average Difference" CB 109 4.023 -1.332 3.813 19459 78 1 13 "Average Difference" HN 110 0.662 -0.174 0.642 19459 79 1 14 "Average Difference" N 110 4.212 0.036 4.231 19459 80 1 14 "Average Difference" HA 128 0.468 -0.045 0.467 19459 81 1 14 "Average Difference" C 115 2.854 0.839 2.740 19459 82 1 14 "Average Difference" CA 118 1.941 0.450 1.896 19459 83 1 14 "Average Difference" CB 109 4.025 -1.360 3.806 19459 84 1 14 "Average Difference" HN 110 0.687 -0.171 0.669 19459 85 1 15 "Average Difference" N 110 4.178 -0.454 4.172 19459 86 1 15 "Average Difference" HA 128 0.456 -0.024 0.457 19459 87 1 15 "Average Difference" C 115 2.774 0.695 2.698 19459 88 1 15 "Average Difference" CA 118 2.067 0.427 2.031 19459 89 1 15 "Average Difference" CB 109 3.881 -1.161 3.720 19459 90 1 15 "Average Difference" HN 110 0.656 -0.177 0.635 19459 91 1 16 "Average Difference" N 110 4.200 -0.149 4.217 19459 92 1 16 "Average Difference" HA 128 0.469 -0.069 0.466 19459 93 1 16 "Average Difference" C 115 2.767 0.898 2.628 19459 94 1 16 "Average Difference" CA 118 2.044 0.503 1.989 19459 95 1 16 "Average Difference" CB 109 4.207 -1.468 3.961 19459 96 1 16 "Average Difference" HN 110 0.710 -0.193 0.686 19459 97 1 17 "Average Difference" N 110 4.118 -0.306 4.126 19459 98 1 17 "Average Difference" HA 128 0.450 -0.090 0.442 19459 99 1 17 "Average Difference" C 115 2.810 0.855 2.688 19459 100 1 17 "Average Difference" CA 118 2.055 0.588 1.977 19459 101 1 17 "Average Difference" CB 109 3.973 -1.405 3.734 19459 102 1 17 "Average Difference" HN 110 0.748 -0.242 0.711 19459 103 1 18 "Average Difference" N 110 3.942 -0.066 3.959 19459 104 1 18 "Average Difference" HA 128 0.436 -0.042 0.435 19459 105 1 18 "Average Difference" C 115 2.801 0.679 2.729 19459 106 1 18 "Average Difference" CA 118 1.890 0.374 1.861 19459 107 1 18 "Average Difference" CB 109 4.022 -1.318 3.817 19459 108 1 18 "Average Difference" HN 110 0.651 -0.190 0.626 19459 109 1 19 "Average Difference" N 110 4.140 -0.237 4.152 19459 110 1 19 "Average Difference" HA 128 0.469 -0.082 0.464 19459 111 1 19 "Average Difference" C 115 2.680 0.692 2.601 19459 112 1 19 "Average Difference" CA 118 2.140 0.537 2.080 19459 113 1 19 "Average Difference" CB 109 4.064 -1.391 3.836 19459 114 1 19 "Average Difference" HN 110 0.706 -0.218 0.674 19459 115 1 20 "Average Difference" N 110 3.798 -0.264 3.806 19459 116 1 20 "Average Difference" HA 128 0.470 -0.043 0.470 19459 117 1 20 "Average Difference" C 115 2.811 0.768 2.716 19459 118 1 20 "Average Difference" CA 118 1.920 0.446 1.875 19459 119 1 20 "Average Difference" CB 109 4.014 -1.254 3.830 19459 120 1 20 "Average Difference" HN 110 0.662 -0.171 0.642 19459 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 19459 _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 CYS N N 2 117.967 117.967 118.579 -0.612 19459 2 1 . 1 1 2 2 CYS HA H 2 4.527 4.527 4.630 -0.104 19459 3 1 . 1 1 2 2 CYS C C 2 174.023 174.023 175.292 -1.269 19459 4 1 . 1 1 2 2 CYS CA C 2 58.972 58.972 59.344 -0.372 19459 5 1 . 1 1 2 2 CYS CB C 2 45.059 45.059 27.384 17.675 19459 6 1 . 1 1 2 2 CYS H H 2 9.327 9.327 8.294 1.033 19459 7 1 . 1 1 3 3 ASN N N 3 119.722 119.722 115.899 3.823 19459 8 1 . 1 1 3 3 ASN HA H 3 5.249 5.249 4.510 0.739 19459 9 1 . 1 1 3 3 ASN C C 3 175.027 175.027 174.388 0.639 19459 10 1 . 1 1 3 3 ASN CA C 3 52.513 52.513 53.622 -1.109 19459 11 1 . 1 1 3 3 ASN CB C 3 39.643 39.643 37.358 2.285 19459 12 1 . 1 1 3 3 ASN H H 3 8.686 8.686 8.431 0.255 19459 13 1 . 1 1 4 4 ALA N N 4 122.403 122.403 118.621 3.782 19459 14 1 . 1 1 4 4 ALA HA H 4 4.429 4.429 4.643 -0.214 19459 15 1 . 1 1 4 4 ALA C C 4 173.517 173.517 176.109 -2.592 19459 16 1 . 1 1 4 4 ALA CA C 4 51.813 51.813 52.470 -0.658 19459 17 1 . 1 1 4 4 ALA CB C 4 16.987 16.987 18.517 -1.529 19459 18 1 . 1 1 4 4 ALA H H 4 8.401 8.401 8.142 0.259 19459 19 1 . 1 1 5 5 PRO HA H 5 3.908 3.908 4.439 -0.531 19459 20 1 . 1 1 5 5 PRO C C 5 172.806 172.806 176.806 -4.000 19459 21 1 . 1 1 5 5 PRO CA C 5 62.451 62.451 63.957 -1.506 19459 22 1 . 1 1 5 5 PRO CB C 5 31.552 31.552 32.113 -0.561 19459 23 1 . 1 1 6 6 GLU N N 6 121.296 121.296 114.925 6.371 19459 24 1 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.412 -0.221 19459 25 1 . 1 1 6 6 GLU C C 6 172.835 172.835 174.374 -1.539 19459 26 1 . 1 1 6 6 GLU CA C 6 56.175 56.175 55.862 0.313 19459 27 1 . 1 1 6 6 GLU CB C 6 29.964 29.964 29.681 0.283 19459 28 1 . 1 1 6 6 GLU H H 6 8.443 8.443 8.075 0.368 19459 29 1 . 1 1 7 7 TRP N N 7 124.746 124.746 123.200 1.546 19459 30 1 . 1 1 7 7 TRP HA H 7 3.932 3.932 4.826 -0.894 19459 31 1 . 1 1 7 7 TRP C C 7 174.236 174.236 174.794 -0.558 19459 32 1 . 1 1 7 7 TRP CA C 7 59.912 59.912 56.995 2.917 19459 33 1 . 1 1 7 7 TRP CB C 7 29.033 29.033 29.981 -0.948 19459 34 1 . 1 1 7 7 TRP H H 7 8.674 8.674 8.461 0.213 19459 35 1 . 1 1 8 8 LEU N N 8 125.782 125.782 131.061 -5.279 19459 36 1 . 1 1 8 8 LEU HA H 8 4.556 4.556 4.292 0.264 19459 37 1 . 1 1 8 8 LEU CA C 8 49.965 49.965 50.080 -0.115 19459 38 1 . 1 1 8 8 LEU CB C 8 42.893 42.893 43.492 -0.599 19459 39 1 . 1 1 8 8 LEU H H 8 7.922 7.922 7.970 -0.048 19459 40 1 . 1 1 9 9 PRO HA H 9 3.598 3.598 3.398 0.200 19459 41 1 . 1 1 9 9 PRO C C 9 172.961 172.961 176.989 -4.028 19459 42 1 . 1 1 9 9 PRO CA C 9 63.540 63.540 64.152 -0.612 19459 43 1 . 1 1 9 9 PRO CB C 9 31.437 31.437 31.385 0.052 19459 44 1 . 1 1 10 10 PHE N N 10 106.863 106.863 114.820 -7.957 19459 45 1 . 1 1 10 10 PHE HA H 10 3.609 3.609 4.256 -0.647 19459 46 1 . 1 1 10 10 PHE C C 10 175.535 175.535 175.017 0.518 19459 47 1 . 1 1 10 10 PHE CA C 10 53.857 53.857 56.805 -2.948 19459 48 1 . 1 1 10 10 PHE CB C 10 40.775 40.775 37.797 2.979 19459 49 1 . 1 1 10 10 PHE H H 10 5.588 5.588 7.143 -1.555 19459 50 1 . 1 1 11 11 ALA N N 11 121.214 121.214 119.843 1.371 19459 51 1 . 1 1 11 11 ALA HA H 11 5.143 5.143 5.216 -0.073 19459 52 1 . 1 1 11 11 ALA C C 11 175.918 175.918 175.921 -0.003 19459 53 1 . 1 1 11 11 ALA CA C 11 51.868 51.868 50.716 1.153 19459 54 1 . 1 1 11 11 ALA CB C 11 24.730 24.730 21.764 2.966 19459 55 1 . 1 1 11 11 ALA H H 11 6.349 6.349 7.146 -0.797 19459 56 1 . 1 1 12 12 ARG N N 12 117.160 117.160 120.793 -3.633 19459 57 1 . 1 1 12 12 ARG HA H 12 4.697 4.697 4.754 -0.057 19459 58 1 . 1 1 12 12 ARG C C 12 178.499 178.499 173.540 4.959 19459 59 1 . 1 1 12 12 ARG CB C 12 30.865 30.865 29.991 0.874 19459 60 1 . 1 1 12 12 ARG H H 12 9.219 9.219 8.118 1.101 19459 61 1 . 1 1 13 13 PRO HA H 13 3.669 3.669 4.624 -0.955 19459 62 1 . 1 1 13 13 PRO C C 13 171.555 171.555 177.235 -5.680 19459 63 1 . 1 1 13 13 PRO CA C 13 61.381 61.381 62.284 -0.903 19459 64 1 . 1 1 13 13 PRO CB C 13 31.548 31.548 32.323 -0.775 19459 65 1 . 1 1 14 14 THR N N 14 112.823 112.823 113.196 -0.373 19459 66 1 . 1 1 14 14 THR HA H 14 3.905 3.905 4.259 -0.354 19459 67 1 . 1 1 14 14 THR C C 14 174.364 174.364 175.354 -0.990 19459 68 1 . 1 1 14 14 THR CA C 14 63.180 63.180 63.300 -0.120 19459 69 1 . 1 1 14 14 THR CB C 14 68.154 68.154 69.061 -0.907 19459 70 1 . 1 1 14 14 THR H H 14 8.062 8.062 8.256 -0.194 19459 71 1 . 1 1 15 15 GLN N N 15 119.736 119.736 118.351 1.385 19459 72 1 . 1 1 15 15 GLN HA H 15 4.501 4.501 4.434 0.067 19459 73 1 . 1 1 15 15 GLN C C 15 174.815 174.815 176.582 -1.767 19459 74 1 . 1 1 15 15 GLN CA C 15 54.367 54.367 57.163 -2.796 19459 75 1 . 1 1 15 15 GLN CB C 15 31.116 31.116 28.926 2.190 19459 76 1 . 1 1 15 15 GLN H H 15 7.758 7.758 8.018 -0.260 19459 77 1 . 1 1 16 16 LEU N N 16 124.583 124.583 120.311 4.272 19459 78 1 . 1 1 16 16 LEU HA H 16 4.361 4.361 4.237 0.124 19459 79 1 . 1 1 16 16 LEU C C 16 172.167 172.167 177.765 -5.598 19459 80 1 . 1 1 16 16 LEU CA C 16 55.297 55.297 56.989 -1.692 19459 81 1 . 1 1 16 16 LEU CB C 16 42.034 42.034 41.695 0.339 19459 82 1 . 1 1 16 16 LEU H H 16 8.458 8.458 7.974 0.484 19459 83 1 . 1 1 17 17 THR N N 17 116.730 116.730 112.138 4.592 19459 84 1 . 1 1 17 17 THR HA H 17 4.633 4.633 3.813 0.820 19459 85 1 . 1 1 17 17 THR C C 17 175.703 175.703 175.312 0.391 19459 86 1 . 1 1 17 17 THR CA C 17 60.358 60.358 65.055 -4.697 19459 87 1 . 1 1 17 17 THR CB C 17 70.110 70.110 68.634 1.476 19459 88 1 . 1 1 17 17 THR H H 17 8.325 8.325 7.929 0.396 19459 89 1 . 1 1 18 18 ASP N N 18 122.839 122.839 117.850 4.990 19459 90 1 . 1 1 18 18 ASP HA H 18 4.742 4.742 4.773 -0.031 19459 91 1 . 1 1 18 18 ASP C C 18 173.642 173.642 175.598 -1.956 19459 92 1 . 1 1 18 18 ASP CA C 18 53.213 53.213 54.419 -1.206 19459 93 1 . 1 1 18 18 ASP CB C 18 39.922 39.922 41.999 -2.077 19459 94 1 . 1 1 18 18 ASP H H 18 8.487 8.487 7.727 0.760 19459 95 1 . 1 1 19 19 GLU N N 19 120.523 120.523 118.775 1.748 19459 96 1 . 1 1 19 19 GLU HA H 19 4.073 4.073 4.421 -0.348 19459 97 1 . 1 1 19 19 GLU C C 19 174.249 174.249 176.570 -2.321 19459 98 1 . 1 1 19 19 GLU CA C 19 56.150 56.150 55.696 0.454 19459 99 1 . 1 1 19 19 GLU CB C 19 29.343 29.343 29.984 -0.641 19459 100 1 . 1 1 19 19 GLU H H 19 7.931 7.931 7.378 0.553 19459 101 1 . 1 1 20 20 PHE N N 20 118.500 118.500 118.349 0.151 19459 102 1 . 1 1 20 20 PHE HA H 20 4.746 4.746 4.335 0.411 19459 103 1 . 1 1 20 20 PHE C C 20 174.885 174.885 175.545 -0.660 19459 104 1 . 1 1 20 20 PHE CA C 20 57.514 57.514 61.364 -3.850 19459 105 1 . 1 1 20 20 PHE CB C 20 40.483 40.483 39.078 1.405 19459 106 1 . 1 1 20 20 PHE H H 20 8.279 8.279 8.186 0.093 19459 107 1 . 1 1 21 21 GLU N N 21 117.080 117.080 118.768 -1.688 19459 108 1 . 1 1 21 21 GLU HA H 21 5.010 5.010 4.676 0.334 19459 109 1 . 1 1 21 21 GLU C C 21 174.900 174.900 175.122 -0.222 19459 110 1 . 1 1 21 21 GLU CA C 21 54.273 54.273 55.682 -1.408 19459 111 1 . 1 1 21 21 GLU CB C 21 31.373 31.373 31.491 -0.118 19459 112 1 . 1 1 21 21 GLU H H 21 7.022 7.022 7.871 -0.849 19459 113 1 . 1 1 22 22 PHE N N 22 119.655 119.655 121.487 -1.832 19459 114 1 . 1 1 22 22 PHE HA H 22 4.969 4.969 4.921 0.048 19459 115 1 . 1 1 22 22 PHE C C 22 176.708 176.708 173.314 3.394 19459 116 1 . 1 1 22 22 PHE CA C 22 54.776 54.776 55.221 -0.445 19459 117 1 . 1 1 22 22 PHE CB C 22 41.746 41.746 42.180 -0.435 19459 118 1 . 1 1 22 22 PHE H H 22 8.974 8.974 8.358 0.616 19459 119 1 . 1 1 23 23 PRO HA H 23 4.588 4.588 4.615 -0.028 19459 120 1 . 1 1 23 23 PRO C C 23 171.163 171.163 176.415 -5.252 19459 121 1 . 1 1 23 23 PRO CA C 23 62.417 62.417 62.621 -0.204 19459 122 1 . 1 1 23 23 PRO CB C 23 32.655 32.655 32.432 0.223 19459 123 1 . 1 1 24 24 ILE N N 24 123.238 123.238 119.683 3.555 19459 124 1 . 1 1 24 24 ILE HA H 24 3.410 3.410 3.795 -0.385 19459 125 1 . 1 1 24 24 ILE C C 24 172.283 172.283 177.305 -5.022 19459 126 1 . 1 1 24 24 ILE CA C 24 64.046 64.046 62.573 1.473 19459 127 1 . 1 1 24 24 ILE CB C 24 37.449 37.449 37.824 -0.375 19459 128 1 . 1 1 24 24 ILE H H 24 8.199 8.199 8.336 -0.137 19459 129 1 . 1 1 25 25 GLY N N 25 115.962 115.962 114.437 1.525 19459 130 1 . 1 1 25 25 GLY C C 25 174.927 174.927 174.070 0.857 19459 131 1 . 1 1 25 25 GLY CA C 25 44.423 44.423 44.988 -0.565 19459 132 1 . 1 1 25 25 GLY H H 25 9.061 9.061 8.554 0.507 19459 133 1 . 1 1 26 26 THR N N 26 117.152 117.152 117.144 0.008 19459 134 1 . 1 1 26 26 THR HA H 26 4.081 4.081 4.649 -0.568 19459 135 1 . 1 1 26 26 THR C C 26 176.723 176.723 173.352 3.371 19459 136 1 . 1 1 26 26 THR CA C 26 65.711 65.711 61.754 3.957 19459 137 1 . 1 1 26 26 THR CB C 26 70.084 70.084 70.599 -0.515 19459 138 1 . 1 1 26 26 THR H H 26 7.704 7.704 7.446 0.258 19459 139 1 . 1 1 27 27 TYR N N 27 125.094 125.094 125.529 -0.435 19459 140 1 . 1 1 27 27 TYR HA H 27 5.792 5.792 4.877 0.915 19459 141 1 . 1 1 27 27 TYR C C 27 173.835 173.835 175.653 -1.818 19459 142 1 . 1 1 27 27 TYR CA C 27 55.863 55.863 57.909 -2.046 19459 143 1 . 1 1 27 27 TYR CB C 27 40.876 40.876 39.653 1.223 19459 144 1 . 1 1 27 27 TYR H H 27 8.542 8.542 8.780 -0.238 19459 145 1 . 1 1 28 28 LEU N N 28 120.714 120.714 124.028 -3.314 19459 146 1 . 1 1 28 28 LEU HA H 28 4.784 4.784 4.622 0.162 19459 147 1 . 1 1 28 28 LEU C C 28 172.808 172.808 176.145 -3.337 19459 148 1 . 1 1 28 28 LEU CA C 28 53.183 53.183 53.295 -0.112 19459 149 1 . 1 1 28 28 LEU CB C 28 45.938 45.938 44.422 1.516 19459 150 1 . 1 1 28 28 LEU H H 28 9.000 9.000 8.284 0.716 19459 151 1 . 1 1 29 29 ASN N N 29 121.617 121.617 121.051 0.566 19459 152 1 . 1 1 29 29 ASN HA H 29 4.900 4.900 4.765 0.135 19459 153 1 . 1 1 29 29 ASN C C 29 174.783 174.783 174.018 0.765 19459 154 1 . 1 1 29 29 ASN CA C 29 54.232 54.232 52.626 1.606 19459 155 1 . 1 1 29 29 ASN CB C 29 39.191 39.191 38.578 0.613 19459 156 1 . 1 1 29 29 ASN H H 29 8.544 8.544 8.817 -0.273 19459 157 1 . 1 1 30 30 TYR N N 30 126.738 126.738 124.055 2.683 19459 158 1 . 1 1 30 30 TYR HA H 30 4.686 4.686 4.612 0.074 19459 159 1 . 1 1 30 30 TYR C C 30 174.911 174.911 174.885 0.026 19459 160 1 . 1 1 30 30 TYR CA C 30 56.901 56.901 57.093 -0.192 19459 161 1 . 1 1 30 30 TYR CB C 30 44.842 44.842 40.660 4.182 19459 162 1 . 1 1 30 30 TYR H H 30 9.324 9.324 7.992 1.332 19459 163 1 . 1 1 31 31 GLU N N 31 114.116 114.116 122.123 -8.007 19459 164 1 . 1 1 31 31 GLU HA H 31 4.710 4.710 4.611 0.099 19459 165 1 . 1 1 31 31 GLU C C 31 173.694 173.694 174.656 -0.962 19459 166 1 . 1 1 31 31 GLU CA C 31 53.119 53.119 54.651 -1.532 19459 167 1 . 1 1 31 31 GLU CB C 31 32.626 32.626 33.036 -0.410 19459 168 1 . 1 1 31 31 GLU H H 31 8.553 8.553 8.415 0.138 19459 169 1 . 1 1 32 32 CYS N N 32 121.086 121.086 122.173 -1.087 19459 170 1 . 1 1 32 32 CYS HA H 32 5.051 5.051 4.978 0.073 19459 171 1 . 1 1 32 32 CYS C C 32 173.553 173.553 175.619 -2.066 19459 172 1 . 1 1 32 32 CYS CA C 32 54.480 54.480 58.476 -3.995 19459 173 1 . 1 1 32 32 CYS CB C 32 37.487 37.487 28.043 9.444 19459 174 1 . 1 1 32 32 CYS H H 32 9.784 9.784 8.839 0.945 19459 175 1 . 1 1 33 33 ARG N N 33 123.418 123.418 123.675 -0.257 19459 176 1 . 1 1 33 33 ARG C C 33 176.822 176.822 174.790 2.032 19459 177 1 . 1 1 33 33 ARG CA C 33 56.311 56.311 55.109 1.202 19459 178 1 . 1 1 33 33 ARG CB C 33 29.343 29.343 29.693 -0.350 19459 179 1 . 1 1 33 33 ARG H H 33 7.898 7.898 8.395 -0.497 19459 180 1 . 1 1 34 34 PRO HA H 34 4.380 4.380 4.364 0.016 19459 181 1 . 1 1 34 34 PRO CA C 34 64.055 64.055 63.639 0.416 19459 182 1 . 1 1 34 34 PRO CB C 34 31.335 31.335 31.750 -0.415 19459 183 1 . 1 1 35 35 GLY N N 35 111.039 111.039 108.493 2.546 19459 184 1 . 1 1 35 35 GLY C C 35 177.546 177.546 173.639 3.907 19459 185 1 . 1 1 35 35 GLY CA C 35 43.899 43.899 44.870 -0.971 19459 186 1 . 1 1 35 35 GLY H H 35 8.378 8.378 8.531 -0.153 19459 187 1 . 1 1 36 36 TYR N N 36 116.682 116.682 118.691 -2.009 19459 188 1 . 1 1 36 36 TYR HA H 36 5.021 5.021 4.885 0.136 19459 189 1 . 1 1 36 36 TYR C C 36 174.005 174.005 175.903 -1.898 19459 190 1 . 1 1 36 36 TYR CA C 36 56.495 56.495 56.870 -0.375 19459 191 1 . 1 1 36 36 TYR CB C 36 40.981 40.981 39.469 1.512 19459 192 1 . 1 1 36 36 TYR H H 36 8.175 8.175 7.457 0.718 19459 193 1 . 1 1 37 37 SER N N 37 115.855 115.855 118.730 -2.875 19459 194 1 . 1 1 37 37 SER HA H 37 4.819 4.819 4.304 0.515 19459 195 1 . 1 1 37 37 SER C C 37 175.442 175.442 175.442 -0.000 19459 196 1 . 1 1 37 37 SER CA C 37 56.534 56.534 60.158 -3.624 19459 197 1 . 1 1 37 37 SER CB C 37 65.642 65.642 63.751 1.891 19459 198 1 . 1 1 37 37 SER H H 37 9.711 9.711 8.564 1.147 19459 199 1 . 1 1 38 38 GLY N N 38 113.435 113.435 109.011 4.424 19459 200 1 . 1 1 38 38 GLY C C 38 175.876 175.876 173.567 2.309 19459 201 1 . 1 1 38 38 GLY CA C 38 45.268 45.268 44.712 0.556 19459 202 1 . 1 1 38 38 GLY H H 38 8.288 8.288 8.005 0.283 19459 203 1 . 1 1 39 39 ARG N N 39 124.199 124.199 121.064 3.135 19459 204 1 . 1 1 39 39 ARG HA H 39 4.739 4.739 4.530 0.209 19459 205 1 . 1 1 39 39 ARG C C 39 175.413 175.413 174.280 1.133 19459 206 1 . 1 1 39 39 ARG CA C 39 54.740 54.740 53.108 1.632 19459 207 1 . 1 1 39 39 ARG CB C 39 29.634 29.634 30.508 -0.874 19459 208 1 . 1 1 39 39 ARG H H 39 8.350 8.350 8.322 0.028 19459 209 1 . 1 1 40 40 PRO HA H 40 4.658 4.658 4.426 0.232 19459 210 1 . 1 1 40 40 PRO C C 40 173.702 173.702 175.686 -1.984 19459 211 1 . 1 1 40 40 PRO CA C 40 64.470 64.470 63.123 1.347 19459 212 1 . 1 1 40 40 PRO CB C 40 32.188 32.188 31.997 0.191 19459 213 1 . 1 1 41 41 PHE N N 41 118.388 118.388 121.056 -2.668 19459 214 1 . 1 1 41 41 PHE HA H 41 5.163 5.163 4.698 0.465 19459 215 1 . 1 1 41 41 PHE C C 41 176.886 176.886 174.885 2.001 19459 216 1 . 1 1 41 41 PHE CA C 41 55.566 55.566 56.744 -1.178 19459 217 1 . 1 1 41 41 PHE CB C 41 41.264 41.264 41.850 -0.586 19459 218 1 . 1 1 41 41 PHE H H 41 8.017 8.017 8.057 -0.040 19459 219 1 . 1 1 42 42 SER N N 42 114.056 114.056 116.663 -2.607 19459 220 1 . 1 1 42 42 SER HA H 42 5.771 5.771 5.059 0.712 19459 221 1 . 1 1 42 42 SER C C 42 174.978 174.978 174.001 0.977 19459 222 1 . 1 1 42 42 SER CA C 42 56.668 56.668 57.916 -1.248 19459 223 1 . 1 1 42 42 SER CB C 42 66.152 66.152 64.515 1.637 19459 224 1 . 1 1 42 42 SER H H 42 8.540 8.540 8.207 0.333 19459 225 1 . 1 1 43 43 ILE N N 43 115.669 115.669 118.634 -2.965 19459 226 1 . 1 1 43 43 ILE HA H 43 5.065 5.065 4.467 0.598 19459 227 1 . 1 1 43 43 ILE C C 43 174.535 174.535 174.643 -0.108 19459 228 1 . 1 1 43 43 ILE CA C 43 60.044 60.044 60.241 -0.197 19459 229 1 . 1 1 43 43 ILE CB C 43 40.355 40.355 39.324 1.031 19459 230 1 . 1 1 43 43 ILE H H 43 8.637 8.637 7.824 0.813 19459 231 1 . 1 1 44 44 ILE N N 44 120.215 120.215 123.891 -3.676 19459 232 1 . 1 1 44 44 ILE HA H 44 5.286 5.286 4.966 0.320 19459 233 1 . 1 1 44 44 ILE C C 44 174.033 174.033 176.954 -2.921 19459 234 1 . 1 1 44 44 ILE CA C 44 59.656 59.656 59.205 0.451 19459 235 1 . 1 1 44 44 ILE CB C 44 42.330 42.330 40.294 2.036 19459 236 1 . 1 1 44 44 ILE H H 44 8.687 8.687 7.993 0.694 19459 237 1 . 1 1 45 45 CYS N N 45 126.257 126.257 126.998 -0.741 19459 238 1 . 1 1 45 45 CYS HA H 45 3.752 3.752 4.068 -0.315 19459 239 1 . 1 1 45 45 CYS C C 45 174.946 174.946 175.889 -0.943 19459 240 1 . 1 1 45 45 CYS CA C 45 55.066 55.066 59.828 -4.762 19459 241 1 . 1 1 45 45 CYS CB C 45 38.611 38.611 23.866 14.745 19459 242 1 . 1 1 45 45 CYS H H 45 7.993 7.993 8.830 -0.837 19459 243 1 . 1 1 46 46 LEU N N 46 132.514 132.514 123.437 9.077 19459 244 1 . 1 1 46 46 LEU HA H 46 4.416 4.416 4.159 0.257 19459 245 1 . 1 1 46 46 LEU C C 46 172.195 172.195 177.143 -4.948 19459 246 1 . 1 1 46 46 LEU CA C 46 54.344 54.344 56.560 -2.216 19459 247 1 . 1 1 46 46 LEU CB C 46 44.204 44.204 42.343 1.861 19459 248 1 . 1 1 46 46 LEU H H 46 8.826 8.826 8.126 0.700 19459 249 1 . 1 1 47 47 LYS N N 47 115.254 115.254 119.512 -4.258 19459 250 1 . 1 1 47 47 LYS HA H 47 3.988 3.988 4.270 -0.282 19459 251 1 . 1 1 47 47 LYS C C 47 173.781 173.781 176.199 -2.418 19459 252 1 . 1 1 47 47 LYS CA C 47 57.983 57.983 55.882 2.101 19459 253 1 . 1 1 47 47 LYS CB C 47 31.208 31.208 32.602 -1.394 19459 254 1 . 1 1 47 47 LYS H H 47 7.949 7.949 7.854 0.095 19459 255 1 . 1 1 48 48 ASN N N 48 115.283 115.283 123.920 -8.637 19459 256 1 . 1 1 48 48 ASN HA H 48 4.536 4.536 4.397 0.139 19459 257 1 . 1 1 48 48 ASN CA C 48 53.540 53.540 53.971 -0.431 19459 258 1 . 1 1 48 48 ASN CB C 48 36.372 36.372 37.291 -0.919 19459 259 1 . 1 1 48 48 ASN H H 48 8.432 8.432 9.231 -0.799 19459 260 1 . 1 1 49 49 SER N N 49 110.595 110.595 106.614 3.981 19459 261 1 . 1 1 49 49 SER HA H 49 3.969 3.969 3.957 0.012 19459 262 1 . 1 1 49 49 SER CA C 49 59.790 59.790 59.842 -0.052 19459 263 1 . 1 1 49 49 SER CB C 49 60.870 60.870 61.971 -1.101 19459 264 1 . 1 1 49 49 SER H H 49 8.457 8.457 8.211 0.246 19459 265 1 . 1 1 50 50 VAL N N 50 117.680 117.680 118.113 -0.433 19459 266 1 . 1 1 50 50 VAL HA H 50 4.333 4.333 3.937 0.396 19459 267 1 . 1 1 50 50 VAL C C 50 175.347 175.347 175.694 -0.347 19459 268 1 . 1 1 50 50 VAL CA C 50 59.884 59.884 63.873 -3.989 19459 269 1 . 1 1 50 50 VAL CB C 50 34.837 34.837 33.171 1.666 19459 270 1 . 1 1 50 50 VAL H H 50 6.840 6.840 7.721 -0.881 19459 271 1 . 1 1 51 51 TRP N N 51 123.510 123.510 115.852 7.658 19459 272 1 . 1 1 51 51 TRP HA H 51 5.322 5.322 4.977 0.345 19459 273 1 . 1 1 51 51 TRP C C 51 170.736 170.736 176.851 -6.115 19459 274 1 . 1 1 51 51 TRP CA C 51 55.937 55.937 56.861 -0.924 19459 275 1 . 1 1 51 51 TRP CB C 51 30.791 30.791 31.561 -0.770 19459 276 1 . 1 1 51 51 TRP H H 51 8.310 8.310 7.612 0.698 19459 277 1 . 1 1 52 52 THR N N 52 115.962 115.962 113.873 2.089 19459 278 1 . 1 1 52 52 THR HA H 52 4.656 4.656 4.193 0.463 19459 279 1 . 1 1 52 52 THR C C 52 175.780 175.780 175.414 0.366 19459 280 1 . 1 1 52 52 THR CA C 52 61.376 61.376 63.958 -2.582 19459 281 1 . 1 1 52 52 THR CB C 52 70.723 70.723 69.181 1.542 19459 282 1 . 1 1 52 52 THR H H 52 9.026 9.026 8.577 0.449 19459 283 1 . 1 1 53 53 GLY N N 53 108.521 108.521 108.134 0.387 19459 284 1 . 1 1 53 53 GLY C C 53 174.881 174.881 173.525 1.356 19459 285 1 . 1 1 53 53 GLY CA C 53 45.344 45.344 44.754 0.590 19459 286 1 . 1 1 53 53 GLY H H 53 8.292 8.292 7.815 0.477 19459 287 1 . 1 1 54 54 ALA N N 54 121.857 121.857 123.637 -1.780 19459 288 1 . 1 1 54 54 ALA HA H 54 4.153 4.153 4.064 0.089 19459 289 1 . 1 1 54 54 ALA C C 54 172.786 172.786 176.791 -4.005 19459 290 1 . 1 1 54 54 ALA CA C 54 51.697 51.697 52.379 -0.682 19459 291 1 . 1 1 54 54 ALA CB C 54 19.714 19.714 18.119 1.595 19459 292 1 . 1 1 54 54 ALA H H 54 8.443 8.443 8.245 0.198 19459 293 1 . 1 1 55 55 LYS N N 55 118.318 118.318 119.248 -0.930 19459 294 1 . 1 1 55 55 LYS HA H 55 3.744 3.744 4.305 -0.561 19459 295 1 . 1 1 55 55 LYS C C 55 172.519 172.519 176.219 -3.700 19459 296 1 . 1 1 55 55 LYS CA C 55 57.944 57.944 56.130 1.814 19459 297 1 . 1 1 55 55 LYS CB C 55 32.632 32.632 33.398 -0.766 19459 298 1 . 1 1 55 55 LYS H H 55 7.612 7.612 7.657 -0.045 19459 299 1 . 1 1 56 56 ASP N N 56 119.214 119.214 119.615 -0.401 19459 300 1 . 1 1 56 56 ASP HA H 56 4.117 4.117 4.403 -0.286 19459 301 1 . 1 1 56 56 ASP C C 56 173.700 173.700 176.611 -2.911 19459 302 1 . 1 1 56 56 ASP CA C 56 55.384 55.384 55.591 -0.207 19459 303 1 . 1 1 56 56 ASP CB C 56 39.170 39.170 39.747 -0.577 19459 304 1 . 1 1 56 56 ASP H H 56 8.555 8.555 8.895 -0.340 19459 305 1 . 1 1 57 57 ARG N N 57 116.006 116.006 117.373 -1.367 19459 306 1 . 1 1 57 57 ARG HA H 57 3.880 3.880 4.113 -0.233 19459 307 1 . 1 1 57 57 ARG C C 57 171.638 171.638 175.905 -4.267 19459 308 1 . 1 1 57 57 ARG CA C 57 55.927 55.927 57.919 -1.992 19459 309 1 . 1 1 57 57 ARG CB C 57 32.157 32.157 30.550 1.607 19459 310 1 . 1 1 57 57 ARG H H 57 7.352 7.352 8.366 -1.014 19459 311 1 . 1 1 58 58 CYS N N 58 115.000 115.000 115.226 -0.227 19459 312 1 . 1 1 58 58 CYS HA H 58 5.574 5.574 4.764 0.810 19459 313 1 . 1 1 58 58 CYS C C 58 175.576 175.576 173.539 2.037 19459 314 1 . 1 1 58 58 CYS CA C 58 52.852 52.852 57.576 -4.724 19459 315 1 . 1 1 58 58 CYS CB C 58 43.576 43.576 28.930 14.646 19459 316 1 . 1 1 58 58 CYS H H 58 7.587 7.587 7.818 -0.231 19459 317 1 . 1 1 59 59 ARG N N 59 123.440 123.440 121.253 2.187 19459 318 1 . 1 1 59 59 ARG HA H 59 4.760 4.760 4.574 0.186 19459 319 1 . 1 1 59 59 ARG C C 59 173.566 173.566 174.964 -1.398 19459 320 1 . 1 1 59 59 ARG CA C 59 54.239 54.239 54.743 -0.504 19459 321 1 . 1 1 59 59 ARG CB C 59 32.802 32.802 33.698 -0.896 19459 322 1 . 1 1 59 59 ARG H H 59 8.984 8.984 8.658 0.326 19459 323 1 . 1 1 60 60 ARG N N 60 125.644 125.644 122.853 2.791 19459 324 1 . 1 1 60 60 ARG HA H 60 3.651 3.651 4.400 -0.749 19459 325 1 . 1 1 60 60 ARG C C 60 172.119 172.119 175.227 -3.108 19459 326 1 . 1 1 60 60 ARG CA C 60 58.298 58.298 55.070 3.228 19459 327 1 . 1 1 60 60 ARG CB C 60 31.268 31.268 31.740 -0.472 19459 328 1 . 1 1 60 60 ARG H H 60 9.163 9.163 8.484 0.679 19459 329 1 . 1 1 61 61 LYS N N 61 124.217 124.217 121.852 2.365 19459 330 1 . 1 1 61 61 LYS HA H 61 4.117 4.117 4.409 -0.292 19459 331 1 . 1 1 61 61 LYS C C 61 173.791 173.791 175.925 -2.134 19459 332 1 . 1 1 61 61 LYS CA C 61 57.198 57.198 54.882 2.316 19459 333 1 . 1 1 61 61 LYS CB C 61 35.214 35.214 34.139 1.075 19459 334 1 . 1 1 61 61 LYS H H 61 8.601 8.601 8.224 0.377 19459 335 1 . 1 1 62 62 SER N N 62 114.120 114.120 116.363 -2.243 19459 336 1 . 1 1 62 62 SER HA H 62 4.765 4.765 4.445 0.320 19459 337 1 . 1 1 62 62 SER C C 62 175.019 175.019 174.538 0.481 19459 338 1 . 1 1 62 62 SER CA C 62 58.227 58.227 58.665 -0.438 19459 339 1 . 1 1 62 62 SER CB C 62 65.387 65.387 63.981 1.406 19459 340 1 . 1 1 62 62 SER H H 62 8.494 8.494 8.409 0.085 19459 341 1 . 1 1 63 63 CYS N N 63 122.858 122.858 122.894 -0.036 19459 342 1 . 1 1 63 63 CYS HA H 63 4.068 4.068 4.515 -0.447 19459 343 1 . 1 1 63 63 CYS C C 63 176.076 176.076 174.344 1.732 19459 344 1 . 1 1 63 63 CYS CA C 63 61.267 61.267 58.508 2.759 19459 345 1 . 1 1 63 63 CYS CB C 63 40.768 40.768 28.855 11.913 19459 346 1 . 1 1 63 63 CYS H H 63 8.359 8.359 8.414 -0.055 19459 347 1 . 1 1 64 64 ARG N N 64 118.145 118.145 121.189 -3.044 19459 348 1 . 1 1 64 64 ARG HA H 64 4.166 4.166 4.715 -0.549 19459 349 1 . 1 1 64 64 ARG C C 64 173.077 173.077 174.370 -1.293 19459 350 1 . 1 1 64 64 ARG CA C 64 55.980 55.980 55.091 0.888 19459 351 1 . 1 1 64 64 ARG CB C 64 30.459 30.459 32.469 -2.010 19459 352 1 . 1 1 64 64 ARG H H 64 8.496 8.496 8.667 -0.171 19459 353 1 . 1 1 65 65 ASN N N 65 122.302 122.302 119.722 2.580 19459 354 1 . 1 1 65 65 ASN HA H 65 4.734 4.734 5.179 -0.445 19459 355 1 . 1 1 65 65 ASN C C 65 175.117 175.117 174.256 0.861 19459 356 1 . 1 1 65 65 ASN CA C 65 52.112 52.112 51.401 0.711 19459 357 1 . 1 1 65 65 ASN CB C 65 38.367 38.367 39.292 -0.925 19459 358 1 . 1 1 65 65 ASN H H 65 8.691 8.691 8.966 -0.275 19459 359 1 . 1 1 67 67 PRO HA H 67 4.483 4.483 4.324 0.159 19459 360 1 . 1 1 67 67 PRO C C 67 172.228 172.228 176.663 -4.435 19459 361 1 . 1 1 67 67 PRO CA C 67 61.666 61.666 63.377 -1.711 19459 362 1 . 1 1 67 67 PRO CB C 67 32.487 32.487 31.851 0.636 19459 363 1 . 1 1 68 68 ASP N N 68 118.184 118.184 119.205 -1.021 19459 364 1 . 1 1 68 68 ASP HA H 68 4.642 4.642 4.397 0.245 19459 365 1 . 1 1 68 68 ASP C C 68 173.951 173.951 174.302 -0.351 19459 366 1 . 1 1 68 68 ASP CA C 68 53.179 53.179 54.546 -1.367 19459 367 1 . 1 1 68 68 ASP CB C 68 40.499 40.499 40.214 0.285 19459 368 1 . 1 1 68 68 ASP H H 68 8.201 8.201 7.959 0.243 19459 369 1 . 1 1 69 69 PRO HA H 69 4.236 4.236 4.501 -0.265 19459 370 1 . 1 1 69 69 PRO C C 69 172.350 172.350 177.529 -5.179 19459 371 1 . 1 1 69 69 PRO CA C 69 61.911 61.911 62.451 -0.540 19459 372 1 . 1 1 69 69 PRO CB C 69 31.235 31.235 32.748 -1.513 19459 373 1 . 1 1 70 70 VAL N N 70 125.745 125.745 121.029 4.716 19459 374 1 . 1 1 70 70 VAL HA H 70 3.659 3.659 3.702 -0.043 19459 375 1 . 1 1 70 70 VAL C C 70 171.231 171.231 177.242 -6.011 19459 376 1 . 1 1 70 70 VAL CA C 70 64.664 64.664 65.072 -0.408 19459 377 1 . 1 1 70 70 VAL CB C 70 30.851 30.851 31.708 -0.857 19459 378 1 . 1 1 70 70 VAL H H 70 8.251 8.251 8.608 -0.357 19459 379 1 . 1 1 71 71 ASN N N 71 119.702 119.702 117.914 1.788 19459 380 1 . 1 1 71 71 ASN HA H 71 4.001 4.001 4.609 -0.608 19459 381 1 . 1 1 71 71 ASN C C 71 176.167 176.167 175.848 0.319 19459 382 1 . 1 1 71 71 ASN CA C 71 55.520 55.520 53.670 1.850 19459 383 1 . 1 1 71 71 ASN CB C 71 36.242 36.242 38.605 -2.363 19459 384 1 . 1 1 71 71 ASN H H 71 8.994 8.994 8.209 0.785 19459 385 1 . 1 1 72 72 GLY N N 72 104.254 104.254 106.778 -2.524 19459 386 1 . 1 1 72 72 GLY C C 72 177.732 177.732 173.997 3.735 19459 387 1 . 1 1 72 72 GLY CA C 72 47.098 47.098 45.190 1.908 19459 388 1 . 1 1 72 72 GLY H H 72 7.637 7.637 8.099 -0.462 19459 389 1 . 1 1 73 73 MET N N 73 116.529 116.529 119.838 -3.309 19459 390 1 . 1 1 73 73 MET HA H 73 4.887 4.887 4.563 0.324 19459 391 1 . 1 1 73 73 MET C C 73 175.128 175.128 174.655 0.473 19459 392 1 . 1 1 73 73 MET CA C 73 54.890 54.890 55.063 -0.173 19459 393 1 . 1 1 73 73 MET CB C 73 36.837 36.837 32.943 3.894 19459 394 1 . 1 1 73 73 MET H H 73 8.819 8.819 7.918 0.901 19459 395 1 . 1 1 74 74 VAL N N 74 122.511 122.511 122.147 0.364 19459 396 1 . 1 1 74 74 VAL HA H 74 4.603 4.603 4.692 -0.089 19459 397 1 . 1 1 74 74 VAL C C 74 176.573 176.573 174.996 1.577 19459 398 1 . 1 1 74 74 VAL CA C 74 59.009 59.009 60.023 -1.014 19459 399 1 . 1 1 74 74 VAL CB C 74 34.502 34.502 33.619 0.883 19459 400 1 . 1 1 74 74 VAL H H 74 8.796 8.796 7.864 0.932 19459 401 1 . 1 1 75 75 HIS N N 75 125.200 125.200 126.975 -1.775 19459 402 1 . 1 1 75 75 HIS HA H 75 4.714 4.714 4.781 -0.067 19459 403 1 . 1 1 75 75 HIS C C 75 175.500 175.500 173.754 1.746 19459 404 1 . 1 1 75 75 HIS CA C 75 53.685 53.685 54.768 -1.083 19459 405 1 . 1 1 75 75 HIS CB C 75 29.008 29.008 32.580 -3.572 19459 406 1 . 1 1 75 75 HIS H H 75 8.977 8.977 8.216 0.761 19459 407 1 . 1 1 76 76 VAL N N 76 127.456 127.456 123.344 4.112 19459 408 1 . 1 1 76 76 VAL HA H 76 4.172 4.172 4.215 -0.043 19459 409 1 . 1 1 76 76 VAL C C 76 173.257 173.257 175.118 -1.861 19459 410 1 . 1 1 76 76 VAL CA C 76 62.198 62.198 61.104 1.094 19459 411 1 . 1 1 76 76 VAL CB C 76 31.340 31.340 32.752 -1.412 19459 412 1 . 1 1 76 76 VAL H H 76 8.926 8.926 8.542 0.384 19459 413 1 . 1 1 77 77 ILE N N 77 126.756 126.756 128.803 -2.047 19459 414 1 . 1 1 77 77 ILE HA H 77 4.151 4.151 3.951 0.200 19459 415 1 . 1 1 77 77 ILE C C 77 172.744 172.744 177.210 -4.466 19459 416 1 . 1 1 77 77 ILE CA C 77 62.934 62.934 63.823 -0.889 19459 417 1 . 1 1 77 77 ILE CB C 77 39.172 39.172 38.347 0.825 19459 418 1 . 1 1 77 77 ILE H H 77 7.978 7.978 8.440 -0.462 19459 419 1 . 1 1 78 78 LYS N N 78 123.427 123.427 118.641 4.786 19459 420 1 . 1 1 78 78 LYS HA H 78 4.577 4.577 4.396 0.181 19459 421 1 . 1 1 78 78 LYS C C 78 172.800 172.800 177.063 -4.263 19459 422 1 . 1 1 78 78 LYS CA C 78 55.383 55.383 55.807 -0.424 19459 423 1 . 1 1 78 78 LYS CB C 78 32.852 32.852 32.954 -0.102 19459 424 1 . 1 1 78 78 LYS H H 78 9.415 9.415 8.170 1.245 19459 425 1 . 1 1 79 79 GLY N N 79 108.777 108.777 107.207 1.570 19459 426 1 . 1 1 79 79 GLY C C 79 176.221 176.221 174.163 2.058 19459 427 1 . 1 1 79 79 GLY CA C 79 44.882 44.882 45.023 -0.141 19459 428 1 . 1 1 79 79 GLY H H 79 7.857 7.857 8.261 -0.404 19459 429 1 . 1 1 80 80 ILE N N 80 109.131 109.131 117.473 -8.342 19459 430 1 . 1 1 80 80 ILE HA H 80 4.958 4.958 4.076 0.882 19459 431 1 . 1 1 80 80 ILE C C 80 174.883 174.883 174.582 0.301 19459 432 1 . 1 1 80 80 ILE CA C 80 60.657 60.657 61.519 -0.862 19459 433 1 . 1 1 80 80 ILE CB C 80 38.711 38.711 36.420 2.291 19459 434 1 . 1 1 80 80 ILE H H 80 8.076 8.076 8.134 -0.058 19459 435 1 . 1 1 81 81 GLN N N 81 116.732 116.732 121.205 -4.473 19459 436 1 . 1 1 81 81 GLN HA H 81 4.666 4.666 4.564 0.102 19459 437 1 . 1 1 81 81 GLN C C 81 172.989 172.989 174.060 -1.071 19459 438 1 . 1 1 81 81 GLN CA C 81 55.501 55.501 54.362 1.139 19459 439 1 . 1 1 81 81 GLN CB C 81 30.674 30.674 32.332 -1.658 19459 440 1 . 1 1 81 81 GLN H H 81 7.682 7.682 7.974 -0.291 19459 441 1 . 1 1 82 82 PHE N N 82 119.773 119.773 122.627 -2.854 19459 442 1 . 1 1 82 82 PHE HA H 82 3.880 3.880 4.059 -0.179 19459 443 1 . 1 1 82 82 PHE C C 82 173.680 173.680 176.376 -2.696 19459 444 1 . 1 1 82 82 PHE CA C 82 58.685 58.685 59.545 -0.860 19459 445 1 . 1 1 82 82 PHE CB C 82 40.119 40.119 39.163 0.956 19459 446 1 . 1 1 82 82 PHE H H 82 8.615 8.615 8.460 0.155 19459 447 1 . 1 1 83 83 GLY N N 83 119.507 119.507 115.390 4.117 19459 448 1 . 1 1 83 83 GLY C C 83 174.662 174.662 174.004 0.658 19459 449 1 . 1 1 83 83 GLY CA C 83 44.491 44.491 44.606 -0.115 19459 450 1 . 1 1 83 83 GLY H H 83 9.086 9.086 8.220 0.866 19459 451 1 . 1 1 84 84 SER N N 84 118.128 118.128 117.083 1.045 19459 452 1 . 1 1 84 84 SER HA H 84 4.415 4.415 4.536 -0.121 19459 453 1 . 1 1 84 84 SER C C 84 177.247 177.247 173.314 3.933 19459 454 1 . 1 1 84 84 SER CA C 84 60.111 60.111 58.720 1.391 19459 455 1 . 1 1 84 84 SER CB C 84 64.281 64.281 64.944 -0.663 19459 456 1 . 1 1 84 84 SER H H 84 8.573 8.573 7.757 0.816 19459 457 1 . 1 1 85 85 GLN N N 85 119.913 119.913 123.489 -3.576 19459 458 1 . 1 1 85 85 GLN HA H 85 5.819 5.819 5.814 0.005 19459 459 1 . 1 1 85 85 GLN C C 85 172.795 172.795 174.797 -2.002 19459 460 1 . 1 1 85 85 GLN CA C 85 54.165 54.165 54.286 -0.121 19459 461 1 . 1 1 85 85 GLN CB C 85 32.744 32.744 32.504 0.240 19459 462 1 . 1 1 85 85 GLN H H 85 8.211 8.211 8.542 -0.331 19459 463 1 . 1 1 86 86 ILE N N 86 119.724 119.724 119.613 0.111 19459 464 1 . 1 1 86 86 ILE HA H 86 4.757 4.757 5.052 -0.295 19459 465 1 . 1 1 86 86 ILE C C 86 174.969 174.969 173.723 1.246 19459 466 1 . 1 1 86 86 ILE CA C 86 59.827 59.827 58.417 1.410 19459 467 1 . 1 1 86 86 ILE CB C 86 40.794 40.794 41.765 -0.971 19459 468 1 . 1 1 86 86 ILE H H 86 9.215 9.215 8.968 0.247 19459 469 1 . 1 1 87 87 LYS N N 87 117.135 117.135 120.161 -3.026 19459 470 1 . 1 1 87 87 LYS HA H 87 5.235 5.235 4.984 0.251 19459 471 1 . 1 1 87 87 LYS C C 87 174.599 174.599 175.502 -0.903 19459 472 1 . 1 1 87 87 LYS CA C 87 53.713 53.713 54.165 -0.452 19459 473 1 . 1 1 87 87 LYS CB C 87 36.827 36.827 34.819 2.008 19459 474 1 . 1 1 87 87 LYS H H 87 7.600 7.600 8.630 -1.030 19459 475 1 . 1 1 88 88 TYR N N 88 119.004 119.004 122.937 -3.933 19459 476 1 . 1 1 88 88 TYR HA H 88 5.422 5.422 4.868 0.554 19459 477 1 . 1 1 88 88 TYR C C 88 174.407 174.407 175.097 -0.690 19459 478 1 . 1 1 88 88 TYR CA C 88 56.935 56.935 56.996 -0.061 19459 479 1 . 1 1 88 88 TYR CB C 88 43.959 43.959 39.329 4.630 19459 480 1 . 1 1 88 88 TYR H H 88 8.601 8.601 9.220 -0.619 19459 481 1 . 1 1 89 89 SER N N 89 113.228 113.228 116.661 -3.433 19459 482 1 . 1 1 89 89 SER HA H 89 4.668 4.668 4.940 -0.272 19459 483 1 . 1 1 89 89 SER C C 89 177.136 177.136 174.082 3.054 19459 484 1 . 1 1 89 89 SER CA C 89 57.291 57.291 57.211 0.080 19459 485 1 . 1 1 89 89 SER CB C 89 66.534 66.534 64.650 1.884 19459 486 1 . 1 1 89 89 SER H H 89 9.007 9.007 8.202 0.805 19459 487 1 . 1 1 90 90 CYS N N 90 116.009 116.009 121.487 -5.478 19459 488 1 . 1 1 90 90 CYS HA H 90 5.421 5.421 4.404 1.017 19459 489 1 . 1 1 90 90 CYS C C 90 173.812 173.812 174.154 -0.342 19459 490 1 . 1 1 90 90 CYS CA C 90 53.084 53.084 58.352 -5.268 19459 491 1 . 1 1 90 90 CYS CB C 90 41.404 41.404 27.622 13.782 19459 492 1 . 1 1 90 90 CYS H H 90 8.806 8.806 8.220 0.586 19459 493 1 . 1 1 91 91 THR N N 91 120.813 120.813 112.258 8.555 19459 494 1 . 1 1 91 91 THR HA H 91 3.994 3.994 4.336 -0.342 19459 495 1 . 1 1 91 91 THR C C 91 176.445 176.445 174.218 2.228 19459 496 1 . 1 1 91 91 THR CA C 91 63.440 63.440 61.298 2.142 19459 497 1 . 1 1 91 91 THR CB C 91 69.608 69.608 70.965 -1.357 19459 498 1 . 1 1 91 91 THR H H 91 8.737 8.737 6.723 2.014 19459 499 1 . 1 1 92 92 LYS N N 92 124.963 124.963 122.952 2.011 19459 500 1 . 1 1 92 92 LYS HA H 92 4.104 4.104 4.246 -0.142 19459 501 1 . 1 1 92 92 LYS C C 92 172.310 172.310 177.721 -5.411 19459 502 1 . 1 1 92 92 LYS CA C 92 58.887 58.887 57.948 0.939 19459 503 1 . 1 1 92 92 LYS CB C 92 32.139 32.139 32.503 -0.364 19459 504 1 . 1 1 92 92 LYS H H 92 8.325 8.325 8.507 -0.182 19459 505 1 . 1 1 93 93 GLY N N 93 113.608 113.608 109.025 4.583 19459 506 1 . 1 1 93 93 GLY C C 93 175.127 175.127 173.124 2.003 19459 507 1 . 1 1 93 93 GLY CA C 93 44.711 44.711 44.578 0.133 19459 508 1 . 1 1 93 93 GLY H H 93 8.827 8.827 8.266 0.561 19459 509 1 . 1 1 94 94 TYR N N 94 119.900 119.900 120.004 -0.104 19459 510 1 . 1 1 94 94 TYR HA H 94 4.642 4.642 4.856 -0.213 19459 511 1 . 1 1 94 94 TYR C C 94 174.548 174.548 173.453 1.095 19459 512 1 . 1 1 94 94 TYR CA C 94 57.158 57.158 55.918 1.240 19459 513 1 . 1 1 94 94 TYR CB C 94 40.194 40.194 40.051 0.143 19459 514 1 . 1 1 94 94 TYR H H 94 8.281 8.281 7.665 0.616 19459 515 1 . 1 1 95 95 ARG N N 95 122.431 122.431 120.194 2.237 19459 516 1 . 1 1 95 95 ARG HA H 95 4.528 4.528 4.139 0.389 19459 517 1 . 1 1 95 95 ARG C C 95 175.179 175.179 173.866 1.313 19459 518 1 . 1 1 95 95 ARG CA C 95 54.553 54.553 54.349 0.204 19459 519 1 . 1 1 95 95 ARG CB C 95 32.201 32.201 32.571 -0.370 19459 520 1 . 1 1 95 95 ARG H H 95 9.608 9.608 8.323 1.284 19459 521 1 . 1 1 96 96 LEU N N 96 125.652 125.652 123.849 1.803 19459 522 1 . 1 1 96 96 LEU HA H 96 4.662 4.662 4.676 -0.014 19459 523 1 . 1 1 96 96 LEU C C 96 172.420 172.420 176.576 -4.156 19459 524 1 . 1 1 96 96 LEU CA C 96 56.503 56.503 54.042 2.461 19459 525 1 . 1 1 96 96 LEU CB C 96 42.806 42.806 43.671 -0.865 19459 526 1 . 1 1 96 96 LEU H H 96 8.231 8.231 8.284 -0.053 19459 527 1 . 1 1 97 97 ILE N N 97 131.597 131.597 125.155 6.442 19459 528 1 . 1 1 97 97 ILE HA H 97 4.240 4.240 3.917 0.323 19459 529 1 . 1 1 97 97 ILE C C 97 174.158 174.158 176.805 -2.647 19459 530 1 . 1 1 97 97 ILE CA C 97 61.169 61.169 62.135 -0.966 19459 531 1 . 1 1 97 97 ILE CB C 97 37.803 37.803 37.878 -0.075 19459 532 1 . 1 1 97 97 ILE H H 97 9.661 9.661 8.391 1.270 19459 533 1 . 1 1 98 98 GLY N N 98 116.731 116.731 107.062 9.669 19459 534 1 . 1 1 98 98 GLY C C 98 176.923 176.923 173.833 3.090 19459 535 1 . 1 1 98 98 GLY CA C 98 43.064 43.064 43.963 -0.899 19459 536 1 . 1 1 98 98 GLY H H 98 8.465 8.465 7.757 0.708 19459 537 1 . 1 1 99 99 SER N N 99 116.632 116.632 116.476 0.156 19459 538 1 . 1 1 99 99 SER HA H 99 4.509 4.509 4.498 0.011 19459 539 1 . 1 1 99 99 SER C C 99 175.013 175.013 174.749 0.264 19459 540 1 . 1 1 99 99 SER CA C 99 58.328 58.328 58.405 -0.077 19459 541 1 . 1 1 99 99 SER CB C 99 63.996 63.996 63.304 0.692 19459 542 1 . 1 1 99 99 SER H H 99 8.759 8.759 8.474 0.285 19459 543 1 . 1 1 100 100 SER N N 100 116.696 116.696 119.942 -3.246 19459 544 1 . 1 1 100 100 SER HA H 100 4.447 4.447 4.477 -0.030 19459 545 1 . 1 1 100 100 SER C C 100 175.403 175.403 174.395 1.008 19459 546 1 . 1 1 100 100 SER CA C 100 59.209 59.209 60.103 -0.894 19459 547 1 . 1 1 100 100 SER CB C 100 64.035 64.035 63.728 0.307 19459 548 1 . 1 1 100 100 SER H H 100 8.617 8.617 8.580 0.037 19459 549 1 . 1 1 101 101 SER N N 101 115.247 115.247 114.870 0.377 19459 550 1 . 1 1 101 101 SER HA H 101 5.346 5.346 5.380 -0.034 19459 551 1 . 1 1 101 101 SER C C 101 176.888 176.888 173.051 3.837 19459 552 1 . 1 1 101 101 SER CA C 101 57.021 57.021 56.917 0.104 19459 553 1 . 1 1 101 101 SER CB C 101 66.391 66.391 65.884 0.507 19459 554 1 . 1 1 101 101 SER H H 101 7.952 7.952 7.601 0.351 19459 555 1 . 1 1 102 102 ALA N N 102 121.438 121.438 125.149 -3.711 19459 556 1 . 1 1 102 102 ALA HA H 102 5.087 5.087 5.098 -0.012 19459 557 1 . 1 1 102 102 ALA C C 102 173.807 173.807 176.165 -2.358 19459 558 1 . 1 1 102 102 ALA CA C 102 51.823 51.823 51.068 0.755 19459 559 1 . 1 1 102 102 ALA CB C 102 24.071 24.071 22.014 2.057 19459 560 1 . 1 1 102 102 ALA H H 102 8.286 8.286 8.663 -0.377 19459 561 1 . 1 1 103 103 THR N N 103 118.007 118.007 118.331 -0.324 19459 562 1 . 1 1 103 103 THR HA H 103 5.560 5.560 5.355 0.205 19459 563 1 . 1 1 103 103 THR C C 103 176.159 176.159 173.984 2.175 19459 564 1 . 1 1 103 103 THR CA C 103 61.342 61.342 61.664 -0.322 19459 565 1 . 1 1 103 103 THR CB C 103 71.171 71.171 70.994 0.177 19459 566 1 . 1 1 103 103 THR H H 103 9.636 9.636 9.419 0.217 19459 567 1 . 1 1 104 104 CYS N N 104 127.602 127.602 128.407 -0.805 19459 568 1 . 1 1 104 104 CYS HA H 104 4.366 4.366 4.904 -0.538 19459 569 1 . 1 1 104 104 CYS C C 104 174.892 174.892 174.181 0.711 19459 570 1 . 1 1 104 104 CYS CA C 104 55.479 55.479 58.060 -2.581 19459 571 1 . 1 1 104 104 CYS CB C 104 39.185 39.185 26.279 12.906 19459 572 1 . 1 1 104 104 CYS H H 104 8.338 8.338 8.732 -0.394 19459 573 1 . 1 1 105 105 ILE N N 105 126.775 126.775 123.886 2.889 19459 574 1 . 1 1 105 105 ILE HA H 105 4.909 4.909 5.070 -0.161 19459 575 1 . 1 1 105 105 ILE C C 105 174.390 174.390 173.747 0.643 19459 576 1 . 1 1 105 105 ILE CA C 105 60.221 60.221 58.914 1.307 19459 577 1 . 1 1 105 105 ILE CB C 105 42.522 42.522 41.651 0.871 19459 578 1 . 1 1 105 105 ILE H H 105 9.375 9.375 9.196 0.180 19459 579 1 . 1 1 106 106 ILE N N 106 118.256 118.256 122.064 -3.808 19459 580 1 . 1 1 106 106 ILE HA H 106 4.070 4.070 4.163 -0.093 19459 581 1 . 1 1 106 106 ILE C C 106 172.560 172.560 176.769 -4.209 19459 582 1 . 1 1 106 106 ILE CA C 106 61.889 61.889 60.287 1.601 19459 583 1 . 1 1 106 106 ILE CB C 106 39.685 39.685 36.456 3.229 19459 584 1 . 1 1 106 106 ILE H H 106 8.041 8.041 8.433 -0.393 19459 585 1 . 1 1 107 107 SER N N 107 120.167 120.167 123.179 -3.012 19459 586 1 . 1 1 107 107 SER HA H 107 4.376 4.376 4.394 -0.018 19459 587 1 . 1 1 107 107 SER C C 107 174.594 174.594 175.324 -0.730 19459 588 1 . 1 1 107 107 SER CA C 107 57.111 57.111 59.378 -2.267 19459 589 1 . 1 1 107 107 SER CB C 107 63.835 63.835 64.189 -0.354 19459 590 1 . 1 1 107 107 SER H H 107 8.013 8.013 8.986 -0.973 19459 591 1 . 1 1 108 108 GLY N N 108 119.089 119.089 109.726 9.363 19459 592 1 . 1 1 108 108 GLY C C 108 174.665 174.665 174.005 0.660 19459 593 1 . 1 1 108 108 GLY CA C 108 47.488 47.488 45.417 2.071 19459 594 1 . 1 1 108 108 GLY H H 108 9.116 9.116 7.653 1.463 19459 595 1 . 1 1 109 109 ASP N N 109 127.143 127.143 121.885 5.258 19459 596 1 . 1 1 109 109 ASP HA H 109 4.761 4.761 4.630 0.131 19459 597 1 . 1 1 109 109 ASP C C 109 173.724 173.724 176.177 -2.453 19459 598 1 . 1 1 109 109 ASP CA C 109 53.723 53.723 55.191 -1.468 19459 599 1 . 1 1 109 109 ASP CB C 109 41.232 41.232 41.462 -0.230 19459 600 1 . 1 1 109 109 ASP H H 109 8.845 8.845 8.376 0.469 19459 601 1 . 1 1 110 110 THR N N 110 115.044 115.044 111.357 3.687 19459 602 1 . 1 1 110 110 THR HA H 110 4.663 4.663 4.496 0.167 19459 603 1 . 1 1 110 110 THR C C 110 175.636 175.636 172.337 3.299 19459 604 1 . 1 1 110 110 THR CA C 110 58.612 58.612 60.613 -2.001 19459 605 1 . 1 1 110 110 THR CB C 110 71.146 71.146 70.781 0.365 19459 606 1 . 1 1 110 110 THR H H 110 8.134 8.134 7.375 0.759 19459 607 1 . 1 1 111 111 VAL N N 111 115.728 115.728 119.295 -3.567 19459 608 1 . 1 1 111 111 VAL HA H 111 5.315 5.315 4.927 0.388 19459 609 1 . 1 1 111 111 VAL C C 111 174.752 174.752 174.351 0.401 19459 610 1 . 1 1 111 111 VAL CA C 111 58.641 58.641 60.074 -1.433 19459 611 1 . 1 1 111 111 VAL CB C 111 33.824 33.824 32.859 0.965 19459 612 1 . 1 1 111 111 VAL H H 111 8.310 8.310 8.417 -0.107 19459 613 1 . 1 1 112 112 ILE N N 112 117.116 117.116 119.142 -2.026 19459 614 1 . 1 1 112 112 ILE HA H 112 4.506 4.506 4.673 -0.167 19459 615 1 . 1 1 112 112 ILE C C 112 174.637 174.637 174.290 0.347 19459 616 1 . 1 1 112 112 ILE CA C 112 59.495 59.495 58.944 0.551 19459 617 1 . 1 1 112 112 ILE CB C 112 43.191 43.191 41.836 1.355 19459 618 1 . 1 1 112 112 ILE H H 112 8.945 8.945 8.596 0.349 19459 619 1 . 1 1 113 113 TRP N N 113 121.755 121.755 121.715 0.040 19459 620 1 . 1 1 113 113 TRP HA H 113 5.107 5.107 5.075 0.032 19459 621 1 . 1 1 113 113 TRP C C 113 170.413 170.413 176.845 -6.432 19459 622 1 . 1 1 113 113 TRP CA C 113 56.377 56.377 56.575 -0.198 19459 623 1 . 1 1 113 113 TRP CB C 113 30.296 30.296 31.065 -0.769 19459 624 1 . 1 1 113 113 TRP H H 113 7.567 7.567 8.574 -1.007 19459 625 1 . 1 1 114 114 ASP N N 114 123.286 123.286 119.840 3.446 19459 626 1 . 1 1 114 114 ASP HA H 114 4.207 4.207 4.519 -0.312 19459 627 1 . 1 1 114 114 ASP C C 114 174.083 174.083 176.340 -2.257 19459 628 1 . 1 1 114 114 ASP CA C 114 55.401 55.401 54.921 0.480 19459 629 1 . 1 1 114 114 ASP CB C 114 40.149 40.149 41.040 -0.891 19459 630 1 . 1 1 114 114 ASP H H 114 9.451 9.451 8.570 0.881 19459 631 1 . 1 1 115 115 GLN N N 115 116.139 116.139 119.314 -3.175 19459 632 1 . 1 1 115 115 GLN HA H 115 4.745 4.745 4.151 0.594 19459 633 1 . 1 1 115 115 GLN C C 115 173.639 173.639 176.622 -2.983 19459 634 1 . 1 1 115 115 GLN CA C 115 53.183 53.183 56.584 -3.401 19459 635 1 . 1 1 115 115 GLN CB C 115 32.323 32.323 29.060 3.263 19459 636 1 . 1 1 115 115 GLN H H 115 7.305 7.305 7.940 -0.635 19459 637 1 . 1 1 116 116 GLU N N 116 120.881 120.881 124.711 -3.830 19459 638 1 . 1 1 116 116 GLU HA H 116 4.330 4.330 4.209 0.121 19459 639 1 . 1 1 116 116 GLU C C 116 173.578 173.578 176.689 -3.111 19459 640 1 . 1 1 116 116 GLU CA C 116 55.157 55.157 58.163 -3.006 19459 641 1 . 1 1 116 116 GLU CB C 116 30.215 30.215 30.168 0.047 19459 642 1 . 1 1 116 116 GLU H H 116 8.615 8.615 8.770 -0.155 19459 643 1 . 1 1 117 117 THR N N 117 119.889 119.889 110.497 9.392 19459 644 1 . 1 1 117 117 THR HA H 117 3.609 3.609 4.353 -0.744 19459 645 1 . 1 1 117 117 THR C C 117 176.699 176.699 171.651 5.048 19459 646 1 . 1 1 117 117 THR CA C 117 61.757 61.757 60.424 1.333 19459 647 1 . 1 1 117 117 THR CB C 117 69.799 69.799 69.673 0.126 19459 648 1 . 1 1 117 117 THR H H 117 8.075 8.075 7.517 0.558 19459 649 1 . 1 1 118 118 PRO HA H 118 4.532 4.532 4.334 0.198 19459 650 1 . 1 1 118 118 PRO C C 118 175.300 175.300 175.804 -0.504 19459 651 1 . 1 1 118 118 PRO CA C 118 62.360 62.360 62.851 -0.491 19459 652 1 . 1 1 118 118 PRO CB C 118 32.888 32.888 31.959 0.929 19459 653 1 . 1 1 119 119 ILE N N 119 114.729 114.729 122.029 -7.300 19459 654 1 . 1 1 119 119 ILE HA H 119 4.287 4.287 4.303 -0.016 19459 655 1 . 1 1 119 119 ILE C C 119 174.748 174.748 174.799 -0.051 19459 656 1 . 1 1 119 119 ILE CA C 119 59.242 59.242 60.514 -1.272 19459 657 1 . 1 1 119 119 ILE CB C 119 41.184 41.184 41.765 -0.581 19459 658 1 . 1 1 119 119 ILE H H 119 7.874 7.874 7.903 -0.029 19459 659 1 . 1 1 120 120 CYS N N 120 123.444 123.444 125.845 -2.401 19459 660 1 . 1 1 120 120 CYS HA H 120 5.550 5.550 4.901 0.649 19459 661 1 . 1 1 120 120 CYS C C 120 175.583 175.583 174.981 0.602 19459 662 1 . 1 1 120 120 CYS CA C 120 53.694 53.694 58.385 -4.691 19459 663 1 . 1 1 120 120 CYS CB C 120 41.450 41.450 28.142 13.309 19459 664 1 . 1 1 120 120 CYS H H 120 8.583 8.583 8.655 -0.072 19459 665 1 . 1 1 121 121 ASP N N 121 124.459 124.459 125.258 -0.799 19459 666 1 . 1 1 121 121 ASP HA H 121 5.307 5.307 4.484 0.823 19459 667 1 . 1 1 121 121 ASP C C 121 174.495 174.495 176.384 -1.889 19459 668 1 . 1 1 121 121 ASP CA C 121 52.217 52.217 55.383 -3.166 19459 669 1 . 1 1 121 121 ASP CB C 121 44.403 44.403 41.577 2.826 19459 670 1 . 1 1 121 121 ASP H H 121 9.309 9.309 8.975 0.334 19459 stop_ save_