data_25142 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25142 _Entry.PDB_ID 2MSY 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 25142 _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 ASN N N 2 125.670 125.670 118.430 7.240 25142 2 1 1 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.460 -0.323 25142 3 1 1 . 1 1 2 2 ASN C C 2 170.976 170.976 174.808 -3.832 25142 4 1 1 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.928 1.884 25142 5 1 1 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.703 -1.815 25142 6 1 1 . 1 1 2 2 ASN H H 2 7.926 7.926 8.360 -0.434 25142 7 1 1 . 1 1 3 3 TRP N N 3 122.562 122.562 118.792 3.770 25142 8 1 1 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.856 -0.094 25142 9 1 1 . 1 1 3 3 TRP C C 3 176.062 176.062 176.899 -0.837 25142 10 1 1 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.559 -0.589 25142 11 1 1 . 1 1 3 3 TRP CB C 3 29.629 29.629 30.329 -0.700 25142 12 1 1 . 1 1 3 3 TRP H H 3 7.920 7.920 8.465 -0.545 25142 13 1 1 . 1 1 4 4 ILE N N 4 122.339 122.339 114.980 7.359 25142 14 1 1 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.171 -0.000 25142 15 1 1 . 1 1 4 4 ILE C C 4 175.825 175.825 175.872 -0.047 25142 16 1 1 . 1 1 4 4 ILE CA C 4 61.409 61.409 60.987 0.422 25142 17 1 1 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.696 0.949 25142 18 1 1 . 1 1 4 4 ILE H H 4 7.893 7.893 7.899 -0.006 25142 19 1 1 . 1 1 5 5 HIS N N 5 122.699 122.699 118.286 4.413 25142 20 1 1 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.560 -0.032 25142 21 1 1 . 1 1 5 5 HIS C C 5 175.039 175.039 174.647 0.392 25142 22 1 1 . 1 1 5 5 HIS CA C 5 56.069 56.069 56.038 0.031 25142 23 1 1 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.640 0.994 25142 24 1 1 . 1 1 5 5 HIS H H 5 8.015 8.015 7.956 0.059 25142 25 1 1 . 1 1 6 6 ALA N N 6 125.335 125.335 123.531 1.804 25142 26 1 1 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.320 -0.052 25142 27 1 1 . 1 1 6 6 ALA C C 6 177.735 177.735 177.595 0.140 25142 28 1 1 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.013 0.684 25142 29 1 1 . 1 1 6 6 ALA CB C 6 19.253 19.253 19.393 -0.140 25142 30 1 1 . 1 1 6 6 ALA H H 6 8.183 8.183 7.662 0.521 25142 31 1 1 . 1 1 7 7 ARG N N 7 120.137 120.137 122.594 -2.457 25142 32 1 1 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.432 -0.141 25142 33 1 1 . 1 1 7 7 ARG C C 7 176.556 176.556 175.497 1.059 25142 34 1 1 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.867 0.359 25142 35 1 1 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.495 0.438 25142 36 1 1 . 1 1 7 7 ARG H H 7 8.399 8.399 8.335 0.064 25142 37 1 1 . 1 1 9 9 THR N N 9 115.696 115.696 114.655 1.041 25142 38 1 1 . 1 1 9 9 THR HA H 9 4.311 4.311 4.308 0.003 25142 39 1 1 . 1 1 9 9 THR C C 9 174.493 174.493 174.171 0.322 25142 40 1 1 . 1 1 9 9 THR CA C 9 61.970 61.970 62.694 -0.724 25142 41 1 1 . 1 1 9 9 THR CB C 9 69.840 69.840 69.239 0.601 25142 42 1 1 . 1 1 9 9 THR H H 9 8.081 8.081 8.129 -0.048 25142 43 1 1 . 1 1 10 10 ARG N N 10 123.599 123.599 124.137 -0.538 25142 44 1 1 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.430 -0.117 25142 45 1 1 . 1 1 10 10 ARG C C 10 176.173 176.173 175.054 1.119 25142 46 1 1 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.978 0.249 25142 47 1 1 . 1 1 10 10 ARG CB C 10 30.933 30.933 32.365 -1.432 25142 48 1 1 . 1 1 10 10 ARG H H 10 8.275 8.275 8.315 -0.040 25142 49 1 1 . 1 1 11 11 LYS N N 11 123.132 123.132 120.819 2.313 25142 50 1 1 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.101 0.197 25142 51 1 1 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.965 -0.317 25142 52 1 1 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.030 1.151 25142 53 1 1 . 1 1 11 11 LYS H H 11 8.334 8.334 8.516 -0.182 25142 54 1 1 . 1 1 12 12 LYS N N 12 123.229 123.229 122.053 1.176 25142 55 1 1 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.446 -0.192 25142 56 1 1 . 1 1 12 12 LYS C C 12 176.124 176.124 176.072 0.052 25142 57 1 1 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.524 1.107 25142 58 1 1 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.714 -0.550 25142 59 1 1 . 1 1 12 12 LYS H H 12 8.357 8.357 8.034 0.323 25142 60 1 1 . 1 1 13 13 ARG N N 13 123.166 123.166 122.624 0.542 25142 61 1 1 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.307 0.010 25142 62 1 1 . 1 1 13 13 ARG C C 13 175.831 175.831 176.162 -0.331 25142 63 1 1 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.672 -1.462 25142 64 1 1 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.555 -0.482 25142 65 1 1 . 1 1 13 13 ARG H H 13 8.439 8.439 8.643 -0.204 25142 66 1 1 . 1 1 14 14 CYS N N 14 123.412 123.412 117.917 5.495 25142 67 1 1 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.887 -0.273 25142 68 1 1 . 1 1 14 14 CYS CA C 14 56.771 56.771 56.324 0.447 25142 69 1 1 . 1 1 14 14 CYS H H 14 8.542 8.542 8.204 0.338 25142 70 1 1 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.260 0.073 25142 71 1 1 . 1 1 15 15 PRO C C 15 175.713 175.713 175.866 -0.153 25142 72 1 1 . 1 1 15 15 PRO CA C 15 63.798 63.798 64.042 -0.244 25142 73 1 1 . 1 1 15 15 PRO CB C 15 32.040 32.040 32.053 -0.013 25142 74 1 1 . 1 1 16 16 TYR N N 16 116.961 116.961 117.580 -0.619 25142 75 1 1 . 1 1 16 16 TYR HA H 16 4.925 4.925 5.221 -0.296 25142 76 1 1 . 1 1 16 16 TYR C C 16 176.803 176.803 176.178 0.625 25142 77 1 1 . 1 1 16 16 TYR CA C 16 56.583 56.583 57.318 -0.735 25142 78 1 1 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.538 1.507 25142 79 1 1 . 1 1 16 16 TYR H H 16 7.539 7.539 7.916 -0.377 25142 80 1 1 . 1 1 17 17 THR N N 17 115.107 115.107 117.792 -2.685 25142 81 1 1 . 1 1 17 17 THR HA H 17 4.469 4.469 4.838 -0.369 25142 82 1 1 . 1 1 17 17 THR C C 17 175.593 175.593 175.855 -0.262 25142 83 1 1 . 1 1 17 17 THR CA C 17 60.987 60.987 59.227 1.760 25142 84 1 1 . 1 1 17 17 THR CB C 17 71.240 71.240 70.802 0.438 25142 85 1 1 . 1 1 17 17 THR H H 17 9.305 9.305 8.260 1.045 25142 86 1 1 . 1 1 18 18 LYS N N 18 123.297 123.297 121.252 2.045 25142 87 1 1 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.071 0.020 25142 88 1 1 . 1 1 18 18 LYS C C 18 178.363 178.363 178.229 0.134 25142 89 1 1 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.045 0.959 25142 90 1 1 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.128 -0.088 25142 91 1 1 . 1 1 18 18 LYS H H 18 8.990 8.990 8.914 0.076 25142 92 1 1 . 1 1 19 19 TYR N N 19 118.372 118.372 121.771 -3.399 25142 93 1 1 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.147 0.024 25142 94 1 1 . 1 1 19 19 TYR C C 19 176.959 176.959 177.474 -0.515 25142 95 1 1 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.142 -0.734 25142 96 1 1 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.392 0.410 25142 97 1 1 . 1 1 19 19 TYR H H 19 8.334 8.334 7.692 0.642 25142 98 1 1 . 1 1 20 20 GLN N N 20 116.238 116.238 117.348 -1.110 25142 99 1 1 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.924 -0.388 25142 100 1 1 . 1 1 20 20 GLN C C 20 177.491 177.491 178.348 -0.857 25142 101 1 1 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.707 -0.406 25142 102 1 1 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.055 0.050 25142 103 1 1 . 1 1 20 20 GLN H H 20 7.771 7.771 8.546 -0.775 25142 104 1 1 . 1 1 21 21 THR N N 21 112.943 112.943 114.890 -1.947 25142 105 1 1 . 1 1 21 21 THR HA H 21 3.401 3.401 4.130 -0.729 25142 106 1 1 . 1 1 21 21 THR C C 21 175.530 175.530 176.541 -1.011 25142 107 1 1 . 1 1 21 21 THR CA C 21 67.451 67.451 65.732 1.719 25142 108 1 1 . 1 1 21 21 THR CB C 21 68.856 68.856 68.765 0.091 25142 109 1 1 . 1 1 21 21 THR H H 21 8.468 8.468 7.837 0.631 25142 110 1 1 . 1 1 22 22 LEU N N 22 121.513 121.513 121.461 0.052 25142 111 1 1 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.591 -0.612 25142 112 1 1 . 1 1 22 22 LEU C C 22 180.452 180.452 178.170 2.282 25142 113 1 1 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.930 0.106 25142 114 1 1 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.569 0.307 25142 115 1 1 . 1 1 22 22 LEU H H 22 8.054 8.054 7.412 0.642 25142 116 1 1 . 1 1 23 23 GLU N N 23 118.464 118.464 118.463 0.001 25142 117 1 1 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.157 -0.321 25142 118 1 1 . 1 1 23 23 GLU C C 23 179.824 179.824 179.329 0.495 25142 119 1 1 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.520 0.078 25142 120 1 1 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.569 1.363 25142 121 1 1 . 1 1 23 23 GLU H H 23 7.732 7.732 7.614 0.118 25142 122 1 1 . 1 1 24 24 LEU N N 24 124.210 124.210 119.651 4.559 25142 123 1 1 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.150 -0.638 25142 124 1 1 . 1 1 24 24 LEU C C 24 177.592 177.592 179.212 -1.620 25142 125 1 1 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.701 0.757 25142 126 1 1 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.126 -4.606 25142 127 1 1 . 1 1 24 24 LEU H H 24 8.335 8.335 8.522 -0.187 25142 128 1 1 . 1 1 25 25 GLU N N 25 119.137 119.137 118.490 0.647 25142 129 1 1 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.014 0.233 25142 130 1 1 . 1 1 25 25 GLU C C 25 179.021 179.021 178.991 0.030 25142 131 1 1 . 1 1 25 25 GLU CA C 25 60.003 60.003 59.223 0.780 25142 132 1 1 . 1 1 25 25 GLU CB C 25 28.668 28.668 28.862 -0.194 25142 133 1 1 . 1 1 25 25 GLU H H 25 7.912 7.912 8.316 -0.404 25142 134 1 1 . 1 1 26 26 LYS N N 26 118.579 118.579 119.376 -0.797 25142 135 1 1 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.132 -0.215 25142 136 1 1 . 1 1 26 26 LYS C C 26 179.351 179.351 179.302 0.049 25142 137 1 1 . 1 1 26 26 LYS CA C 26 60.003 60.003 59.141 0.862 25142 138 1 1 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.522 0.080 25142 139 1 1 . 1 1 26 26 LYS H H 26 7.537 7.537 7.677 -0.140 25142 140 1 1 . 1 1 27 27 GLU N N 27 120.048 120.048 118.706 1.342 25142 141 1 1 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.374 -0.229 25142 142 1 1 . 1 1 27 27 GLU C C 27 178.189 178.189 178.090 0.099 25142 143 1 1 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.109 0.911 25142 144 1 1 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.505 -0.978 25142 145 1 1 . 1 1 27 27 GLU H H 27 7.849 7.849 7.559 0.290 25142 146 1 1 . 1 1 28 28 PHE N N 28 122.074 122.074 119.088 2.986 25142 147 1 1 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.145 0.213 25142 148 1 1 . 1 1 28 28 PHE C C 28 176.148 176.148 176.515 -0.367 25142 149 1 1 . 1 1 28 28 PHE CA C 28 61.830 61.830 61.019 0.811 25142 150 1 1 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.429 -0.082 25142 151 1 1 . 1 1 28 28 PHE H H 28 8.893 8.893 8.000 0.893 25142 152 1 1 . 1 1 29 29 LEU N N 29 115.649 115.649 116.279 -0.630 25142 153 1 1 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.283 -0.320 25142 154 1 1 . 1 1 29 29 LEU C C 29 179.362 179.362 177.707 1.655 25142 155 1 1 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.329 -0.979 25142 156 1 1 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.710 0.046 25142 157 1 1 . 1 1 29 29 LEU H H 29 7.919 7.919 7.326 0.593 25142 158 1 1 . 1 1 30 30 PHE N N 30 119.314 119.314 116.855 2.459 25142 159 1 1 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.508 -0.063 25142 160 1 1 . 1 1 30 30 PHE C C 30 176.451 176.451 176.652 -0.201 25142 161 1 1 . 1 1 30 30 PHE CA C 30 59.582 59.582 58.578 1.004 25142 162 1 1 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.031 1.597 25142 163 1 1 . 1 1 30 30 PHE H H 30 7.584 7.584 7.471 0.113 25142 164 1 1 . 1 1 31 31 ASN N N 31 116.457 116.457 117.910 -1.453 25142 165 1 1 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.308 0.284 25142 166 1 1 . 1 1 31 31 ASN C C 31 173.302 173.302 176.204 -2.902 25142 167 1 1 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.024 -1.063 25142 168 1 1 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.049 1.298 25142 169 1 1 . 1 1 31 31 ASN H H 31 8.375 8.375 7.867 0.508 25142 170 1 1 . 1 1 32 32 MET N N 32 121.247 121.247 118.361 2.886 25142 171 1 1 . 1 1 32 32 MET HA H 32 3.761 3.761 4.168 -0.407 25142 172 1 1 . 1 1 32 32 MET C C 32 174.112 174.112 176.074 -1.962 25142 173 1 1 . 1 1 32 32 MET CA C 32 57.474 57.474 57.258 0.215 25142 174 1 1 . 1 1 32 32 MET CB C 32 33.586 33.586 32.835 0.751 25142 175 1 1 . 1 1 32 32 MET H H 32 8.185 8.185 7.644 0.541 25142 176 1 1 . 1 1 33 33 TYR N N 33 115.333 115.333 116.508 -1.175 25142 177 1 1 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.625 0.052 25142 178 1 1 . 1 1 33 33 TYR C C 33 175.017 175.017 174.001 1.016 25142 179 1 1 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.849 -0.656 25142 180 1 1 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.407 -0.217 25142 181 1 1 . 1 1 33 33 TYR H H 33 7.758 7.758 8.167 -0.409 25142 182 1 1 . 1 1 34 34 LEU N N 34 122.393 122.393 123.189 -0.796 25142 183 1 1 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.601 -0.009 25142 184 1 1 . 1 1 34 34 LEU C C 34 178.373 178.373 175.943 2.430 25142 185 1 1 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.127 -0.166 25142 186 1 1 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.180 -1.336 25142 187 1 1 . 1 1 34 34 LEU H H 34 8.293 8.293 8.319 -0.026 25142 188 1 1 . 1 1 35 35 THR N N 35 113.078 113.078 116.544 -3.466 25142 189 1 1 . 1 1 35 35 THR HA H 35 4.445 4.445 4.708 -0.263 25142 190 1 1 . 1 1 35 35 THR C C 35 175.115 175.115 175.514 -0.399 25142 191 1 1 . 1 1 35 35 THR CA C 35 59.582 59.582 60.430 -0.848 25142 192 1 1 . 1 1 35 35 THR CB C 35 70.823 70.823 70.604 0.219 25142 193 1 1 . 1 1 35 35 THR H H 35 7.729 7.729 8.016 -0.287 25142 194 1 1 . 1 1 36 36 ARG N N 36 122.118 122.118 122.902 -0.784 25142 195 1 1 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.064 -0.235 25142 196 1 1 . 1 1 36 36 ARG C C 36 178.596 178.596 177.849 0.747 25142 197 1 1 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.334 0.810 25142 198 1 1 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.485 -1.395 25142 199 1 1 . 1 1 36 36 ARG H H 36 8.951 8.951 8.853 0.098 25142 200 1 1 . 1 1 37 37 ASP N N 37 116.410 116.410 118.863 -2.453 25142 201 1 1 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.314 0.112 25142 202 1 1 . 1 1 37 37 ASP C C 37 178.603 178.603 178.386 0.217 25142 203 1 1 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.394 -0.639 25142 204 1 1 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.292 -0.102 25142 205 1 1 . 1 1 37 37 ASP H H 37 8.454 8.454 7.800 0.654 25142 206 1 1 . 1 1 38 38 ARG N N 38 121.073 121.073 118.793 2.280 25142 207 1 1 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.429 -0.212 25142 208 1 1 . 1 1 38 38 ARG C C 38 177.751 177.751 178.776 -1.025 25142 209 1 1 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.327 -0.713 25142 210 1 1 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.068 -0.136 25142 211 1 1 . 1 1 38 38 ARG H H 38 7.795 7.795 7.575 0.220 25142 212 1 1 . 1 1 39 39 ARG N N 39 119.603 119.603 118.925 0.678 25142 213 1 1 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.074 -0.400 25142 214 1 1 . 1 1 39 39 ARG C C 39 177.405 177.405 179.227 -1.822 25142 215 1 1 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.383 0.902 25142 216 1 1 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.039 0.034 25142 217 1 1 . 1 1 39 39 ARG H H 39 8.650 8.650 7.624 1.026 25142 218 1 1 . 1 1 40 40 TYR N N 40 116.995 116.995 121.449 -4.454 25142 219 1 1 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.201 -0.130 25142 220 1 1 . 1 1 40 40 TYR C C 40 177.632 177.632 176.664 0.968 25142 221 1 1 . 1 1 40 40 TYR CA C 40 62.392 62.392 61.114 1.278 25142 222 1 1 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.813 -1.012 25142 223 1 1 . 1 1 40 40 TYR H H 40 7.893 7.893 8.355 -0.462 25142 224 1 1 . 1 1 41 41 GLU N N 41 120.324 120.324 118.728 1.596 25142 225 1 1 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.762 0.377 25142 226 1 1 . 1 1 41 41 GLU C C 41 178.263 178.263 179.076 -0.813 25142 227 1 1 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.341 -1.305 25142 228 1 1 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.323 0.750 25142 229 1 1 . 1 1 41 41 GLU H H 41 7.687 7.687 7.936 -0.249 25142 230 1 1 . 1 1 42 42 VAL N N 42 120.030 120.030 114.032 5.998 25142 231 1 1 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.242 -0.721 25142 232 1 1 . 1 1 42 42 VAL C C 42 177.248 177.248 177.300 -0.052 25142 233 1 1 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.516 1.670 25142 234 1 1 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.796 0.806 25142 235 1 1 . 1 1 42 42 VAL H H 42 8.675 8.675 8.140 0.535 25142 236 1 1 . 1 1 43 43 ALA N N 43 119.887 119.887 122.193 -2.306 25142 237 1 1 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.145 -0.577 25142 238 1 1 . 1 1 43 43 ALA C C 43 179.037 179.037 179.232 -0.195 25142 239 1 1 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.373 1.696 25142 240 1 1 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.692 -1.266 25142 241 1 1 . 1 1 43 43 ALA H H 43 8.026 8.026 7.618 0.408 25142 242 1 1 . 1 1 44 44 ARG N N 44 116.238 116.238 117.207 -0.969 25142 243 1 1 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.080 -0.079 25142 244 1 1 . 1 1 44 44 ARG C C 44 180.290 180.290 178.463 1.827 25142 245 1 1 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.724 1.577 25142 246 1 1 . 1 1 44 44 ARG CB C 44 30.073 30.073 29.897 0.176 25142 247 1 1 . 1 1 44 44 ARG H H 44 7.771 7.771 7.837 -0.066 25142 248 1 1 . 1 1 45 45 VAL N N 45 118.391 118.391 114.969 3.422 25142 249 1 1 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.105 -0.295 25142 250 1 1 . 1 1 45 45 VAL C C 45 177.986 177.986 176.719 1.267 25142 251 1 1 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.587 0.616 25142 252 1 1 . 1 1 45 45 VAL CB C 45 32.602 32.602 31.634 0.968 25142 253 1 1 . 1 1 45 45 VAL H H 45 8.250 8.250 7.516 0.734 25142 254 1 1 . 1 1 46 46 LEU N N 46 116.008 116.008 119.569 -3.561 25142 255 1 1 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.408 0.099 25142 256 1 1 . 1 1 46 46 LEU C C 46 176.657 176.657 176.246 0.411 25142 257 1 1 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.709 -0.045 25142 258 1 1 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.070 0.105 25142 259 1 1 . 1 1 46 46 LEU H H 46 7.896 7.896 7.442 0.454 25142 260 1 1 . 1 1 47 47 ASN N N 47 117.881 117.881 114.287 3.594 25142 261 1 1 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.384 0.057 25142 262 1 1 . 1 1 47 47 ASN C C 47 173.788 173.788 174.403 -0.615 25142 263 1 1 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.120 0.684 25142 264 1 1 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.739 0.079 25142 265 1 1 . 1 1 47 47 ASN H H 47 7.992 7.992 7.818 0.174 25142 266 1 1 . 1 1 48 48 LEU N N 48 119.211 119.211 116.059 3.152 25142 267 1 1 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.726 0.151 25142 268 1 1 . 1 1 48 48 LEU C C 48 176.505 176.505 176.692 -0.187 25142 269 1 1 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.870 -0.038 25142 270 1 1 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.978 2.941 25142 271 1 1 . 1 1 48 48 LEU H H 48 8.517 8.517 7.912 0.605 25142 272 1 1 . 1 1 49 49 THR N N 49 109.223 109.223 114.722 -5.499 25142 273 1 1 . 1 1 49 49 THR HA H 49 4.648 4.648 4.573 0.075 25142 274 1 1 . 1 1 49 49 THR C C 49 176.663 176.663 175.579 1.084 25142 275 1 1 . 1 1 49 49 THR CA C 49 60.566 60.566 60.968 -0.402 25142 276 1 1 . 1 1 49 49 THR CB C 49 70.824 70.824 70.336 0.488 25142 277 1 1 . 1 1 49 49 THR H H 49 8.694 8.694 8.545 0.149 25142 278 1 1 . 1 1 50 50 GLU N N 50 121.200 121.200 123.563 -2.363 25142 279 1 1 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.244 -0.591 25142 280 1 1 . 1 1 50 50 GLU C C 50 178.500 178.500 179.054 -0.554 25142 281 1 1 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.279 0.708 25142 282 1 1 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.830 0.102 25142 283 1 1 . 1 1 50 50 GLU H H 50 9.184 9.184 9.011 0.173 25142 284 1 1 . 1 1 51 51 ARG N N 51 119.168 119.168 118.379 0.789 25142 285 1 1 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.298 -0.295 25142 286 1 1 . 1 1 51 51 ARG C C 51 177.979 177.979 178.280 -0.301 25142 287 1 1 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.579 0.722 25142 288 1 1 . 1 1 51 51 ARG CB C 51 30.073 30.073 30.148 -0.075 25142 289 1 1 . 1 1 51 51 ARG H H 51 8.220 8.220 8.552 -0.332 25142 290 1 1 . 1 1 52 52 GLN N N 52 117.548 117.548 120.765 -3.217 25142 291 1 1 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.161 -0.072 25142 292 1 1 . 1 1 52 52 GLN C C 52 180.689 180.689 178.253 2.436 25142 293 1 1 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.554 0.309 25142 294 1 1 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.311 1.902 25142 295 1 1 . 1 1 52 52 GLN H H 52 8.029 8.029 8.062 -0.033 25142 296 1 1 . 1 1 53 53 VAL N N 53 121.408 121.408 118.430 2.978 25142 297 1 1 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.826 -0.013 25142 298 1 1 . 1 1 53 53 VAL C C 53 176.662 176.662 177.768 -1.106 25142 299 1 1 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.484 2.671 25142 300 1 1 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.684 0.918 25142 301 1 1 . 1 1 53 53 VAL H H 53 8.004 8.004 7.587 0.417 25142 302 1 1 . 1 1 54 54 LYS N N 54 121.266 121.266 120.834 0.432 25142 303 1 1 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.189 0.058 25142 304 1 1 . 1 1 54 54 LYS C C 54 179.996 179.996 178.809 1.187 25142 305 1 1 . 1 1 54 54 LYS CA C 54 60.004 60.004 58.762 1.242 25142 306 1 1 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.133 0.469 25142 307 1 1 . 1 1 54 54 LYS H H 54 8.527 8.527 7.545 0.982 25142 308 1 1 . 1 1 55 55 ILE N N 55 119.453 119.453 120.143 -0.690 25142 309 1 1 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.781 0.079 25142 310 1 1 . 1 1 55 55 ILE C C 55 177.548 177.548 177.784 -0.236 25142 311 1 1 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.802 -1.864 25142 312 1 1 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.921 0.302 25142 313 1 1 . 1 1 55 55 ILE H H 55 8.748 8.748 8.524 0.224 25142 314 1 1 . 1 1 56 56 TRP N N 56 122.220 122.220 120.810 1.410 25142 315 1 1 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.331 -0.424 25142 316 1 1 . 1 1 56 56 TRP C C 56 180.094 180.094 178.071 2.023 25142 317 1 1 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.237 2.701 25142 318 1 1 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.736 -0.366 25142 319 1 1 . 1 1 56 56 TRP H H 56 8.076 8.076 8.514 -0.438 25142 320 1 1 . 1 1 57 57 PHE N N 57 119.464 119.464 119.940 -0.476 25142 321 1 1 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.184 -0.324 25142 322 1 1 . 1 1 57 57 PHE C C 57 177.749 177.749 177.497 0.252 25142 323 1 1 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.823 2.115 25142 324 1 1 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.161 0.467 25142 325 1 1 . 1 1 57 57 PHE H H 57 8.859 8.859 7.536 1.323 25142 326 1 1 . 1 1 58 58 GLN N N 58 118.649 118.649 118.901 -0.252 25142 327 1 1 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.914 0.089 25142 328 1 1 . 1 1 58 58 GLN C C 58 178.888 178.888 178.253 0.635 25142 329 1 1 . 1 1 58 58 GLN CA C 58 59.301 59.301 58.872 0.429 25142 330 1 1 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.451 0.216 25142 331 1 1 . 1 1 58 58 GLN H H 58 8.240 8.240 8.319 -0.079 25142 332 1 1 . 1 1 59 59 ASN N N 59 118.104 118.104 118.433 -0.329 25142 333 1 1 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.300 0.017 25142 334 1 1 . 1 1 59 59 ASN C C 59 177.504 177.504 177.451 0.053 25142 335 1 1 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.045 0.165 25142 336 1 1 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.027 -0.226 25142 337 1 1 . 1 1 59 59 ASN H H 59 8.320 8.320 8.283 0.037 25142 338 1 1 . 1 1 60 60 ARG N N 60 122.957 122.957 119.430 3.527 25142 339 1 1 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.834 -0.438 25142 340 1 1 . 1 1 60 60 ARG C C 60 179.229 179.229 178.595 0.634 25142 341 1 1 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.844 -2.213 25142 342 1 1 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.490 -1.103 25142 343 1 1 . 1 1 60 60 ARG H H 60 8.113 8.113 7.553 0.560 25142 344 1 1 . 1 1 61 61 ARG N N 61 117.860 117.860 119.067 -1.207 25142 345 1 1 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.020 0.069 25142 346 1 1 . 1 1 61 61 ARG C C 61 178.883 178.883 178.461 0.422 25142 347 1 1 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.270 1.593 25142 348 1 1 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.810 1.105 25142 349 1 1 . 1 1 61 61 ARG H H 61 7.902 7.902 7.218 0.684 25142 350 1 1 . 1 1 62 62 MET N N 62 117.859 117.859 118.065 -0.206 25142 351 1 1 . 1 1 62 62 MET HA H 62 4.263 4.263 4.004 0.259 25142 352 1 1 . 1 1 62 62 MET C C 62 177.644 177.644 178.650 -1.006 25142 353 1 1 . 1 1 62 62 MET CA C 62 57.474 57.474 59.050 -1.576 25142 354 1 1 . 1 1 62 62 MET CB C 62 30.494 30.494 32.226 -1.732 25142 355 1 1 . 1 1 62 62 MET H H 62 7.535 7.535 7.872 -0.338 25142 356 1 1 . 1 1 63 63 LYS N N 63 118.415 118.415 117.847 0.568 25142 357 1 1 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.008 0.124 25142 358 1 1 . 1 1 63 63 LYS C C 63 177.090 177.090 179.287 -2.197 25142 359 1 1 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.683 -1.068 25142 360 1 1 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.903 1.121 25142 361 1 1 . 1 1 63 63 LYS H H 63 7.426 7.426 7.605 -0.179 25142 362 1 1 . 1 1 64 64 MET N N 64 117.987 117.987 117.477 0.510 25142 363 1 1 . 1 1 64 64 MET HA H 64 4.271 4.271 4.358 -0.087 25142 364 1 1 . 1 1 64 64 MET C C 64 176.223 176.223 177.517 -1.294 25142 365 1 1 . 1 1 64 64 MET CA C 64 57.632 57.632 57.712 -0.081 25142 366 1 1 . 1 1 64 64 MET H H 64 7.538 7.538 7.509 0.029 25142 367 1 1 . 1 1 65 65 LYS N N 65 120.643 120.643 117.675 2.968 25142 368 1 1 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.275 0.024 25142 369 1 1 . 1 1 65 65 LYS C C 65 175.950 175.950 177.172 -1.222 25142 370 1 1 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.440 1.192 25142 371 1 1 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.062 0.962 25142 372 1 1 . 1 1 65 65 LYS H H 65 7.930 7.930 7.710 0.220 25142 373 1 1 . 1 1 66 66 LYS N N 66 122.089 122.089 118.430 3.659 25142 374 1 1 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.500 -0.229 25142 375 1 1 . 1 1 66 66 LYS C C 66 176.302 176.302 176.767 -0.465 25142 376 1 1 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.933 1.558 25142 377 1 1 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.616 0.004 25142 378 1 1 . 1 1 66 66 LYS H H 66 8.172 8.172 7.369 0.803 25142 379 1 1 . 1 1 67 67 MET N N 67 119.918 119.918 116.613 3.305 25142 380 1 1 . 1 1 67 67 MET HA H 67 4.765 4.765 4.339 0.426 25142 381 1 1 . 1 1 67 67 MET C C 67 175.047 175.047 176.470 -1.423 25142 382 1 1 . 1 1 67 67 MET H H 67 8.056 8.056 7.704 0.352 25142 383 1 2 . 1 1 2 2 ASN N N 2 125.670 125.670 115.681 9.989 25142 384 1 2 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.595 -0.458 25142 385 1 2 . 1 1 2 2 ASN C C 2 170.976 170.976 174.970 -3.994 25142 386 1 2 . 1 1 2 2 ASN CA C 2 53.812 53.812 53.853 -0.041 25142 387 1 2 . 1 1 2 2 ASN CB C 2 38.888 38.888 39.534 -0.646 25142 388 1 2 . 1 1 2 2 ASN H H 2 7.926 7.926 8.106 -0.180 25142 389 1 2 . 1 1 3 3 TRP N N 3 122.562 122.562 119.468 3.094 25142 390 1 2 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.864 -0.102 25142 391 1 2 . 1 1 3 3 TRP C C 3 176.062 176.062 175.192 0.870 25142 392 1 2 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.809 0.161 25142 393 1 2 . 1 1 3 3 TRP CB C 3 29.629 29.629 28.976 0.653 25142 394 1 2 . 1 1 3 3 TRP H H 3 7.920 7.920 8.125 -0.205 25142 395 1 2 . 1 1 4 4 ILE N N 4 122.339 122.339 118.905 3.434 25142 396 1 2 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.792 0.379 25142 397 1 2 . 1 1 4 4 ILE C C 4 175.825 175.825 176.260 -0.435 25142 398 1 2 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.616 -1.207 25142 399 1 2 . 1 1 4 4 ILE CB C 4 38.645 38.645 38.434 0.211 25142 400 1 2 . 1 1 4 4 ILE H H 4 7.893 7.893 6.999 0.894 25142 401 1 2 . 1 1 5 5 HIS N N 5 122.699 122.699 114.439 8.260 25142 402 1 2 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.622 -0.094 25142 403 1 2 . 1 1 5 5 HIS C C 5 175.039 175.039 174.715 0.324 25142 404 1 2 . 1 1 5 5 HIS CA C 5 56.069 56.069 55.108 0.961 25142 405 1 2 . 1 1 5 5 HIS CB C 5 30.634 30.634 30.557 0.077 25142 406 1 2 . 1 1 5 5 HIS H H 5 8.015 8.015 7.562 0.453 25142 407 1 2 . 1 1 6 6 ALA N N 6 125.335 125.335 123.720 1.615 25142 408 1 2 . 1 1 6 6 ALA HA H 6 4.268 4.268 3.828 0.440 25142 409 1 2 . 1 1 6 6 ALA C C 6 177.735 177.735 176.332 1.403 25142 410 1 2 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.851 -0.154 25142 411 1 2 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.850 0.403 25142 412 1 2 . 1 1 6 6 ALA H H 6 8.183 8.183 7.723 0.460 25142 413 1 2 . 1 1 7 7 ARG N N 7 120.137 120.137 119.797 0.340 25142 414 1 2 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.584 -0.293 25142 415 1 2 . 1 1 7 7 ARG C C 7 176.556 176.556 175.538 1.018 25142 416 1 2 . 1 1 7 7 ARG CA C 7 56.226 56.226 54.886 1.340 25142 417 1 2 . 1 1 7 7 ARG CB C 7 30.933 30.933 32.903 -1.970 25142 418 1 2 . 1 1 7 7 ARG H H 7 8.399 8.399 8.407 -0.008 25142 419 1 2 . 1 1 9 9 THR N N 9 115.696 115.696 116.723 -1.027 25142 420 1 2 . 1 1 9 9 THR HA H 9 4.311 4.311 4.606 -0.295 25142 421 1 2 . 1 1 9 9 THR C C 9 174.493 174.493 174.352 0.141 25142 422 1 2 . 1 1 9 9 THR CA C 9 61.970 61.970 61.051 0.919 25142 423 1 2 . 1 1 9 9 THR CB C 9 69.840 69.840 70.745 -0.905 25142 424 1 2 . 1 1 9 9 THR H H 9 8.081 8.081 8.513 -0.432 25142 425 1 2 . 1 1 10 10 ARG N N 10 123.599 123.599 125.474 -1.875 25142 426 1 2 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.468 -0.155 25142 427 1 2 . 1 1 10 10 ARG C C 10 176.173 176.173 175.534 0.639 25142 428 1 2 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.148 0.079 25142 429 1 2 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.126 0.807 25142 430 1 2 . 1 1 10 10 ARG H H 10 8.275 8.275 8.658 -0.383 25142 431 1 2 . 1 1 11 11 LYS N N 11 123.132 123.132 126.154 -3.022 25142 432 1 2 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.631 -0.333 25142 433 1 2 . 1 1 11 11 LYS CA C 11 56.648 56.648 55.784 0.864 25142 434 1 2 . 1 1 11 11 LYS CB C 11 33.181 33.181 34.308 -1.127 25142 435 1 2 . 1 1 11 11 LYS H H 11 8.334 8.334 8.448 -0.114 25142 436 1 2 . 1 1 12 12 LYS N N 12 123.229 123.229 122.262 0.967 25142 437 1 2 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.524 -0.270 25142 438 1 2 . 1 1 12 12 LYS C C 12 176.124 176.124 176.383 -0.259 25142 439 1 2 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.502 1.129 25142 440 1 2 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.448 -0.284 25142 441 1 2 . 1 1 12 12 LYS H H 12 8.357 8.357 8.572 -0.215 25142 442 1 2 . 1 1 13 13 ARG N N 13 123.166 123.166 121.874 1.292 25142 443 1 2 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.515 -0.198 25142 444 1 2 . 1 1 13 13 ARG C C 13 175.831 175.831 175.061 0.770 25142 445 1 2 . 1 1 13 13 ARG CA C 13 56.210 56.210 56.220 -0.010 25142 446 1 2 . 1 1 13 13 ARG CB C 13 30.073 30.073 29.074 0.999 25142 447 1 2 . 1 1 13 13 ARG H H 13 8.439 8.439 8.600 -0.161 25142 448 1 2 . 1 1 14 14 CYS N N 14 123.412 123.412 123.606 -0.194 25142 449 1 2 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.654 -0.040 25142 450 1 2 . 1 1 14 14 CYS CA C 14 56.771 56.771 60.065 -3.294 25142 451 1 2 . 1 1 14 14 CYS H H 14 8.542 8.542 8.917 -0.375 25142 452 1 2 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.391 -0.058 25142 453 1 2 . 1 1 15 15 PRO C C 15 175.713 175.713 176.718 -1.005 25142 454 1 2 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.828 -0.029 25142 455 1 2 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.764 0.277 25142 456 1 2 . 1 1 16 16 TYR N N 16 116.961 116.961 119.740 -2.779 25142 457 1 2 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.431 0.494 25142 458 1 2 . 1 1 16 16 TYR C C 16 176.803 176.803 175.690 1.113 25142 459 1 2 . 1 1 16 16 TYR CA C 16 56.583 56.583 58.850 -2.267 25142 460 1 2 . 1 1 16 16 TYR CB C 16 40.045 40.045 39.164 0.881 25142 461 1 2 . 1 1 16 16 TYR H H 16 7.539 7.539 7.945 -0.406 25142 462 1 2 . 1 1 17 17 THR N N 17 115.107 115.107 116.509 -1.402 25142 463 1 2 . 1 1 17 17 THR HA H 17 4.469 4.469 4.556 -0.087 25142 464 1 2 . 1 1 17 17 THR C C 17 175.593 175.593 175.374 0.219 25142 465 1 2 . 1 1 17 17 THR CA C 17 60.987 60.987 60.144 0.843 25142 466 1 2 . 1 1 17 17 THR CB C 17 71.240 71.240 70.575 0.665 25142 467 1 2 . 1 1 17 17 THR H H 17 9.305 9.305 8.230 1.075 25142 468 1 2 . 1 1 18 18 LYS N N 18 123.297 123.297 122.320 0.977 25142 469 1 2 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.084 0.007 25142 470 1 2 . 1 1 18 18 LYS C C 18 178.363 178.363 178.502 -0.139 25142 471 1 2 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.629 0.375 25142 472 1 2 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.136 -0.096 25142 473 1 2 . 1 1 18 18 LYS H H 18 8.990 8.990 8.934 0.056 25142 474 1 2 . 1 1 19 19 TYR N N 19 118.372 118.372 120.949 -2.577 25142 475 1 2 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.104 0.067 25142 476 1 2 . 1 1 19 19 TYR C C 19 176.959 176.959 177.276 -0.317 25142 477 1 2 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.631 -1.222 25142 478 1 2 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.295 0.507 25142 479 1 2 . 1 1 19 19 TYR H H 19 8.334 8.334 7.745 0.589 25142 480 1 2 . 1 1 20 20 GLN N N 20 116.238 116.238 116.973 -0.735 25142 481 1 2 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.941 -0.405 25142 482 1 2 . 1 1 20 20 GLN C C 20 177.491 177.491 178.452 -0.961 25142 483 1 2 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.684 -0.383 25142 484 1 2 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.148 -0.042 25142 485 1 2 . 1 1 20 20 GLN H H 20 7.771 7.771 8.544 -0.773 25142 486 1 2 . 1 1 21 21 THR N N 21 112.943 112.943 114.686 -1.743 25142 487 1 2 . 1 1 21 21 THR HA H 21 3.401 3.401 4.102 -0.701 25142 488 1 2 . 1 1 21 21 THR C C 21 175.530 175.530 176.535 -1.005 25142 489 1 2 . 1 1 21 21 THR CA C 21 67.451 67.451 65.473 1.978 25142 490 1 2 . 1 1 21 21 THR CB C 21 68.856 68.856 68.761 0.095 25142 491 1 2 . 1 1 21 21 THR H H 21 8.468 8.468 7.825 0.643 25142 492 1 2 . 1 1 22 22 LEU N N 22 121.513 121.513 122.428 -0.915 25142 493 1 2 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.333 -0.354 25142 494 1 2 . 1 1 22 22 LEU C C 22 180.452 180.452 178.210 2.242 25142 495 1 2 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.955 0.081 25142 496 1 2 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.534 0.343 25142 497 1 2 . 1 1 22 22 LEU H H 22 8.054 8.054 7.458 0.596 25142 498 1 2 . 1 1 23 23 GLU N N 23 118.464 118.464 118.136 0.328 25142 499 1 2 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.106 -0.270 25142 500 1 2 . 1 1 23 23 GLU C C 23 179.824 179.824 179.446 0.378 25142 501 1 2 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.473 0.125 25142 502 1 2 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.414 1.518 25142 503 1 2 . 1 1 23 23 GLU H H 23 7.732 7.732 7.663 0.069 25142 504 1 2 . 1 1 24 24 LEU N N 24 124.210 124.210 119.428 4.782 25142 505 1 2 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.194 -0.682 25142 506 1 2 . 1 1 24 24 LEU C C 24 177.592 177.592 178.472 -0.880 25142 507 1 2 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.768 0.690 25142 508 1 2 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.053 -4.534 25142 509 1 2 . 1 1 24 24 LEU H H 24 8.335 8.335 7.777 0.558 25142 510 1 2 . 1 1 25 25 GLU N N 25 119.137 119.137 116.919 2.218 25142 511 1 2 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.269 -0.022 25142 512 1 2 . 1 1 25 25 GLU C C 25 179.021 179.021 179.067 -0.046 25142 513 1 2 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.610 1.393 25142 514 1 2 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.387 -0.719 25142 515 1 2 . 1 1 25 25 GLU H H 25 7.912 7.912 8.175 -0.263 25142 516 1 2 . 1 1 26 26 LYS N N 26 118.579 118.579 119.610 -1.031 25142 517 1 2 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.276 -0.359 25142 518 1 2 . 1 1 26 26 LYS C C 26 179.351 179.351 178.627 0.724 25142 519 1 2 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.298 1.705 25142 520 1 2 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.414 0.188 25142 521 1 2 . 1 1 26 26 LYS H H 26 7.537 7.537 7.457 0.080 25142 522 1 2 . 1 1 27 27 GLU N N 27 120.048 120.048 120.687 -0.639 25142 523 1 2 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.061 0.084 25142 524 1 2 . 1 1 27 27 GLU C C 27 178.189 178.189 177.789 0.400 25142 525 1 2 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.043 0.977 25142 526 1 2 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.829 -0.302 25142 527 1 2 . 1 1 27 27 GLU H H 27 7.849 7.849 7.817 0.032 25142 528 1 2 . 1 1 28 28 PHE N N 28 122.074 122.074 120.525 1.549 25142 529 1 2 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.035 0.323 25142 530 1 2 . 1 1 28 28 PHE C C 28 176.148 176.148 176.820 -0.672 25142 531 1 2 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.175 1.655 25142 532 1 2 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.876 0.471 25142 533 1 2 . 1 1 28 28 PHE H H 28 8.893 8.893 7.511 1.382 25142 534 1 2 . 1 1 29 29 LEU N N 29 115.649 115.649 119.428 -3.779 25142 535 1 2 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.701 0.262 25142 536 1 2 . 1 1 29 29 LEU C C 29 179.362 179.362 177.844 1.518 25142 537 1 2 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.963 -0.613 25142 538 1 2 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.013 0.743 25142 539 1 2 . 1 1 29 29 LEU H H 29 7.919 7.919 7.616 0.303 25142 540 1 2 . 1 1 30 30 PHE N N 30 119.314 119.314 117.857 1.457 25142 541 1 2 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.113 0.332 25142 542 1 2 . 1 1 30 30 PHE C C 30 176.451 176.451 176.270 0.181 25142 543 1 2 . 1 1 30 30 PHE CA C 30 59.582 59.582 59.061 0.521 25142 544 1 2 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.678 0.949 25142 545 1 2 . 1 1 30 30 PHE H H 30 7.584 7.584 7.874 -0.290 25142 546 1 2 . 1 1 31 31 ASN N N 31 116.457 116.457 118.512 -2.055 25142 547 1 2 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.195 0.397 25142 548 1 2 . 1 1 31 31 ASN C C 31 173.302 173.302 176.238 -2.936 25142 549 1 2 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.239 -1.278 25142 550 1 2 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.403 0.944 25142 551 1 2 . 1 1 31 31 ASN H H 31 8.375 8.375 7.933 0.442 25142 552 1 2 . 1 1 32 32 MET N N 32 121.247 121.247 115.201 6.046 25142 553 1 2 . 1 1 32 32 MET HA H 32 3.761 3.761 4.512 -0.751 25142 554 1 2 . 1 1 32 32 MET C C 32 174.112 174.112 176.285 -2.173 25142 555 1 2 . 1 1 32 32 MET CA C 32 57.474 57.474 56.531 0.943 25142 556 1 2 . 1 1 32 32 MET CB C 32 33.586 33.586 34.529 -0.943 25142 557 1 2 . 1 1 32 32 MET H H 32 8.185 8.185 7.576 0.609 25142 558 1 2 . 1 1 33 33 TYR N N 33 115.333 115.333 116.324 -0.991 25142 559 1 2 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.574 0.103 25142 560 1 2 . 1 1 33 33 TYR C C 33 175.017 175.017 173.098 1.919 25142 561 1 2 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.464 -0.271 25142 562 1 2 . 1 1 33 33 TYR CB C 33 40.190 40.190 39.952 0.238 25142 563 1 2 . 1 1 33 33 TYR H H 33 7.758 7.758 7.457 0.301 25142 564 1 2 . 1 1 34 34 LEU N N 34 122.393 122.393 121.907 0.486 25142 565 1 2 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.560 0.032 25142 566 1 2 . 1 1 34 34 LEU C C 34 178.373 178.373 175.479 2.894 25142 567 1 2 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.356 -0.395 25142 568 1 2 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.513 -1.669 25142 569 1 2 . 1 1 34 34 LEU H H 34 8.293 8.293 8.366 -0.073 25142 570 1 2 . 1 1 35 35 THR N N 35 113.078 113.078 116.620 -3.542 25142 571 1 2 . 1 1 35 35 THR HA H 35 4.445 4.445 4.741 -0.296 25142 572 1 2 . 1 1 35 35 THR C C 35 175.115 175.115 175.386 -0.271 25142 573 1 2 . 1 1 35 35 THR CA C 35 59.582 59.582 60.218 -0.636 25142 574 1 2 . 1 1 35 35 THR CB C 35 70.823 70.823 70.500 0.323 25142 575 1 2 . 1 1 35 35 THR H H 35 7.729 7.729 8.216 -0.487 25142 576 1 2 . 1 1 36 36 ARG N N 36 122.118 122.118 125.371 -3.253 25142 577 1 2 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.112 -0.283 25142 578 1 2 . 1 1 36 36 ARG C C 36 178.596 178.596 177.482 1.114 25142 579 1 2 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.052 1.092 25142 580 1 2 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.395 -1.306 25142 581 1 2 . 1 1 36 36 ARG H H 36 8.951 8.951 8.863 0.088 25142 582 1 2 . 1 1 37 37 ASP N N 37 116.410 116.410 119.425 -3.015 25142 583 1 2 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.408 0.018 25142 584 1 2 . 1 1 37 37 ASP C C 37 178.603 178.603 178.789 -0.186 25142 585 1 2 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.042 -0.287 25142 586 1 2 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.379 -0.189 25142 587 1 2 . 1 1 37 37 ASP H H 37 8.454 8.454 7.926 0.528 25142 588 1 2 . 1 1 38 38 ARG N N 38 121.073 121.073 119.522 1.551 25142 589 1 2 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.331 -0.114 25142 590 1 2 . 1 1 38 38 ARG C C 38 177.751 177.751 178.549 -0.798 25142 591 1 2 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.615 -1.001 25142 592 1 2 . 1 1 38 38 ARG CB C 38 29.932 29.932 29.915 0.017 25142 593 1 2 . 1 1 38 38 ARG H H 38 7.795 7.795 7.599 0.196 25142 594 1 2 . 1 1 39 39 ARG N N 39 119.603 119.603 118.905 0.698 25142 595 1 2 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.030 -0.356 25142 596 1 2 . 1 1 39 39 ARG C C 39 177.405 177.405 179.238 -1.833 25142 597 1 2 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.552 0.733 25142 598 1 2 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.019 0.054 25142 599 1 2 . 1 1 39 39 ARG H H 39 8.650 8.650 7.604 1.046 25142 600 1 2 . 1 1 40 40 TYR N N 40 116.995 116.995 120.666 -3.671 25142 601 1 2 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.178 -0.107 25142 602 1 2 . 1 1 40 40 TYR C C 40 177.632 177.632 176.998 0.634 25142 603 1 2 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.649 1.743 25142 604 1 2 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.665 -0.864 25142 605 1 2 . 1 1 40 40 TYR H H 40 7.893 7.893 8.231 -0.338 25142 606 1 2 . 1 1 41 41 GLU N N 41 120.324 120.324 118.666 1.658 25142 607 1 2 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.744 0.395 25142 608 1 2 . 1 1 41 41 GLU C C 41 178.263 178.263 179.102 -0.839 25142 609 1 2 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.320 -1.284 25142 610 1 2 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.427 0.646 25142 611 1 2 . 1 1 41 41 GLU H H 41 7.687 7.687 8.036 -0.349 25142 612 1 2 . 1 1 42 42 VAL N N 42 120.030 120.030 114.799 5.231 25142 613 1 2 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.071 -0.550 25142 614 1 2 . 1 1 42 42 VAL C C 42 177.248 177.248 177.405 -0.157 25142 615 1 2 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.879 1.307 25142 616 1 2 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.775 0.827 25142 617 1 2 . 1 1 42 42 VAL H H 42 8.675 8.675 8.425 0.250 25142 618 1 2 . 1 1 43 43 ALA N N 43 119.887 119.887 122.144 -2.257 25142 619 1 2 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.138 -0.570 25142 620 1 2 . 1 1 43 43 ALA C C 43 179.037 179.037 179.128 -0.091 25142 621 1 2 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.393 1.676 25142 622 1 2 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.599 -1.173 25142 623 1 2 . 1 1 43 43 ALA H H 43 8.026 8.026 7.170 0.856 25142 624 1 2 . 1 1 44 44 ARG N N 44 116.238 116.238 117.749 -1.511 25142 625 1 2 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.023 -0.022 25142 626 1 2 . 1 1 44 44 ARG C C 44 180.290 180.290 178.486 1.804 25142 627 1 2 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.946 0.355 25142 628 1 2 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.474 -0.401 25142 629 1 2 . 1 1 44 44 ARG H H 44 7.771 7.771 7.607 0.164 25142 630 1 2 . 1 1 45 45 VAL N N 45 118.391 118.391 114.754 3.637 25142 631 1 2 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.080 -0.270 25142 632 1 2 . 1 1 45 45 VAL C C 45 177.986 177.986 176.975 1.011 25142 633 1 2 . 1 1 45 45 VAL CA C 45 65.203 65.203 65.010 0.193 25142 634 1 2 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.280 0.322 25142 635 1 2 . 1 1 45 45 VAL H H 45 8.250 8.250 7.465 0.785 25142 636 1 2 . 1 1 46 46 LEU N N 46 116.008 116.008 121.197 -5.189 25142 637 1 2 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.451 0.056 25142 638 1 2 . 1 1 46 46 LEU C C 46 176.657 176.657 176.611 0.046 25142 639 1 2 . 1 1 46 46 LEU CA C 46 54.664 54.664 55.044 -0.380 25142 640 1 2 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.561 -0.386 25142 641 1 2 . 1 1 46 46 LEU H H 46 7.896 7.896 7.790 0.106 25142 642 1 2 . 1 1 47 47 ASN N N 47 117.881 117.881 112.916 4.965 25142 643 1 2 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.293 0.148 25142 644 1 2 . 1 1 47 47 ASN C C 47 173.788 173.788 174.344 -0.556 25142 645 1 2 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.511 0.293 25142 646 1 2 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.114 0.704 25142 647 1 2 . 1 1 47 47 ASN H H 47 7.992 7.992 7.881 0.111 25142 648 1 2 . 1 1 48 48 LEU N N 48 119.211 119.211 116.721 2.490 25142 649 1 2 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.633 0.244 25142 650 1 2 . 1 1 48 48 LEU C C 48 176.505 176.505 175.997 0.508 25142 651 1 2 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.725 0.107 25142 652 1 2 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.181 3.738 25142 653 1 2 . 1 1 48 48 LEU H H 48 8.517 8.517 8.040 0.477 25142 654 1 2 . 1 1 49 49 THR N N 49 109.223 109.223 114.062 -4.839 25142 655 1 2 . 1 1 49 49 THR HA H 49 4.648 4.648 4.612 0.036 25142 656 1 2 . 1 1 49 49 THR C C 49 176.663 176.663 175.415 1.248 25142 657 1 2 . 1 1 49 49 THR CA C 49 60.566 60.566 60.899 -0.333 25142 658 1 2 . 1 1 49 49 THR CB C 49 70.824 70.824 70.752 0.071 25142 659 1 2 . 1 1 49 49 THR H H 49 8.694 8.694 8.282 0.412 25142 660 1 2 . 1 1 50 50 GLU N N 50 121.200 121.200 124.033 -2.833 25142 661 1 2 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.055 -0.402 25142 662 1 2 . 1 1 50 50 GLU C C 50 178.500 178.500 178.631 -0.131 25142 663 1 2 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.577 0.410 25142 664 1 2 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.563 0.369 25142 665 1 2 . 1 1 50 50 GLU H H 50 9.184 9.184 9.004 0.180 25142 666 1 2 . 1 1 51 51 ARG N N 51 119.168 119.168 117.646 1.522 25142 667 1 2 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.233 -0.230 25142 668 1 2 . 1 1 51 51 ARG C C 51 177.979 177.979 178.446 -0.467 25142 669 1 2 . 1 1 51 51 ARG CA C 51 59.301 59.301 59.281 0.020 25142 670 1 2 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.820 0.253 25142 671 1 2 . 1 1 51 51 ARG H H 51 8.220 8.220 8.326 -0.106 25142 672 1 2 . 1 1 52 52 GLN N N 52 117.548 117.548 120.652 -3.104 25142 673 1 2 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.168 -0.079 25142 674 1 2 . 1 1 52 52 GLN C C 52 180.689 180.689 178.056 2.633 25142 675 1 2 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.442 0.421 25142 676 1 2 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.209 2.004 25142 677 1 2 . 1 1 52 52 GLN H H 52 8.029 8.029 8.261 -0.232 25142 678 1 2 . 1 1 53 53 VAL N N 53 121.408 121.408 118.767 2.641 25142 679 1 2 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.768 0.045 25142 680 1 2 . 1 1 53 53 VAL C C 53 176.662 176.662 177.622 -0.960 25142 681 1 2 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.731 2.424 25142 682 1 2 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.648 0.954 25142 683 1 2 . 1 1 53 53 VAL H H 53 8.004 8.004 8.172 -0.168 25142 684 1 2 . 1 1 54 54 LYS N N 54 121.266 121.266 120.266 1.000 25142 685 1 2 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.954 0.293 25142 686 1 2 . 1 1 54 54 LYS C C 54 179.996 179.996 179.019 0.977 25142 687 1 2 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.570 0.434 25142 688 1 2 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.263 0.339 25142 689 1 2 . 1 1 54 54 LYS H H 54 8.527 8.527 7.285 1.242 25142 690 1 2 . 1 1 55 55 ILE N N 55 119.453 119.453 120.658 -1.205 25142 691 1 2 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.784 0.076 25142 692 1 2 . 1 1 55 55 ILE C C 55 177.548 177.548 178.248 -0.700 25142 693 1 2 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.361 -1.423 25142 694 1 2 . 1 1 55 55 ILE CB C 55 38.223 38.223 38.014 0.208 25142 695 1 2 . 1 1 55 55 ILE H H 55 8.748 8.748 8.337 0.411 25142 696 1 2 . 1 1 56 56 TRP N N 56 122.220 122.220 121.081 1.139 25142 697 1 2 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.216 -0.309 25142 698 1 2 . 1 1 56 56 TRP C C 56 180.094 180.094 178.190 1.904 25142 699 1 2 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.673 2.265 25142 700 1 2 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.624 -0.254 25142 701 1 2 . 1 1 56 56 TRP H H 56 8.076 8.076 8.227 -0.151 25142 702 1 2 . 1 1 57 57 PHE N N 57 119.464 119.464 118.860 0.604 25142 703 1 2 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.008 -0.148 25142 704 1 2 . 1 1 57 57 PHE C C 57 177.749 177.749 177.639 0.110 25142 705 1 2 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.712 2.225 25142 706 1 2 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.383 0.245 25142 707 1 2 . 1 1 57 57 PHE H H 57 8.859 8.859 7.980 0.879 25142 708 1 2 . 1 1 58 58 GLN N N 58 118.649 118.649 119.510 -0.861 25142 709 1 2 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.956 0.047 25142 710 1 2 . 1 1 58 58 GLN C C 58 178.888 178.888 178.244 0.644 25142 711 1 2 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.568 -0.267 25142 712 1 2 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.675 -0.008 25142 713 1 2 . 1 1 58 58 GLN H H 58 8.240 8.240 8.397 -0.157 25142 714 1 2 . 1 1 59 59 ASN N N 59 118.104 118.104 117.804 0.300 25142 715 1 2 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.298 0.019 25142 716 1 2 . 1 1 59 59 ASN C C 59 177.504 177.504 177.477 0.027 25142 717 1 2 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.503 -0.293 25142 718 1 2 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.142 -0.341 25142 719 1 2 . 1 1 59 59 ASN H H 59 8.320 8.320 7.915 0.405 25142 720 1 2 . 1 1 60 60 ARG N N 60 122.957 122.957 119.491 3.466 25142 721 1 2 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.752 -0.356 25142 722 1 2 . 1 1 60 60 ARG C C 60 179.229 179.229 178.339 0.890 25142 723 1 2 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.823 -2.192 25142 724 1 2 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.731 -1.344 25142 725 1 2 . 1 1 60 60 ARG H H 60 8.113 8.113 7.432 0.681 25142 726 1 2 . 1 1 61 61 ARG N N 61 117.860 117.860 118.429 -0.569 25142 727 1 2 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.179 -0.090 25142 728 1 2 . 1 1 61 61 ARG C C 61 178.883 178.883 179.045 -0.162 25142 729 1 2 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.225 1.638 25142 730 1 2 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.344 0.571 25142 731 1 2 . 1 1 61 61 ARG H H 61 7.902 7.902 7.778 0.124 25142 732 1 2 . 1 1 62 62 MET N N 62 117.859 117.859 118.047 -0.188 25142 733 1 2 . 1 1 62 62 MET HA H 62 4.263 4.263 4.177 0.086 25142 734 1 2 . 1 1 62 62 MET C C 62 177.644 177.644 177.747 -0.103 25142 735 1 2 . 1 1 62 62 MET CA C 62 57.474 57.474 58.818 -1.344 25142 736 1 2 . 1 1 62 62 MET CB C 62 30.494 30.494 32.089 -1.595 25142 737 1 2 . 1 1 62 62 MET H H 62 7.535 7.535 8.030 -0.495 25142 738 1 2 . 1 1 63 63 LYS N N 63 118.415 118.415 118.285 0.130 25142 739 1 2 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.988 0.144 25142 740 1 2 . 1 1 63 63 LYS C C 63 177.090 177.090 178.215 -1.125 25142 741 1 2 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.965 -1.350 25142 742 1 2 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.966 1.058 25142 743 1 2 . 1 1 63 63 LYS H H 63 7.426 7.426 8.249 -0.823 25142 744 1 2 . 1 1 64 64 MET N N 64 117.987 117.987 115.916 2.071 25142 745 1 2 . 1 1 64 64 MET HA H 64 4.271 4.271 4.479 -0.208 25142 746 1 2 . 1 1 64 64 MET C C 64 176.223 176.223 178.337 -2.114 25142 747 1 2 . 1 1 64 64 MET CA C 64 57.632 57.632 55.519 2.113 25142 748 1 2 . 1 1 64 64 MET H H 64 7.538 7.538 7.575 -0.037 25142 749 1 2 . 1 1 65 65 LYS N N 65 120.643 120.643 120.464 0.179 25142 750 1 2 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.141 0.158 25142 751 1 2 . 1 1 65 65 LYS C C 65 175.950 175.950 177.595 -1.645 25142 752 1 2 . 1 1 65 65 LYS CA C 65 57.632 57.632 58.068 -0.436 25142 753 1 2 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.898 1.126 25142 754 1 2 . 1 1 65 65 LYS H H 65 7.930 7.930 7.337 0.593 25142 755 1 2 . 1 1 66 66 LYS N N 66 122.089 122.089 117.418 4.671 25142 756 1 2 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.416 -0.145 25142 757 1 2 . 1 1 66 66 LYS C C 66 176.302 176.302 176.103 0.199 25142 758 1 2 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.703 1.788 25142 759 1 2 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.388 0.232 25142 760 1 2 . 1 1 66 66 LYS H H 66 8.172 8.172 7.603 0.569 25142 761 1 2 . 1 1 67 67 MET N N 67 119.918 119.918 114.387 5.531 25142 762 1 2 . 1 1 67 67 MET HA H 67 4.765 4.765 3.950 0.815 25142 763 1 2 . 1 1 67 67 MET C C 67 175.047 175.047 175.849 -0.802 25142 764 1 2 . 1 1 67 67 MET H H 67 8.056 8.056 7.750 0.306 25142 765 1 3 . 1 1 2 2 ASN N N 2 125.670 125.670 117.286 8.384 25142 766 1 3 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.526 -0.389 25142 767 1 3 . 1 1 2 2 ASN C C 2 170.976 170.976 175.063 -4.087 25142 768 1 3 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.461 2.351 25142 769 1 3 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.074 -1.186 25142 770 1 3 . 1 1 2 2 ASN H H 2 7.926 7.926 7.981 -0.055 25142 771 1 3 . 1 1 3 3 TRP N N 3 122.562 122.562 119.780 2.782 25142 772 1 3 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.824 -0.062 25142 773 1 3 . 1 1 3 3 TRP C C 3 176.062 176.062 177.243 -1.181 25142 774 1 3 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.985 -1.015 25142 775 1 3 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.958 -0.329 25142 776 1 3 . 1 1 3 3 TRP H H 3 7.920 7.920 8.609 -0.689 25142 777 1 3 . 1 1 4 4 ILE N N 4 122.339 122.339 111.341 10.998 25142 778 1 3 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.558 -0.387 25142 779 1 3 . 1 1 4 4 ILE C C 4 175.825 175.825 177.074 -1.249 25142 780 1 3 . 1 1 4 4 ILE CA C 4 61.409 61.409 61.361 0.048 25142 781 1 3 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.899 0.746 25142 782 1 3 . 1 1 4 4 ILE H H 4 7.893 7.893 7.657 0.236 25142 783 1 3 . 1 1 5 5 HIS N N 5 122.699 122.699 123.519 -0.820 25142 784 1 3 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.473 0.055 25142 785 1 3 . 1 1 5 5 HIS C C 5 175.039 175.039 175.243 -0.204 25142 786 1 3 . 1 1 5 5 HIS CA C 5 56.069 56.069 58.031 -1.962 25142 787 1 3 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.990 0.644 25142 788 1 3 . 1 1 5 5 HIS H H 5 8.015 8.015 8.085 -0.070 25142 789 1 3 . 1 1 6 6 ALA N N 6 125.335 125.335 119.750 5.585 25142 790 1 3 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.087 0.181 25142 791 1 3 . 1 1 6 6 ALA C C 6 177.735 177.735 176.367 1.368 25142 792 1 3 . 1 1 6 6 ALA CA C 6 52.697 52.697 53.147 -0.450 25142 793 1 3 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.692 0.561 25142 794 1 3 . 1 1 6 6 ALA H H 6 8.183 8.183 8.059 0.124 25142 795 1 3 . 1 1 7 7 ARG N N 7 120.137 120.137 120.496 -0.359 25142 796 1 3 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.256 0.035 25142 797 1 3 . 1 1 7 7 ARG C C 7 176.556 176.556 176.475 0.081 25142 798 1 3 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.900 0.326 25142 799 1 3 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.198 0.735 25142 800 1 3 . 1 1 7 7 ARG H H 7 8.399 8.399 8.427 -0.028 25142 801 1 3 . 1 1 9 9 THR N N 9 115.696 115.696 116.854 -1.158 25142 802 1 3 . 1 1 9 9 THR HA H 9 4.311 4.311 4.251 0.060 25142 803 1 3 . 1 1 9 9 THR C C 9 174.493 174.493 174.195 0.298 25142 804 1 3 . 1 1 9 9 THR CA C 9 61.970 61.970 62.322 -0.352 25142 805 1 3 . 1 1 9 9 THR CB C 9 69.840 69.840 69.319 0.521 25142 806 1 3 . 1 1 9 9 THR H H 9 8.081 8.081 7.607 0.474 25142 807 1 3 . 1 1 10 10 ARG N N 10 123.599 123.599 124.905 -1.306 25142 808 1 3 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.606 -0.293 25142 809 1 3 . 1 1 10 10 ARG C C 10 176.173 176.173 175.592 0.581 25142 810 1 3 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.134 1.093 25142 811 1 3 . 1 1 10 10 ARG CB C 10 30.933 30.933 29.900 1.033 25142 812 1 3 . 1 1 10 10 ARG H H 10 8.275 8.275 8.416 -0.141 25142 813 1 3 . 1 1 11 11 LYS N N 11 123.132 123.132 123.061 0.071 25142 814 1 3 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.547 -0.249 25142 815 1 3 . 1 1 11 11 LYS CA C 11 56.648 56.648 55.164 1.484 25142 816 1 3 . 1 1 11 11 LYS CB C 11 33.181 33.181 33.895 -0.714 25142 817 1 3 . 1 1 11 11 LYS H H 11 8.334 8.334 8.284 0.050 25142 818 1 3 . 1 1 12 12 LYS N N 12 123.229 123.229 121.757 1.472 25142 819 1 3 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.114 0.140 25142 820 1 3 . 1 1 12 12 LYS C C 12 176.124 176.124 175.445 0.679 25142 821 1 3 . 1 1 12 12 LYS CA C 12 56.631 56.631 57.189 -0.558 25142 822 1 3 . 1 1 12 12 LYS CB C 12 33.164 33.164 32.695 0.469 25142 823 1 3 . 1 1 12 12 LYS H H 12 8.357 8.357 8.564 -0.207 25142 824 1 3 . 1 1 13 13 ARG N N 13 123.166 123.166 122.885 0.281 25142 825 1 3 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.745 -0.428 25142 826 1 3 . 1 1 13 13 ARG C C 13 175.831 175.831 175.810 0.021 25142 827 1 3 . 1 1 13 13 ARG CA C 13 56.210 56.210 56.518 -0.308 25142 828 1 3 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.762 -0.689 25142 829 1 3 . 1 1 13 13 ARG H H 13 8.439 8.439 8.568 -0.129 25142 830 1 3 . 1 1 14 14 CYS N N 14 123.412 123.412 120.786 2.626 25142 831 1 3 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.813 -0.199 25142 832 1 3 . 1 1 14 14 CYS CA C 14 56.771 56.771 58.831 -2.060 25142 833 1 3 . 1 1 14 14 CYS H H 14 8.542 8.542 8.124 0.418 25142 834 1 3 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.373 -0.040 25142 835 1 3 . 1 1 15 15 PRO C C 15 175.713 175.713 176.211 -0.498 25142 836 1 3 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.305 0.493 25142 837 1 3 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.485 0.555 25142 838 1 3 . 1 1 16 16 TYR N N 16 116.961 116.961 118.409 -1.448 25142 839 1 3 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.600 0.325 25142 840 1 3 . 1 1 16 16 TYR C C 16 176.803 176.803 177.105 -0.302 25142 841 1 3 . 1 1 16 16 TYR CA C 16 56.583 56.583 58.125 -1.542 25142 842 1 3 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.260 1.785 25142 843 1 3 . 1 1 16 16 TYR H H 16 7.539 7.539 7.896 -0.357 25142 844 1 3 . 1 1 17 17 THR N N 17 115.107 115.107 118.184 -3.077 25142 845 1 3 . 1 1 17 17 THR HA H 17 4.469 4.469 4.676 -0.207 25142 846 1 3 . 1 1 17 17 THR C C 17 175.593 175.593 175.153 0.440 25142 847 1 3 . 1 1 17 17 THR CA C 17 60.987 60.987 60.038 0.949 25142 848 1 3 . 1 1 17 17 THR CB C 17 71.240 71.240 70.697 0.543 25142 849 1 3 . 1 1 17 17 THR H H 17 9.305 9.305 8.058 1.247 25142 850 1 3 . 1 1 18 18 LYS N N 18 123.297 123.297 121.072 2.225 25142 851 1 3 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.125 -0.034 25142 852 1 3 . 1 1 18 18 LYS C C 18 178.363 178.363 178.379 -0.016 25142 853 1 3 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.251 0.753 25142 854 1 3 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.071 -0.031 25142 855 1 3 . 1 1 18 18 LYS H H 18 8.990 8.990 8.961 0.029 25142 856 1 3 . 1 1 19 19 TYR N N 19 118.372 118.372 119.420 -1.048 25142 857 1 3 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.076 0.095 25142 858 1 3 . 1 1 19 19 TYR C C 19 176.959 176.959 177.171 -0.212 25142 859 1 3 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.232 -0.823 25142 860 1 3 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.547 0.255 25142 861 1 3 . 1 1 19 19 TYR H H 19 8.334 8.334 7.665 0.669 25142 862 1 3 . 1 1 20 20 GLN N N 20 116.238 116.238 117.443 -1.205 25142 863 1 3 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.933 -0.397 25142 864 1 3 . 1 1 20 20 GLN C C 20 177.491 177.491 177.881 -0.390 25142 865 1 3 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.367 -0.066 25142 866 1 3 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.153 -0.048 25142 867 1 3 . 1 1 20 20 GLN H H 20 7.771 7.771 8.428 -0.657 25142 868 1 3 . 1 1 21 21 THR N N 21 112.943 112.943 114.816 -1.873 25142 869 1 3 . 1 1 21 21 THR HA H 21 3.401 3.401 4.258 -0.857 25142 870 1 3 . 1 1 21 21 THR C C 21 175.530 175.530 176.487 -0.957 25142 871 1 3 . 1 1 21 21 THR CA C 21 67.451 67.451 65.183 2.268 25142 872 1 3 . 1 1 21 21 THR CB C 21 68.856 68.856 68.935 -0.079 25142 873 1 3 . 1 1 21 21 THR H H 21 8.468 8.468 7.805 0.663 25142 874 1 3 . 1 1 22 22 LEU N N 22 121.513 121.513 123.200 -1.687 25142 875 1 3 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.406 -0.427 25142 876 1 3 . 1 1 22 22 LEU C C 22 180.452 180.452 178.406 2.046 25142 877 1 3 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.794 0.242 25142 878 1 3 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.504 0.373 25142 879 1 3 . 1 1 22 22 LEU H H 22 8.054 8.054 7.563 0.491 25142 880 1 3 . 1 1 23 23 GLU N N 23 118.464 118.464 118.372 0.092 25142 881 1 3 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.139 -0.303 25142 882 1 3 . 1 1 23 23 GLU C C 23 179.824 179.824 179.460 0.364 25142 883 1 3 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.737 -0.140 25142 884 1 3 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.362 1.570 25142 885 1 3 . 1 1 23 23 GLU H H 23 7.732 7.732 7.824 -0.092 25142 886 1 3 . 1 1 24 24 LEU N N 24 124.210 124.210 119.586 4.624 25142 887 1 3 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.031 -0.519 25142 888 1 3 . 1 1 24 24 LEU C C 24 177.592 177.592 179.014 -1.422 25142 889 1 3 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.684 0.774 25142 890 1 3 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.010 -4.489 25142 891 1 3 . 1 1 24 24 LEU H H 24 8.335 8.335 7.559 0.775 25142 892 1 3 . 1 1 25 25 GLU N N 25 119.137 119.137 117.662 1.475 25142 893 1 3 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.097 0.150 25142 894 1 3 . 1 1 25 25 GLU C C 25 179.021 179.021 178.801 0.220 25142 895 1 3 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.819 1.184 25142 896 1 3 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.044 -0.376 25142 897 1 3 . 1 1 25 25 GLU H H 25 7.912 7.912 8.216 -0.304 25142 898 1 3 . 1 1 26 26 LYS N N 26 118.579 118.579 118.366 0.213 25142 899 1 3 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.295 -0.378 25142 900 1 3 . 1 1 26 26 LYS C C 26 179.351 179.351 178.420 0.931 25142 901 1 3 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.875 2.128 25142 902 1 3 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.318 0.284 25142 903 1 3 . 1 1 26 26 LYS H H 26 7.537 7.537 7.649 -0.112 25142 904 1 3 . 1 1 27 27 GLU N N 27 120.048 120.048 119.936 0.112 25142 905 1 3 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.114 0.031 25142 906 1 3 . 1 1 27 27 GLU C C 27 178.189 178.189 177.720 0.469 25142 907 1 3 . 1 1 27 27 GLU CA C 27 59.020 59.020 57.926 1.094 25142 908 1 3 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.189 -0.662 25142 909 1 3 . 1 1 27 27 GLU H H 27 7.849 7.849 7.606 0.243 25142 910 1 3 . 1 1 28 28 PHE N N 28 122.074 122.074 120.032 2.042 25142 911 1 3 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.079 0.279 25142 912 1 3 . 1 1 28 28 PHE C C 28 176.148 176.148 176.631 -0.483 25142 913 1 3 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.307 1.523 25142 914 1 3 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.912 0.435 25142 915 1 3 . 1 1 28 28 PHE H H 28 8.893 8.893 7.416 1.477 25142 916 1 3 . 1 1 29 29 LEU N N 29 115.649 115.649 119.130 -3.481 25142 917 1 3 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.727 0.236 25142 918 1 3 . 1 1 29 29 LEU C C 29 179.362 179.362 177.852 1.510 25142 919 1 3 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.162 0.188 25142 920 1 3 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.677 1.079 25142 921 1 3 . 1 1 29 29 LEU H H 29 7.919 7.919 7.470 0.449 25142 922 1 3 . 1 1 30 30 PHE N N 30 119.314 119.314 120.335 -1.021 25142 923 1 3 . 1 1 30 30 PHE HA H 30 4.445 4.445 3.972 0.473 25142 924 1 3 . 1 1 30 30 PHE C C 30 176.451 176.451 176.608 -0.157 25142 925 1 3 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.754 -1.172 25142 926 1 3 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.944 0.684 25142 927 1 3 . 1 1 30 30 PHE H H 30 7.584 7.584 8.212 -0.628 25142 928 1 3 . 1 1 31 31 ASN N N 31 116.457 116.457 118.017 -1.560 25142 929 1 3 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.210 0.382 25142 930 1 3 . 1 1 31 31 ASN C C 31 173.302 173.302 176.941 -3.639 25142 931 1 3 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.346 -1.385 25142 932 1 3 . 1 1 31 31 ASN CB C 31 39.347 39.347 37.775 1.572 25142 933 1 3 . 1 1 31 31 ASN H H 31 8.375 8.375 7.668 0.707 25142 934 1 3 . 1 1 32 32 MET N N 32 121.247 121.247 116.449 4.798 25142 935 1 3 . 1 1 32 32 MET HA H 32 3.761 3.761 4.311 -0.550 25142 936 1 3 . 1 1 32 32 MET C C 32 174.112 174.112 176.261 -2.149 25142 937 1 3 . 1 1 32 32 MET CA C 32 57.474 57.474 57.220 0.254 25142 938 1 3 . 1 1 32 32 MET CB C 32 33.586 33.586 33.226 0.360 25142 939 1 3 . 1 1 32 32 MET H H 32 8.185 8.185 7.615 0.570 25142 940 1 3 . 1 1 33 33 TYR N N 33 115.333 115.333 113.012 2.321 25142 941 1 3 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.617 0.060 25142 942 1 3 . 1 1 33 33 TYR C C 33 175.017 175.017 173.601 1.416 25142 943 1 3 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.205 -0.012 25142 944 1 3 . 1 1 33 33 TYR CB C 33 40.190 40.190 39.425 0.765 25142 945 1 3 . 1 1 33 33 TYR H H 33 7.758 7.758 7.177 0.581 25142 946 1 3 . 1 1 34 34 LEU N N 34 122.393 122.393 123.137 -0.744 25142 947 1 3 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.821 -0.229 25142 948 1 3 . 1 1 34 34 LEU C C 34 178.373 178.373 175.567 2.806 25142 949 1 3 . 1 1 34 34 LEU CA C 34 53.961 53.961 53.814 0.147 25142 950 1 3 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.185 -1.341 25142 951 1 3 . 1 1 34 34 LEU H H 34 8.293 8.293 8.223 0.070 25142 952 1 3 . 1 1 35 35 THR N N 35 113.078 113.078 116.804 -3.726 25142 953 1 3 . 1 1 35 35 THR HA H 35 4.445 4.445 4.780 -0.335 25142 954 1 3 . 1 1 35 35 THR C C 35 175.115 175.115 175.642 -0.527 25142 955 1 3 . 1 1 35 35 THR CA C 35 59.582 59.582 60.477 -0.895 25142 956 1 3 . 1 1 35 35 THR CB C 35 70.823 70.823 70.901 -0.078 25142 957 1 3 . 1 1 35 35 THR H H 35 7.729 7.729 8.103 -0.374 25142 958 1 3 . 1 1 36 36 ARG N N 36 122.118 122.118 122.678 -0.560 25142 959 1 3 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.170 -0.341 25142 960 1 3 . 1 1 36 36 ARG C C 36 178.596 178.596 177.969 0.627 25142 961 1 3 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.229 0.915 25142 962 1 3 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.544 -1.455 25142 963 1 3 . 1 1 36 36 ARG H H 36 8.951 8.951 8.894 0.057 25142 964 1 3 . 1 1 37 37 ASP N N 37 116.410 116.410 118.716 -2.306 25142 965 1 3 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.401 0.025 25142 966 1 3 . 1 1 37 37 ASP C C 37 178.603 178.603 178.364 0.239 25142 967 1 3 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.544 0.211 25142 968 1 3 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.647 -0.457 25142 969 1 3 . 1 1 37 37 ASP H H 37 8.454 8.454 7.887 0.567 25142 970 1 3 . 1 1 38 38 ARG N N 38 121.073 121.073 120.331 0.742 25142 971 1 3 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.483 -0.266 25142 972 1 3 . 1 1 38 38 ARG C C 38 177.751 177.751 178.389 -0.638 25142 973 1 3 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.144 -0.530 25142 974 1 3 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.175 -0.243 25142 975 1 3 . 1 1 38 38 ARG H H 38 7.795 7.795 7.432 0.363 25142 976 1 3 . 1 1 39 39 ARG N N 39 119.603 119.603 118.845 0.758 25142 977 1 3 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.072 -0.398 25142 978 1 3 . 1 1 39 39 ARG C C 39 177.405 177.405 179.249 -1.844 25142 979 1 3 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.510 0.775 25142 980 1 3 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.054 0.019 25142 981 1 3 . 1 1 39 39 ARG H H 39 8.650 8.650 7.629 1.021 25142 982 1 3 . 1 1 40 40 TYR N N 40 116.995 116.995 121.161 -4.166 25142 983 1 3 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.507 -0.436 25142 984 1 3 . 1 1 40 40 TYR C C 40 177.632 177.632 177.116 0.516 25142 985 1 3 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.196 2.196 25142 986 1 3 . 1 1 40 40 TYR CB C 40 37.801 37.801 39.103 -1.302 25142 987 1 3 . 1 1 40 40 TYR H H 40 7.893 7.893 8.363 -0.470 25142 988 1 3 . 1 1 41 41 GLU N N 41 120.324 120.324 118.885 1.439 25142 989 1 3 . 1 1 41 41 GLU HA H 41 4.139 4.139 4.027 0.112 25142 990 1 3 . 1 1 41 41 GLU C C 41 178.263 178.263 179.300 -1.037 25142 991 1 3 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.629 -1.593 25142 992 1 3 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.372 0.701 25142 993 1 3 . 1 1 41 41 GLU H H 41 7.687 7.687 8.093 -0.406 25142 994 1 3 . 1 1 42 42 VAL N N 42 120.030 120.030 115.104 4.926 25142 995 1 3 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.353 -0.832 25142 996 1 3 . 1 1 42 42 VAL C C 42 177.248 177.248 177.422 -0.174 25142 997 1 3 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.512 1.674 25142 998 1 3 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.090 1.512 25142 999 1 3 . 1 1 42 42 VAL H H 42 8.675 8.675 8.237 0.438 25142 1000 1 3 . 1 1 43 43 ALA N N 43 119.887 119.887 123.094 -3.207 25142 1001 1 3 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.107 -0.539 25142 1002 1 3 . 1 1 43 43 ALA C C 43 179.037 179.037 179.376 -0.339 25142 1003 1 3 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.523 1.546 25142 1004 1 3 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.597 -1.171 25142 1005 1 3 . 1 1 43 43 ALA H H 43 8.026 8.026 7.701 0.325 25142 1006 1 3 . 1 1 44 44 ARG N N 44 116.238 116.238 117.767 -1.529 25142 1007 1 3 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.127 -0.126 25142 1008 1 3 . 1 1 44 44 ARG C C 44 180.290 180.290 178.478 1.812 25142 1009 1 3 . 1 1 44 44 ARG CA C 44 59.301 59.301 59.155 0.146 25142 1010 1 3 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.715 -0.642 25142 1011 1 3 . 1 1 44 44 ARG H H 44 7.771 7.771 7.968 -0.197 25142 1012 1 3 . 1 1 45 45 VAL N N 45 118.391 118.391 115.314 3.077 25142 1013 1 3 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.048 -0.238 25142 1014 1 3 . 1 1 45 45 VAL C C 45 177.986 177.986 176.907 1.079 25142 1015 1 3 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.813 0.390 25142 1016 1 3 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.058 0.544 25142 1017 1 3 . 1 1 45 45 VAL H H 45 8.250 8.250 7.584 0.666 25142 1018 1 3 . 1 1 46 46 LEU N N 46 116.008 116.008 119.162 -3.154 25142 1019 1 3 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.347 0.160 25142 1020 1 3 . 1 1 46 46 LEU C C 46 176.657 176.657 176.374 0.283 25142 1021 1 3 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.416 0.248 25142 1022 1 3 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.196 -0.021 25142 1023 1 3 . 1 1 46 46 LEU H H 46 7.896 7.896 7.532 0.364 25142 1024 1 3 . 1 1 47 47 ASN N N 47 117.881 117.881 114.888 2.993 25142 1025 1 3 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.367 0.074 25142 1026 1 3 . 1 1 47 47 ASN C C 47 173.788 173.788 174.201 -0.413 25142 1027 1 3 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.265 0.539 25142 1028 1 3 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.530 0.288 25142 1029 1 3 . 1 1 47 47 ASN H H 47 7.992 7.992 7.845 0.147 25142 1030 1 3 . 1 1 48 48 LEU N N 48 119.211 119.211 116.826 2.385 25142 1031 1 3 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.596 0.281 25142 1032 1 3 . 1 1 48 48 LEU C C 48 176.505 176.505 176.151 0.354 25142 1033 1 3 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.633 0.199 25142 1034 1 3 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.242 3.678 25142 1035 1 3 . 1 1 48 48 LEU H H 48 8.517 8.517 7.979 0.538 25142 1036 1 3 . 1 1 49 49 THR N N 49 109.223 109.223 114.322 -5.099 25142 1037 1 3 . 1 1 49 49 THR HA H 49 4.648 4.648 4.495 0.153 25142 1038 1 3 . 1 1 49 49 THR C C 49 176.663 176.663 175.307 1.356 25142 1039 1 3 . 1 1 49 49 THR CA C 49 60.566 60.566 60.757 -0.191 25142 1040 1 3 . 1 1 49 49 THR CB C 49 70.824 70.824 70.899 -0.075 25142 1041 1 3 . 1 1 49 49 THR H H 49 8.694 8.694 8.243 0.451 25142 1042 1 3 . 1 1 50 50 GLU N N 50 121.200 121.200 124.227 -3.027 25142 1043 1 3 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.055 -0.402 25142 1044 1 3 . 1 1 50 50 GLU C C 50 178.500 178.500 178.681 -0.181 25142 1045 1 3 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.658 0.329 25142 1046 1 3 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.375 0.556 25142 1047 1 3 . 1 1 50 50 GLU H H 50 9.184 9.184 8.884 0.300 25142 1048 1 3 . 1 1 51 51 ARG N N 51 119.168 119.168 118.770 0.398 25142 1049 1 3 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.344 -0.341 25142 1050 1 3 . 1 1 51 51 ARG C C 51 177.979 177.979 178.565 -0.586 25142 1051 1 3 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.400 0.901 25142 1052 1 3 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.649 0.424 25142 1053 1 3 . 1 1 51 51 ARG H H 51 8.220 8.220 8.483 -0.263 25142 1054 1 3 . 1 1 52 52 GLN N N 52 117.548 117.548 119.656 -2.108 25142 1055 1 3 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.183 -0.094 25142 1056 1 3 . 1 1 52 52 GLN C C 52 180.689 180.689 178.097 2.592 25142 1057 1 3 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.356 0.507 25142 1058 1 3 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.387 1.826 25142 1059 1 3 . 1 1 52 52 GLN H H 52 8.029 8.029 8.261 -0.232 25142 1060 1 3 . 1 1 53 53 VAL N N 53 121.408 121.408 116.618 4.790 25142 1061 1 3 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.724 0.089 25142 1062 1 3 . 1 1 53 53 VAL C C 53 176.662 176.662 177.698 -1.036 25142 1063 1 3 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.468 1.686 25142 1064 1 3 . 1 1 53 53 VAL CB C 53 32.602 32.602 30.694 1.908 25142 1065 1 3 . 1 1 53 53 VAL H H 53 8.004 8.004 8.117 -0.113 25142 1066 1 3 . 1 1 54 54 LYS N N 54 121.266 121.266 119.805 1.461 25142 1067 1 3 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.226 0.021 25142 1068 1 3 . 1 1 54 54 LYS C C 54 179.996 179.996 179.115 0.881 25142 1069 1 3 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.096 0.908 25142 1070 1 3 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.908 0.694 25142 1071 1 3 . 1 1 54 54 LYS H H 54 8.527 8.527 7.267 1.260 25142 1072 1 3 . 1 1 55 55 ILE N N 55 119.453 119.453 120.267 -0.814 25142 1073 1 3 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.813 0.047 25142 1074 1 3 . 1 1 55 55 ILE C C 55 177.548 177.548 178.008 -0.460 25142 1075 1 3 . 1 1 55 55 ILE CA C 55 63.938 63.938 64.879 -0.941 25142 1076 1 3 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.606 0.617 25142 1077 1 3 . 1 1 55 55 ILE H H 55 8.748 8.748 7.922 0.826 25142 1078 1 3 . 1 1 56 56 TRP N N 56 122.220 122.220 122.179 0.041 25142 1079 1 3 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.238 -0.331 25142 1080 1 3 . 1 1 56 56 TRP C C 56 180.094 180.094 177.942 2.152 25142 1081 1 3 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.837 2.101 25142 1082 1 3 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.610 -0.240 25142 1083 1 3 . 1 1 56 56 TRP H H 56 8.076 8.076 8.097 -0.021 25142 1084 1 3 . 1 1 57 57 PHE N N 57 119.464 119.464 119.482 -0.018 25142 1085 1 3 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.793 0.067 25142 1086 1 3 . 1 1 57 57 PHE C C 57 177.749 177.749 177.603 0.146 25142 1087 1 3 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.740 2.198 25142 1088 1 3 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.375 0.253 25142 1089 1 3 . 1 1 57 57 PHE H H 57 8.859 8.859 8.181 0.678 25142 1090 1 3 . 1 1 58 58 GLN N N 58 118.649 118.649 117.562 1.087 25142 1091 1 3 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.855 0.148 25142 1092 1 3 . 1 1 58 58 GLN C C 58 178.888 178.888 178.478 0.410 25142 1093 1 3 . 1 1 58 58 GLN CA C 58 59.301 59.301 58.870 0.431 25142 1094 1 3 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.002 0.665 25142 1095 1 3 . 1 1 58 58 GLN H H 58 8.240 8.240 8.209 0.031 25142 1096 1 3 . 1 1 59 59 ASN N N 59 118.104 118.104 118.463 -0.359 25142 1097 1 3 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.301 0.016 25142 1098 1 3 . 1 1 59 59 ASN C C 59 177.504 177.504 177.727 -0.223 25142 1099 1 3 . 1 1 59 59 ASN CA C 59 56.210 56.210 55.967 0.243 25142 1100 1 3 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.848 -0.047 25142 1101 1 3 . 1 1 59 59 ASN H H 59 8.320 8.320 7.968 0.352 25142 1102 1 3 . 1 1 60 60 ARG N N 60 122.957 122.957 117.800 5.157 25142 1103 1 3 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.871 -0.475 25142 1104 1 3 . 1 1 60 60 ARG C C 60 179.229 179.229 178.126 1.103 25142 1105 1 3 . 1 1 60 60 ARG CA C 60 56.631 56.631 57.741 -1.110 25142 1106 1 3 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.177 -0.790 25142 1107 1 3 . 1 1 60 60 ARG H H 60 8.113 8.113 7.347 0.766 25142 1108 1 3 . 1 1 61 61 ARG N N 61 117.860 117.860 118.818 -0.958 25142 1109 1 3 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.076 0.013 25142 1110 1 3 . 1 1 61 61 ARG C C 61 178.883 178.883 178.434 0.449 25142 1111 1 3 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.651 2.212 25142 1112 1 3 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.272 0.643 25142 1113 1 3 . 1 1 61 61 ARG H H 61 7.902 7.902 7.542 0.360 25142 1114 1 3 . 1 1 62 62 MET N N 62 117.859 117.859 117.562 0.297 25142 1115 1 3 . 1 1 62 62 MET HA H 62 4.263 4.263 4.206 0.057 25142 1116 1 3 . 1 1 62 62 MET C C 62 177.644 177.644 178.831 -1.187 25142 1117 1 3 . 1 1 62 62 MET CA C 62 57.474 57.474 58.700 -1.226 25142 1118 1 3 . 1 1 62 62 MET CB C 62 30.494 30.494 32.073 -1.579 25142 1119 1 3 . 1 1 62 62 MET H H 62 7.535 7.535 8.185 -0.650 25142 1120 1 3 . 1 1 63 63 LYS N N 63 118.415 118.415 120.381 -1.966 25142 1121 1 3 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.987 0.145 25142 1122 1 3 . 1 1 63 63 LYS C C 63 177.090 177.090 177.952 -0.862 25142 1123 1 3 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.789 -1.174 25142 1124 1 3 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.739 1.284 25142 1125 1 3 . 1 1 63 63 LYS H H 63 7.426 7.426 8.139 -0.713 25142 1126 1 3 . 1 1 64 64 MET N N 64 117.987 117.987 116.059 1.928 25142 1127 1 3 . 1 1 64 64 MET HA H 64 4.271 4.271 4.342 -0.071 25142 1128 1 3 . 1 1 64 64 MET C C 64 176.223 176.223 176.629 -0.406 25142 1129 1 3 . 1 1 64 64 MET CA C 64 57.632 57.632 57.244 0.388 25142 1130 1 3 . 1 1 64 64 MET H H 64 7.538 7.538 7.418 0.120 25142 1131 1 3 . 1 1 65 65 LYS N N 65 120.643 120.643 116.998 3.645 25142 1132 1 3 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.204 0.095 25142 1133 1 3 . 1 1 65 65 LYS C C 65 175.950 175.950 178.104 -2.154 25142 1134 1 3 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.027 0.605 25142 1135 1 3 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.176 0.848 25142 1136 1 3 . 1 1 65 65 LYS H H 65 7.930 7.930 7.221 0.709 25142 1137 1 3 . 1 1 66 66 LYS N N 66 122.089 122.089 117.143 4.946 25142 1138 1 3 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.230 0.041 25142 1139 1 3 . 1 1 66 66 LYS C C 66 176.302 176.302 176.658 -0.356 25142 1140 1 3 . 1 1 66 66 LYS CA C 66 57.491 57.491 57.496 -0.005 25142 1141 1 3 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.262 -0.642 25142 1142 1 3 . 1 1 66 66 LYS H H 66 8.172 8.172 8.047 0.125 25142 1143 1 3 . 1 1 67 67 MET N N 67 119.918 119.918 116.983 2.935 25142 1144 1 3 . 1 1 67 67 MET HA H 67 4.765 4.765 4.634 0.131 25142 1145 1 3 . 1 1 67 67 MET C C 67 175.047 175.047 174.075 0.972 25142 1146 1 3 . 1 1 67 67 MET H H 67 8.056 8.056 7.579 0.477 25142 1147 1 4 . 1 1 2 2 ASN N N 2 125.670 125.670 118.144 7.526 25142 1148 1 4 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.824 -0.687 25142 1149 1 4 . 1 1 2 2 ASN C C 2 170.976 170.976 174.765 -3.789 25142 1150 1 4 . 1 1 2 2 ASN CA C 2 53.812 53.812 52.441 1.371 25142 1151 1 4 . 1 1 2 2 ASN CB C 2 38.888 38.888 38.079 0.809 25142 1152 1 4 . 1 1 2 2 ASN H H 2 7.926 7.926 8.204 -0.278 25142 1153 1 4 . 1 1 3 3 TRP N N 3 122.562 122.562 124.139 -1.577 25142 1154 1 4 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.110 0.652 25142 1155 1 4 . 1 1 3 3 TRP C C 3 176.062 176.062 175.118 0.944 25142 1156 1 4 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.572 -0.602 25142 1157 1 4 . 1 1 3 3 TRP CB C 3 29.629 29.629 27.809 1.820 25142 1158 1 4 . 1 1 3 3 TRP H H 3 7.920 7.920 7.837 0.083 25142 1159 1 4 . 1 1 4 4 ILE N N 4 122.339 122.339 116.734 5.605 25142 1160 1 4 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.368 0.803 25142 1161 1 4 . 1 1 4 4 ILE C C 4 175.825 175.825 175.539 0.286 25142 1162 1 4 . 1 1 4 4 ILE CA C 4 61.409 61.409 63.065 -1.656 25142 1163 1 4 . 1 1 4 4 ILE CB C 4 38.645 38.645 35.464 3.181 25142 1164 1 4 . 1 1 4 4 ILE H H 4 7.893 7.893 8.372 -0.479 25142 1165 1 4 . 1 1 5 5 HIS N N 5 122.699 122.699 117.334 5.365 25142 1166 1 4 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.498 0.030 25142 1167 1 4 . 1 1 5 5 HIS C C 5 175.039 175.039 174.851 0.188 25142 1168 1 4 . 1 1 5 5 HIS CA C 5 56.069 56.069 55.103 0.966 25142 1169 1 4 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.753 0.881 25142 1170 1 4 . 1 1 5 5 HIS H H 5 8.015 8.015 7.867 0.148 25142 1171 1 4 . 1 1 6 6 ALA N N 6 125.335 125.335 122.919 2.416 25142 1172 1 4 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.270 -0.002 25142 1173 1 4 . 1 1 6 6 ALA C C 6 177.735 177.735 177.690 0.045 25142 1174 1 4 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.619 0.078 25142 1175 1 4 . 1 1 6 6 ALA CB C 6 19.253 19.253 17.808 1.444 25142 1176 1 4 . 1 1 6 6 ALA H H 6 8.183 8.183 7.800 0.383 25142 1177 1 4 . 1 1 7 7 ARG N N 7 120.137 120.137 123.470 -3.333 25142 1178 1 4 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.380 -0.089 25142 1179 1 4 . 1 1 7 7 ARG C C 7 176.556 176.556 175.752 0.804 25142 1180 1 4 . 1 1 7 7 ARG CA C 7 56.226 56.226 56.259 -0.033 25142 1181 1 4 . 1 1 7 7 ARG CB C 7 30.933 30.933 31.054 -0.121 25142 1182 1 4 . 1 1 7 7 ARG H H 7 8.399 8.399 8.068 0.331 25142 1183 1 4 . 1 1 9 9 THR N N 9 115.696 115.696 117.991 -2.295 25142 1184 1 4 . 1 1 9 9 THR HA H 9 4.311 4.311 4.463 -0.152 25142 1185 1 4 . 1 1 9 9 THR C C 9 174.493 174.493 173.833 0.660 25142 1186 1 4 . 1 1 9 9 THR CA C 9 61.970 61.970 60.587 1.383 25142 1187 1 4 . 1 1 9 9 THR CB C 9 69.840 69.840 70.109 -0.269 25142 1188 1 4 . 1 1 9 9 THR H H 9 8.081 8.081 8.167 -0.086 25142 1189 1 4 . 1 1 10 10 ARG N N 10 123.599 123.599 123.587 0.012 25142 1190 1 4 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.263 0.050 25142 1191 1 4 . 1 1 10 10 ARG C C 10 176.173 176.173 176.349 -0.176 25142 1192 1 4 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.437 -0.210 25142 1193 1 4 . 1 1 10 10 ARG CB C 10 30.933 30.933 29.901 1.032 25142 1194 1 4 . 1 1 10 10 ARG H H 10 8.275 8.275 8.607 -0.332 25142 1195 1 4 . 1 1 11 11 LYS N N 11 123.132 123.132 123.642 -0.510 25142 1196 1 4 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.260 0.038 25142 1197 1 4 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.498 0.150 25142 1198 1 4 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.482 0.699 25142 1199 1 4 . 1 1 11 11 LYS H H 11 8.334 8.334 8.386 -0.052 25142 1200 1 4 . 1 1 12 12 LYS N N 12 123.229 123.229 120.311 2.918 25142 1201 1 4 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.216 0.038 25142 1202 1 4 . 1 1 12 12 LYS C C 12 176.124 176.124 176.908 -0.784 25142 1203 1 4 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.367 0.264 25142 1204 1 4 . 1 1 12 12 LYS CB C 12 33.164 33.164 32.840 0.324 25142 1205 1 4 . 1 1 12 12 LYS H H 12 8.357 8.357 7.532 0.825 25142 1206 1 4 . 1 1 13 13 ARG N N 13 123.166 123.166 122.142 1.024 25142 1207 1 4 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.299 0.018 25142 1208 1 4 . 1 1 13 13 ARG C C 13 175.831 175.831 175.931 -0.100 25142 1209 1 4 . 1 1 13 13 ARG CA C 13 56.210 56.210 55.736 0.474 25142 1210 1 4 . 1 1 13 13 ARG CB C 13 30.073 30.073 28.750 1.323 25142 1211 1 4 . 1 1 13 13 ARG H H 13 8.439 8.439 8.743 -0.304 25142 1212 1 4 . 1 1 14 14 CYS N N 14 123.412 123.412 120.981 2.431 25142 1213 1 4 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.340 0.274 25142 1214 1 4 . 1 1 14 14 CYS CA C 14 56.771 56.771 58.280 -1.509 25142 1215 1 4 . 1 1 14 14 CYS H H 14 8.542 8.542 8.978 -0.436 25142 1216 1 4 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.239 0.094 25142 1217 1 4 . 1 1 15 15 PRO C C 15 175.713 175.713 175.762 -0.049 25142 1218 1 4 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.842 -0.044 25142 1219 1 4 . 1 1 15 15 PRO CB C 15 32.040 32.040 32.119 -0.079 25142 1220 1 4 . 1 1 16 16 TYR N N 16 116.961 116.961 117.315 -0.354 25142 1221 1 4 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.676 0.249 25142 1222 1 4 . 1 1 16 16 TYR C C 16 176.803 176.803 175.079 1.724 25142 1223 1 4 . 1 1 16 16 TYR CA C 16 56.583 56.583 56.859 -0.276 25142 1224 1 4 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.218 1.827 25142 1225 1 4 . 1 1 16 16 TYR H H 16 7.539 7.539 7.549 -0.010 25142 1226 1 4 . 1 1 17 17 THR N N 17 115.107 115.107 117.336 -2.229 25142 1227 1 4 . 1 1 17 17 THR HA H 17 4.469 4.469 4.508 -0.039 25142 1228 1 4 . 1 1 17 17 THR C C 17 175.593 175.593 175.965 -0.372 25142 1229 1 4 . 1 1 17 17 THR CA C 17 60.987 60.987 59.963 1.024 25142 1230 1 4 . 1 1 17 17 THR CB C 17 71.240 71.240 71.070 0.170 25142 1231 1 4 . 1 1 17 17 THR H H 17 9.305 9.305 8.121 1.184 25142 1232 1 4 . 1 1 18 18 LYS N N 18 123.297 123.297 121.967 1.330 25142 1233 1 4 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.067 0.024 25142 1234 1 4 . 1 1 18 18 LYS C C 18 178.363 178.363 178.335 0.028 25142 1235 1 4 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.310 0.694 25142 1236 1 4 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.973 0.067 25142 1237 1 4 . 1 1 18 18 LYS H H 18 8.990 8.990 8.865 0.125 25142 1238 1 4 . 1 1 19 19 TYR N N 19 118.372 118.372 121.323 -2.951 25142 1239 1 4 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.137 0.034 25142 1240 1 4 . 1 1 19 19 TYR C C 19 176.959 176.959 177.554 -0.595 25142 1241 1 4 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.986 -0.577 25142 1242 1 4 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.603 0.199 25142 1243 1 4 . 1 1 19 19 TYR H H 19 8.334 8.334 7.694 0.640 25142 1244 1 4 . 1 1 20 20 GLN N N 20 116.238 116.238 116.969 -0.731 25142 1245 1 4 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.957 -0.421 25142 1246 1 4 . 1 1 20 20 GLN C C 20 177.491 177.491 178.384 -0.893 25142 1247 1 4 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.353 -0.052 25142 1248 1 4 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.177 -0.072 25142 1249 1 4 . 1 1 20 20 GLN H H 20 7.771 7.771 8.049 -0.278 25142 1250 1 4 . 1 1 21 21 THR N N 21 112.943 112.943 114.804 -1.861 25142 1251 1 4 . 1 1 21 21 THR HA H 21 3.401 3.401 4.115 -0.714 25142 1252 1 4 . 1 1 21 21 THR C C 21 175.530 175.530 176.574 -1.044 25142 1253 1 4 . 1 1 21 21 THR CA C 21 67.451 67.451 65.574 1.877 25142 1254 1 4 . 1 1 21 21 THR CB C 21 68.856 68.856 68.898 -0.042 25142 1255 1 4 . 1 1 21 21 THR H H 21 8.468 8.468 7.944 0.524 25142 1256 1 4 . 1 1 22 22 LEU N N 22 121.513 121.513 121.013 0.500 25142 1257 1 4 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.585 -0.606 25142 1258 1 4 . 1 1 22 22 LEU C C 22 180.452 180.452 178.126 2.326 25142 1259 1 4 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.785 0.251 25142 1260 1 4 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.510 0.367 25142 1261 1 4 . 1 1 22 22 LEU H H 22 8.054 8.054 7.465 0.589 25142 1262 1 4 . 1 1 23 23 GLU N N 23 118.464 118.464 118.389 0.075 25142 1263 1 4 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.139 -0.303 25142 1264 1 4 . 1 1 23 23 GLU C C 23 179.824 179.824 179.160 0.664 25142 1265 1 4 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.403 0.195 25142 1266 1 4 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.339 1.593 25142 1267 1 4 . 1 1 23 23 GLU H H 23 7.732 7.732 7.686 0.046 25142 1268 1 4 . 1 1 24 24 LEU N N 24 124.210 124.210 119.451 4.759 25142 1269 1 4 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.093 -0.581 25142 1270 1 4 . 1 1 24 24 LEU C C 24 177.592 177.592 178.840 -1.248 25142 1271 1 4 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.452 1.006 25142 1272 1 4 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.943 -4.423 25142 1273 1 4 . 1 1 24 24 LEU H H 24 8.335 8.335 7.510 0.825 25142 1274 1 4 . 1 1 25 25 GLU N N 25 119.137 119.137 117.934 1.203 25142 1275 1 4 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.126 0.121 25142 1276 1 4 . 1 1 25 25 GLU C C 25 179.021 179.021 178.010 1.011 25142 1277 1 4 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.754 1.249 25142 1278 1 4 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.171 -0.503 25142 1279 1 4 . 1 1 25 25 GLU H H 25 7.912 7.912 8.014 -0.102 25142 1280 1 4 . 1 1 26 26 LYS N N 26 118.579 118.579 117.732 0.847 25142 1281 1 4 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.320 -0.403 25142 1282 1 4 . 1 1 26 26 LYS C C 26 179.351 179.351 178.743 0.608 25142 1283 1 4 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.586 2.417 25142 1284 1 4 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.485 0.117 25142 1285 1 4 . 1 1 26 26 LYS H H 26 7.537 7.537 7.616 -0.079 25142 1286 1 4 . 1 1 27 27 GLU N N 27 120.048 120.048 120.292 -0.244 25142 1287 1 4 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.166 -0.021 25142 1288 1 4 . 1 1 27 27 GLU C C 27 178.189 178.189 178.033 0.156 25142 1289 1 4 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.231 0.789 25142 1290 1 4 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.317 -0.790 25142 1291 1 4 . 1 1 27 27 GLU H H 27 7.849 7.849 7.588 0.261 25142 1292 1 4 . 1 1 28 28 PHE N N 28 122.074 122.074 119.994 2.080 25142 1293 1 4 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.039 0.319 25142 1294 1 4 . 1 1 28 28 PHE C C 28 176.148 176.148 176.381 -0.233 25142 1295 1 4 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.349 1.481 25142 1296 1 4 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.913 0.435 25142 1297 1 4 . 1 1 28 28 PHE H H 28 8.893 8.893 7.470 1.423 25142 1298 1 4 . 1 1 29 29 LEU N N 29 115.649 115.649 119.800 -4.151 25142 1299 1 4 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.841 0.122 25142 1300 1 4 . 1 1 29 29 LEU C C 29 179.362 179.362 178.160 1.202 25142 1301 1 4 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.925 -0.576 25142 1302 1 4 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.078 0.678 25142 1303 1 4 . 1 1 29 29 LEU H H 29 7.919 7.919 7.548 0.371 25142 1304 1 4 . 1 1 30 30 PHE N N 30 119.314 119.314 119.481 -0.167 25142 1305 1 4 . 1 1 30 30 PHE HA H 30 4.445 4.445 3.941 0.504 25142 1306 1 4 . 1 1 30 30 PHE C C 30 176.451 176.451 176.971 -0.520 25142 1307 1 4 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.644 -1.062 25142 1308 1 4 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.797 0.831 25142 1309 1 4 . 1 1 30 30 PHE H H 30 7.584 7.584 8.190 -0.606 25142 1310 1 4 . 1 1 31 31 ASN N N 31 116.457 116.457 117.900 -1.443 25142 1311 1 4 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.186 0.406 25142 1312 1 4 . 1 1 31 31 ASN C C 31 173.302 173.302 176.441 -3.139 25142 1313 1 4 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.512 -1.551 25142 1314 1 4 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.539 0.808 25142 1315 1 4 . 1 1 31 31 ASN H H 31 8.375 8.375 7.851 0.524 25142 1316 1 4 . 1 1 32 32 MET N N 32 121.247 121.247 115.810 5.437 25142 1317 1 4 . 1 1 32 32 MET HA H 32 3.761 3.761 4.372 -0.611 25142 1318 1 4 . 1 1 32 32 MET C C 32 174.112 174.112 176.179 -2.067 25142 1319 1 4 . 1 1 32 32 MET CA C 32 57.474 57.474 56.539 0.935 25142 1320 1 4 . 1 1 32 32 MET CB C 32 33.586 33.586 33.865 -0.279 25142 1321 1 4 . 1 1 32 32 MET H H 32 8.185 8.185 7.563 0.622 25142 1322 1 4 . 1 1 33 33 TYR N N 33 115.333 115.333 116.089 -0.756 25142 1323 1 4 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.442 0.235 25142 1324 1 4 . 1 1 33 33 TYR C C 33 175.017 175.017 174.160 0.857 25142 1325 1 4 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.305 -1.112 25142 1326 1 4 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.907 -0.718 25142 1327 1 4 . 1 1 33 33 TYR H H 33 7.758 7.758 7.732 0.026 25142 1328 1 4 . 1 1 34 34 LEU N N 34 122.393 122.393 124.394 -2.001 25142 1329 1 4 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.870 -0.278 25142 1330 1 4 . 1 1 34 34 LEU C C 34 178.373 178.373 175.263 3.110 25142 1331 1 4 . 1 1 34 34 LEU CA C 34 53.961 53.961 53.725 0.236 25142 1332 1 4 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.791 -1.947 25142 1333 1 4 . 1 1 34 34 LEU H H 34 8.293 8.293 8.157 0.136 25142 1334 1 4 . 1 1 35 35 THR N N 35 113.078 113.078 115.961 -2.883 25142 1335 1 4 . 1 1 35 35 THR HA H 35 4.445 4.445 4.803 -0.358 25142 1336 1 4 . 1 1 35 35 THR C C 35 175.115 175.115 175.419 -0.304 25142 1337 1 4 . 1 1 35 35 THR CA C 35 59.582 59.582 59.763 -0.181 25142 1338 1 4 . 1 1 35 35 THR CB C 35 70.823 70.823 70.510 0.313 25142 1339 1 4 . 1 1 35 35 THR H H 35 7.729 7.729 8.265 -0.536 25142 1340 1 4 . 1 1 36 36 ARG N N 36 122.118 122.118 125.687 -3.569 25142 1341 1 4 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.054 -0.225 25142 1342 1 4 . 1 1 36 36 ARG C C 36 178.596 178.596 177.733 0.863 25142 1343 1 4 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.392 0.752 25142 1344 1 4 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.373 -1.284 25142 1345 1 4 . 1 1 36 36 ARG H H 36 8.951 8.951 9.002 -0.051 25142 1346 1 4 . 1 1 37 37 ASP N N 37 116.410 116.410 118.757 -2.347 25142 1347 1 4 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.442 -0.016 25142 1348 1 4 . 1 1 37 37 ASP C C 37 178.603 178.603 178.707 -0.104 25142 1349 1 4 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.740 0.014 25142 1350 1 4 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.356 -0.166 25142 1351 1 4 . 1 1 37 37 ASP H H 37 8.454 8.454 7.931 0.523 25142 1352 1 4 . 1 1 38 38 ARG N N 38 121.073 121.073 119.999 1.074 25142 1353 1 4 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.484 -0.267 25142 1354 1 4 . 1 1 38 38 ARG C C 38 177.751 177.751 178.694 -0.943 25142 1355 1 4 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.201 -0.587 25142 1356 1 4 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.238 -0.306 25142 1357 1 4 . 1 1 38 38 ARG H H 38 7.795 7.795 7.893 -0.098 25142 1358 1 4 . 1 1 39 39 ARG N N 39 119.603 119.603 118.850 0.753 25142 1359 1 4 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.128 -0.454 25142 1360 1 4 . 1 1 39 39 ARG C C 39 177.405 177.405 179.201 -1.796 25142 1361 1 4 . 1 1 39 39 ARG CA C 39 60.285 60.285 58.813 1.472 25142 1362 1 4 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.698 0.374 25142 1363 1 4 . 1 1 39 39 ARG H H 39 8.650 8.650 7.676 0.974 25142 1364 1 4 . 1 1 40 40 TYR N N 40 116.995 116.995 120.997 -4.002 25142 1365 1 4 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.187 -0.116 25142 1366 1 4 . 1 1 40 40 TYR C C 40 177.632 177.632 177.010 0.622 25142 1367 1 4 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.956 1.436 25142 1368 1 4 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.659 -0.858 25142 1369 1 4 . 1 1 40 40 TYR H H 40 7.893 7.893 7.921 -0.028 25142 1370 1 4 . 1 1 41 41 GLU N N 41 120.324 120.324 118.787 1.537 25142 1371 1 4 . 1 1 41 41 GLU HA H 41 4.139 4.139 4.025 0.114 25142 1372 1 4 . 1 1 41 41 GLU C C 41 178.263 178.263 179.310 -1.047 25142 1373 1 4 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.574 -1.538 25142 1374 1 4 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.392 0.680 25142 1375 1 4 . 1 1 41 41 GLU H H 41 7.687 7.687 7.984 -0.297 25142 1376 1 4 . 1 1 42 42 VAL N N 42 120.030 120.030 115.189 4.841 25142 1377 1 4 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.228 -0.707 25142 1378 1 4 . 1 1 42 42 VAL C C 42 177.248 177.248 177.442 -0.194 25142 1379 1 4 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.751 1.435 25142 1380 1 4 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.072 1.530 25142 1381 1 4 . 1 1 42 42 VAL H H 42 8.675 8.675 8.195 0.480 25142 1382 1 4 . 1 1 43 43 ALA N N 43 119.887 119.887 122.769 -2.882 25142 1383 1 4 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.156 -0.588 25142 1384 1 4 . 1 1 43 43 ALA C C 43 179.037 179.037 179.368 -0.331 25142 1385 1 4 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.442 1.627 25142 1386 1 4 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.710 -1.284 25142 1387 1 4 . 1 1 43 43 ALA H H 43 8.026 8.026 7.537 0.489 25142 1388 1 4 . 1 1 44 44 ARG N N 44 116.238 116.238 117.552 -1.314 25142 1389 1 4 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.183 -0.182 25142 1390 1 4 . 1 1 44 44 ARG C C 44 180.290 180.290 178.354 1.936 25142 1391 1 4 . 1 1 44 44 ARG CA C 44 59.301 59.301 59.058 0.243 25142 1392 1 4 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.720 -0.647 25142 1393 1 4 . 1 1 44 44 ARG H H 44 7.771 7.771 7.950 -0.179 25142 1394 1 4 . 1 1 45 45 VAL N N 45 118.391 118.391 115.488 2.903 25142 1395 1 4 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.163 -0.353 25142 1396 1 4 . 1 1 45 45 VAL C C 45 177.986 177.986 176.964 1.022 25142 1397 1 4 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.955 0.248 25142 1398 1 4 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.154 0.448 25142 1399 1 4 . 1 1 45 45 VAL H H 45 8.250 8.250 7.602 0.648 25142 1400 1 4 . 1 1 46 46 LEU N N 46 116.008 116.008 118.486 -2.478 25142 1401 1 4 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.424 0.083 25142 1402 1 4 . 1 1 46 46 LEU C C 46 176.657 176.657 176.620 0.037 25142 1403 1 4 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.835 -0.171 25142 1404 1 4 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.026 0.149 25142 1405 1 4 . 1 1 46 46 LEU H H 46 7.896 7.896 7.554 0.342 25142 1406 1 4 . 1 1 47 47 ASN N N 47 117.881 117.881 113.716 4.165 25142 1407 1 4 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.375 0.066 25142 1408 1 4 . 1 1 47 47 ASN C C 47 173.788 173.788 174.465 -0.677 25142 1409 1 4 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.016 0.788 25142 1410 1 4 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.904 -0.086 25142 1411 1 4 . 1 1 47 47 ASN H H 47 7.992 7.992 7.737 0.255 25142 1412 1 4 . 1 1 48 48 LEU N N 48 119.211 119.211 116.964 2.247 25142 1413 1 4 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.658 0.219 25142 1414 1 4 . 1 1 48 48 LEU C C 48 176.505 176.505 175.821 0.684 25142 1415 1 4 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.613 0.219 25142 1416 1 4 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.230 3.689 25142 1417 1 4 . 1 1 48 48 LEU H H 48 8.517 8.517 7.765 0.752 25142 1418 1 4 . 1 1 49 49 THR N N 49 109.223 109.223 114.135 -4.912 25142 1419 1 4 . 1 1 49 49 THR HA H 49 4.648 4.648 4.408 0.240 25142 1420 1 4 . 1 1 49 49 THR C C 49 176.663 176.663 174.825 1.838 25142 1421 1 4 . 1 1 49 49 THR CA C 49 60.566 60.566 61.141 -0.575 25142 1422 1 4 . 1 1 49 49 THR CB C 49 70.824 70.824 70.707 0.117 25142 1423 1 4 . 1 1 49 49 THR H H 49 8.694 8.694 7.938 0.756 25142 1424 1 4 . 1 1 50 50 GLU N N 50 121.200 121.200 121.984 -0.784 25142 1425 1 4 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.231 -0.578 25142 1426 1 4 . 1 1 50 50 GLU C C 50 178.500 178.500 178.805 -0.305 25142 1427 1 4 . 1 1 50 50 GLU CA C 50 60.987 60.987 59.679 1.308 25142 1428 1 4 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.517 0.415 25142 1429 1 4 . 1 1 50 50 GLU H H 50 9.184 9.184 8.751 0.433 25142 1430 1 4 . 1 1 51 51 ARG N N 51 119.168 119.168 119.078 0.090 25142 1431 1 4 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.266 -0.263 25142 1432 1 4 . 1 1 51 51 ARG C C 51 177.979 177.979 178.585 -0.606 25142 1433 1 4 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.838 0.463 25142 1434 1 4 . 1 1 51 51 ARG CB C 51 30.073 30.073 30.239 -0.166 25142 1435 1 4 . 1 1 51 51 ARG H H 51 8.220 8.220 8.205 0.015 25142 1436 1 4 . 1 1 52 52 GLN N N 52 117.548 117.548 119.635 -2.087 25142 1437 1 4 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.216 -0.127 25142 1438 1 4 . 1 1 52 52 GLN C C 52 180.689 180.689 178.098 2.591 25142 1439 1 4 . 1 1 52 52 GLN CA C 52 59.863 59.863 58.933 0.930 25142 1440 1 4 . 1 1 52 52 GLN CB C 52 30.213 30.213 27.534 2.679 25142 1441 1 4 . 1 1 52 52 GLN H H 52 8.029 8.029 8.574 -0.545 25142 1442 1 4 . 1 1 53 53 VAL N N 53 121.408 121.408 118.709 2.699 25142 1443 1 4 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.892 -0.079 25142 1444 1 4 . 1 1 53 53 VAL C C 53 176.662 176.662 176.951 -0.289 25142 1445 1 4 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.933 2.221 25142 1446 1 4 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.527 1.075 25142 1447 1 4 . 1 1 53 53 VAL H H 53 8.004 8.004 7.614 0.390 25142 1448 1 4 . 1 1 54 54 LYS N N 54 121.266 121.266 118.649 2.617 25142 1449 1 4 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.129 0.118 25142 1450 1 4 . 1 1 54 54 LYS C C 54 179.996 179.996 178.979 1.017 25142 1451 1 4 . 1 1 54 54 LYS CA C 54 60.004 60.004 58.786 1.218 25142 1452 1 4 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.934 0.668 25142 1453 1 4 . 1 1 54 54 LYS H H 54 8.527 8.527 7.379 1.148 25142 1454 1 4 . 1 1 55 55 ILE N N 55 119.453 119.453 121.641 -2.188 25142 1455 1 4 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.856 0.004 25142 1456 1 4 . 1 1 55 55 ILE C C 55 177.548 177.548 177.605 -0.057 25142 1457 1 4 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.058 -1.120 25142 1458 1 4 . 1 1 55 55 ILE CB C 55 38.223 38.223 38.353 -0.130 25142 1459 1 4 . 1 1 55 55 ILE H H 55 8.748 8.748 8.323 0.425 25142 1460 1 4 . 1 1 56 56 TRP N N 56 122.220 122.220 121.378 0.842 25142 1461 1 4 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.184 -0.277 25142 1462 1 4 . 1 1 56 56 TRP C C 56 180.094 180.094 178.086 2.008 25142 1463 1 4 . 1 1 56 56 TRP CA C 56 63.938 63.938 60.730 3.208 25142 1464 1 4 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.808 -0.438 25142 1465 1 4 . 1 1 56 56 TRP H H 56 8.076 8.076 8.038 0.038 25142 1466 1 4 . 1 1 57 57 PHE N N 57 119.464 119.464 119.289 0.175 25142 1467 1 4 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.969 -0.109 25142 1468 1 4 . 1 1 57 57 PHE C C 57 177.749 177.749 177.272 0.477 25142 1469 1 4 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.780 2.158 25142 1470 1 4 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.154 0.474 25142 1471 1 4 . 1 1 57 57 PHE H H 57 8.859 8.859 7.780 1.079 25142 1472 1 4 . 1 1 58 58 GLN N N 58 118.649 118.649 119.222 -0.573 25142 1473 1 4 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.818 0.185 25142 1474 1 4 . 1 1 58 58 GLN C C 58 178.888 178.888 178.206 0.682 25142 1475 1 4 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.294 0.007 25142 1476 1 4 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.515 0.152 25142 1477 1 4 . 1 1 58 58 GLN H H 58 8.240 8.240 7.745 0.495 25142 1478 1 4 . 1 1 59 59 ASN N N 59 118.104 118.104 117.997 0.107 25142 1479 1 4 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.239 0.078 25142 1480 1 4 . 1 1 59 59 ASN C C 59 177.504 177.504 177.591 -0.087 25142 1481 1 4 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.425 -0.214 25142 1482 1 4 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.021 -0.220 25142 1483 1 4 . 1 1 59 59 ASN H H 59 8.320 8.320 7.852 0.468 25142 1484 1 4 . 1 1 60 60 ARG N N 60 122.957 122.957 118.000 4.957 25142 1485 1 4 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.818 -0.422 25142 1486 1 4 . 1 1 60 60 ARG C C 60 179.229 179.229 178.320 0.909 25142 1487 1 4 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.609 -1.978 25142 1488 1 4 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.835 -1.448 25142 1489 1 4 . 1 1 60 60 ARG H H 60 8.113 8.113 7.406 0.707 25142 1490 1 4 . 1 1 61 61 ARG N N 61 117.860 117.860 119.563 -1.703 25142 1491 1 4 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.045 0.044 25142 1492 1 4 . 1 1 61 61 ARG C C 61 178.883 178.883 178.157 0.726 25142 1493 1 4 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.771 2.092 25142 1494 1 4 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.764 1.151 25142 1495 1 4 . 1 1 61 61 ARG H H 61 7.902 7.902 7.421 0.481 25142 1496 1 4 . 1 1 62 62 MET N N 62 117.859 117.859 118.446 -0.587 25142 1497 1 4 . 1 1 62 62 MET HA H 62 4.263 4.263 4.005 0.258 25142 1498 1 4 . 1 1 62 62 MET C C 62 177.644 177.644 178.753 -1.109 25142 1499 1 4 . 1 1 62 62 MET CA C 62 57.474 57.474 59.066 -1.592 25142 1500 1 4 . 1 1 62 62 MET CB C 62 30.494 30.494 32.307 -1.813 25142 1501 1 4 . 1 1 62 62 MET H H 62 7.535 7.535 8.043 -0.508 25142 1502 1 4 . 1 1 63 63 LYS N N 63 118.415 118.415 119.240 -0.825 25142 1503 1 4 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.005 0.127 25142 1504 1 4 . 1 1 63 63 LYS C C 63 177.090 177.090 178.821 -1.731 25142 1505 1 4 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.839 -1.224 25142 1506 1 4 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.765 1.259 25142 1507 1 4 . 1 1 63 63 LYS H H 63 7.426 7.426 7.774 -0.348 25142 1508 1 4 . 1 1 64 64 MET N N 64 117.987 117.987 116.868 1.119 25142 1509 1 4 . 1 1 64 64 MET HA H 64 4.271 4.271 4.369 -0.098 25142 1510 1 4 . 1 1 64 64 MET C C 64 176.223 176.223 177.229 -1.006 25142 1511 1 4 . 1 1 64 64 MET CA C 64 57.632 57.632 57.760 -0.128 25142 1512 1 4 . 1 1 64 64 MET H H 64 7.538 7.538 7.300 0.238 25142 1513 1 4 . 1 1 65 65 LYS N N 65 120.643 120.643 117.798 2.845 25142 1514 1 4 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.299 -0.000 25142 1515 1 4 . 1 1 65 65 LYS C C 65 175.950 175.950 176.596 -0.646 25142 1516 1 4 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.318 1.314 25142 1517 1 4 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.383 1.641 25142 1518 1 4 . 1 1 65 65 LYS H H 65 7.930 7.930 7.677 0.253 25142 1519 1 4 . 1 1 66 66 LYS N N 66 122.089 122.089 120.072 2.017 25142 1520 1 4 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.162 0.109 25142 1521 1 4 . 1 1 66 66 LYS C C 66 176.302 176.302 176.084 0.218 25142 1522 1 4 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.678 0.813 25142 1523 1 4 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.996 -0.376 25142 1524 1 4 . 1 1 66 66 LYS H H 66 8.172 8.172 7.290 0.882 25142 1525 1 4 . 1 1 67 67 MET N N 67 119.918 119.918 118.059 1.859 25142 1526 1 4 . 1 1 67 67 MET HA H 67 4.765 4.765 4.045 0.720 25142 1527 1 4 . 1 1 67 67 MET C C 67 175.047 175.047 175.834 -0.787 25142 1528 1 4 . 1 1 67 67 MET H H 67 8.056 8.056 7.873 0.183 25142 1529 1 5 . 1 1 2 2 ASN N N 2 125.670 125.670 118.461 7.209 25142 1530 1 5 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.925 -0.788 25142 1531 1 5 . 1 1 2 2 ASN C C 2 170.976 170.976 175.025 -4.049 25142 1532 1 5 . 1 1 2 2 ASN CA C 2 53.812 53.812 52.884 0.928 25142 1533 1 5 . 1 1 2 2 ASN CB C 2 38.888 38.888 39.035 -0.147 25142 1534 1 5 . 1 1 2 2 ASN H H 2 7.926 7.926 8.764 -0.838 25142 1535 1 5 . 1 1 3 3 TRP N N 3 122.562 122.562 126.518 -3.956 25142 1536 1 5 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.146 0.616 25142 1537 1 5 . 1 1 3 3 TRP C C 3 176.062 176.062 175.422 0.640 25142 1538 1 5 . 1 1 3 3 TRP CA C 3 57.970 57.970 61.058 -3.088 25142 1539 1 5 . 1 1 3 3 TRP CB C 3 29.629 29.629 27.454 2.175 25142 1540 1 5 . 1 1 3 3 TRP H H 3 7.920 7.920 8.496 -0.576 25142 1541 1 5 . 1 1 4 4 ILE N N 4 122.339 122.339 114.506 7.833 25142 1542 1 5 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.681 0.490 25142 1543 1 5 . 1 1 4 4 ILE C C 4 175.825 175.825 176.624 -0.799 25142 1544 1 5 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.471 -1.062 25142 1545 1 5 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.154 1.491 25142 1546 1 5 . 1 1 4 4 ILE H H 4 7.893 7.893 7.922 -0.029 25142 1547 1 5 . 1 1 5 5 HIS N N 5 122.699 122.699 120.118 2.581 25142 1548 1 5 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.250 0.278 25142 1549 1 5 . 1 1 5 5 HIS C C 5 175.039 175.039 175.011 0.028 25142 1550 1 5 . 1 1 5 5 HIS CA C 5 56.069 56.069 57.580 -1.511 25142 1551 1 5 . 1 1 5 5 HIS CB C 5 30.634 30.634 30.765 -0.131 25142 1552 1 5 . 1 1 5 5 HIS H H 5 8.015 8.015 7.545 0.470 25142 1553 1 5 . 1 1 6 6 ALA N N 6 125.335 125.335 118.005 7.330 25142 1554 1 5 . 1 1 6 6 ALA HA H 6 4.268 4.268 3.982 0.286 25142 1555 1 5 . 1 1 6 6 ALA C C 6 177.735 177.735 176.951 0.784 25142 1556 1 5 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.798 -0.101 25142 1557 1 5 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.392 0.861 25142 1558 1 5 . 1 1 6 6 ALA H H 6 8.183 8.183 8.491 -0.308 25142 1559 1 5 . 1 1 7 7 ARG N N 7 120.137 120.137 122.687 -2.550 25142 1560 1 5 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.179 0.112 25142 1561 1 5 . 1 1 7 7 ARG C C 7 176.556 176.556 176.368 0.188 25142 1562 1 5 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.399 0.827 25142 1563 1 5 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.644 0.289 25142 1564 1 5 . 1 1 7 7 ARG H H 7 8.399 8.399 8.393 0.006 25142 1565 1 5 . 1 1 9 9 THR N N 9 115.696 115.696 116.281 -0.585 25142 1566 1 5 . 1 1 9 9 THR HA H 9 4.311 4.311 4.442 -0.131 25142 1567 1 5 . 1 1 9 9 THR C C 9 174.493 174.493 173.898 0.595 25142 1568 1 5 . 1 1 9 9 THR CA C 9 61.970 61.970 62.017 -0.047 25142 1569 1 5 . 1 1 9 9 THR CB C 9 69.840 69.840 68.890 0.950 25142 1570 1 5 . 1 1 9 9 THR H H 9 8.081 8.081 8.300 -0.219 25142 1571 1 5 . 1 1 10 10 ARG N N 10 123.599 123.599 122.187 1.412 25142 1572 1 5 . 1 1 10 10 ARG HA H 10 4.313 4.313 3.990 0.323 25142 1573 1 5 . 1 1 10 10 ARG C C 10 176.173 176.173 174.973 1.200 25142 1574 1 5 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.894 -0.667 25142 1575 1 5 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.280 0.653 25142 1576 1 5 . 1 1 10 10 ARG H H 10 8.275 8.275 8.479 -0.204 25142 1577 1 5 . 1 1 11 11 LYS N N 11 123.132 123.132 122.665 0.467 25142 1578 1 5 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.521 -0.223 25142 1579 1 5 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.020 0.628 25142 1580 1 5 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.980 0.202 25142 1581 1 5 . 1 1 11 11 LYS H H 11 8.334 8.334 8.347 -0.013 25142 1582 1 5 . 1 1 12 12 LYS N N 12 123.229 123.229 125.071 -1.842 25142 1583 1 5 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.741 -0.487 25142 1584 1 5 . 1 1 12 12 LYS C C 12 176.124 176.124 176.606 -0.482 25142 1585 1 5 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.766 0.865 25142 1586 1 5 . 1 1 12 12 LYS CB C 12 33.164 33.164 34.005 -0.841 25142 1587 1 5 . 1 1 12 12 LYS H H 12 8.357 8.357 8.681 -0.324 25142 1588 1 5 . 1 1 13 13 ARG N N 13 123.166 123.166 120.804 2.362 25142 1589 1 5 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.516 -0.199 25142 1590 1 5 . 1 1 13 13 ARG C C 13 175.831 175.831 176.236 -0.405 25142 1591 1 5 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.493 -1.283 25142 1592 1 5 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.641 -0.568 25142 1593 1 5 . 1 1 13 13 ARG H H 13 8.439 8.439 8.801 -0.362 25142 1594 1 5 . 1 1 14 14 CYS N N 14 123.412 123.412 118.425 4.987 25142 1595 1 5 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.944 -0.330 25142 1596 1 5 . 1 1 14 14 CYS CA C 14 56.771 56.771 56.675 0.096 25142 1597 1 5 . 1 1 14 14 CYS H H 14 8.542 8.542 8.175 0.367 25142 1598 1 5 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.386 -0.053 25142 1599 1 5 . 1 1 15 15 PRO C C 15 175.713 175.713 175.944 -0.231 25142 1600 1 5 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.356 0.442 25142 1601 1 5 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.796 0.244 25142 1602 1 5 . 1 1 16 16 TYR N N 16 116.961 116.961 119.295 -2.334 25142 1603 1 5 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.606 0.319 25142 1604 1 5 . 1 1 16 16 TYR C C 16 176.803 176.803 176.576 0.227 25142 1605 1 5 . 1 1 16 16 TYR CA C 16 56.583 56.583 59.076 -2.493 25142 1606 1 5 . 1 1 16 16 TYR CB C 16 40.045 40.045 37.973 2.072 25142 1607 1 5 . 1 1 16 16 TYR H H 16 7.539 7.539 7.888 -0.349 25142 1608 1 5 . 1 1 17 17 THR N N 17 115.107 115.107 118.726 -3.619 25142 1609 1 5 . 1 1 17 17 THR HA H 17 4.469 4.469 4.666 -0.197 25142 1610 1 5 . 1 1 17 17 THR C C 17 175.593 175.593 175.653 -0.060 25142 1611 1 5 . 1 1 17 17 THR CA C 17 60.987 60.987 60.325 0.662 25142 1612 1 5 . 1 1 17 17 THR CB C 17 71.240 71.240 70.866 0.374 25142 1613 1 5 . 1 1 17 17 THR H H 17 9.305 9.305 8.167 1.138 25142 1614 1 5 . 1 1 18 18 LYS N N 18 123.297 123.297 122.066 1.231 25142 1615 1 5 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.061 0.030 25142 1616 1 5 . 1 1 18 18 LYS C C 18 178.363 178.363 178.451 -0.088 25142 1617 1 5 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.304 0.700 25142 1618 1 5 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.898 0.143 25142 1619 1 5 . 1 1 18 18 LYS H H 18 8.990 8.990 8.886 0.104 25142 1620 1 5 . 1 1 19 19 TYR N N 19 118.372 118.372 120.798 -2.426 25142 1621 1 5 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.101 0.070 25142 1622 1 5 . 1 1 19 19 TYR C C 19 176.959 176.959 177.204 -0.245 25142 1623 1 5 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.965 -0.556 25142 1624 1 5 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.836 -0.034 25142 1625 1 5 . 1 1 19 19 TYR H H 19 8.334 8.334 7.676 0.658 25142 1626 1 5 . 1 1 20 20 GLN N N 20 116.238 116.238 117.547 -1.309 25142 1627 1 5 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.940 -0.404 25142 1628 1 5 . 1 1 20 20 GLN C C 20 177.491 177.491 178.063 -0.572 25142 1629 1 5 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.335 -0.034 25142 1630 1 5 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.296 -0.191 25142 1631 1 5 . 1 1 20 20 GLN H H 20 7.771 7.771 8.430 -0.659 25142 1632 1 5 . 1 1 21 21 THR N N 21 112.943 112.943 114.794 -1.851 25142 1633 1 5 . 1 1 21 21 THR HA H 21 3.401 3.401 4.146 -0.745 25142 1634 1 5 . 1 1 21 21 THR C C 21 175.530 175.530 176.274 -0.744 25142 1635 1 5 . 1 1 21 21 THR CA C 21 67.451 67.451 65.610 1.841 25142 1636 1 5 . 1 1 21 21 THR CB C 21 68.856 68.856 68.834 0.022 25142 1637 1 5 . 1 1 21 21 THR H H 21 8.468 8.468 7.973 0.495 25142 1638 1 5 . 1 1 22 22 LEU N N 22 121.513 121.513 120.406 1.107 25142 1639 1 5 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.514 -0.535 25142 1640 1 5 . 1 1 22 22 LEU C C 22 180.452 180.452 178.076 2.376 25142 1641 1 5 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.899 0.137 25142 1642 1 5 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.320 0.557 25142 1643 1 5 . 1 1 22 22 LEU H H 22 8.054 8.054 7.403 0.651 25142 1644 1 5 . 1 1 23 23 GLU N N 23 118.464 118.464 118.241 0.223 25142 1645 1 5 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.068 -0.232 25142 1646 1 5 . 1 1 23 23 GLU C C 23 179.824 179.824 179.073 0.751 25142 1647 1 5 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.437 0.161 25142 1648 1 5 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.389 1.543 25142 1649 1 5 . 1 1 23 23 GLU H H 23 7.732 7.732 7.573 0.159 25142 1650 1 5 . 1 1 24 24 LEU N N 24 124.210 124.210 119.370 4.840 25142 1651 1 5 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.074 -0.562 25142 1652 1 5 . 1 1 24 24 LEU C C 24 177.592 177.592 179.774 -2.182 25142 1653 1 5 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.793 0.665 25142 1654 1 5 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.926 -4.407 25142 1655 1 5 . 1 1 24 24 LEU H H 24 8.335 8.335 7.530 0.805 25142 1656 1 5 . 1 1 25 25 GLU N N 25 119.137 119.137 118.290 0.847 25142 1657 1 5 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.363 -0.116 25142 1658 1 5 . 1 1 25 25 GLU C C 25 179.021 179.021 178.584 0.437 25142 1659 1 5 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.951 1.052 25142 1660 1 5 . 1 1 25 25 GLU CB C 25 28.668 28.668 28.940 -0.272 25142 1661 1 5 . 1 1 25 25 GLU H H 25 7.912 7.912 8.337 -0.425 25142 1662 1 5 . 1 1 26 26 LYS N N 26 118.579 118.579 118.195 0.384 25142 1663 1 5 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.330 -0.413 25142 1664 1 5 . 1 1 26 26 LYS C C 26 179.351 179.351 178.542 0.809 25142 1665 1 5 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.930 2.073 25142 1666 1 5 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.422 0.180 25142 1667 1 5 . 1 1 26 26 LYS H H 26 7.537 7.537 7.580 -0.043 25142 1668 1 5 . 1 1 27 27 GLU N N 27 120.048 120.048 119.651 0.397 25142 1669 1 5 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.265 -0.120 25142 1670 1 5 . 1 1 27 27 GLU C C 27 178.189 178.189 178.660 -0.471 25142 1671 1 5 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.129 0.891 25142 1672 1 5 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.099 -0.572 25142 1673 1 5 . 1 1 27 27 GLU H H 27 7.849 7.849 7.675 0.174 25142 1674 1 5 . 1 1 28 28 PHE N N 28 122.074 122.074 119.191 2.883 25142 1675 1 5 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.248 0.110 25142 1676 1 5 . 1 1 28 28 PHE C C 28 176.148 176.148 178.025 -1.877 25142 1677 1 5 . 1 1 28 28 PHE CA C 28 61.830 61.830 61.386 0.445 25142 1678 1 5 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.791 0.556 25142 1679 1 5 . 1 1 28 28 PHE H H 28 8.893 8.893 7.516 1.377 25142 1680 1 5 . 1 1 29 29 LEU N N 29 115.649 115.649 119.755 -4.106 25142 1681 1 5 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.005 -0.042 25142 1682 1 5 . 1 1 29 29 LEU C C 29 179.362 179.362 178.028 1.334 25142 1683 1 5 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.472 -0.122 25142 1684 1 5 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.962 0.794 25142 1685 1 5 . 1 1 29 29 LEU H H 29 7.919 7.919 7.630 0.289 25142 1686 1 5 . 1 1 30 30 PHE N N 30 119.314 119.314 120.654 -1.340 25142 1687 1 5 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.046 0.399 25142 1688 1 5 . 1 1 30 30 PHE C C 30 176.451 176.451 176.607 -0.156 25142 1689 1 5 . 1 1 30 30 PHE CA C 30 59.582 59.582 61.015 -1.433 25142 1690 1 5 . 1 1 30 30 PHE CB C 30 39.628 39.628 39.048 0.580 25142 1691 1 5 . 1 1 30 30 PHE H H 30 7.584 7.584 8.107 -0.523 25142 1692 1 5 . 1 1 31 31 ASN N N 31 116.457 116.457 117.798 -1.341 25142 1693 1 5 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.471 0.121 25142 1694 1 5 . 1 1 31 31 ASN C C 31 173.302 173.302 176.305 -3.003 25142 1695 1 5 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.751 -1.790 25142 1696 1 5 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.523 0.824 25142 1697 1 5 . 1 1 31 31 ASN H H 31 8.375 8.375 8.015 0.360 25142 1698 1 5 . 1 1 32 32 MET N N 32 121.247 121.247 116.343 4.904 25142 1699 1 5 . 1 1 32 32 MET HA H 32 3.761 3.761 4.427 -0.666 25142 1700 1 5 . 1 1 32 32 MET C C 32 174.112 174.112 176.302 -2.190 25142 1701 1 5 . 1 1 32 32 MET CA C 32 57.474 57.474 58.140 -0.666 25142 1702 1 5 . 1 1 32 32 MET CB C 32 33.586 33.586 35.013 -1.427 25142 1703 1 5 . 1 1 32 32 MET H H 32 8.185 8.185 7.485 0.700 25142 1704 1 5 . 1 1 33 33 TYR N N 33 115.333 115.333 117.667 -2.334 25142 1705 1 5 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.426 0.251 25142 1706 1 5 . 1 1 33 33 TYR C C 33 175.017 175.017 173.929 1.088 25142 1707 1 5 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.415 -1.222 25142 1708 1 5 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.255 -0.065 25142 1709 1 5 . 1 1 33 33 TYR H H 33 7.758 7.758 7.813 -0.055 25142 1710 1 5 . 1 1 34 34 LEU N N 34 122.393 122.393 124.954 -2.561 25142 1711 1 5 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.707 -0.115 25142 1712 1 5 . 1 1 34 34 LEU C C 34 178.373 178.373 175.041 3.332 25142 1713 1 5 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.350 -0.389 25142 1714 1 5 . 1 1 34 34 LEU CB C 34 43.844 43.844 44.554 -0.710 25142 1715 1 5 . 1 1 34 34 LEU H H 34 8.293 8.293 7.913 0.380 25142 1716 1 5 . 1 1 35 35 THR N N 35 113.078 113.078 114.417 -1.339 25142 1717 1 5 . 1 1 35 35 THR HA H 35 4.445 4.445 4.620 -0.175 25142 1718 1 5 . 1 1 35 35 THR C C 35 175.115 175.115 175.490 -0.375 25142 1719 1 5 . 1 1 35 35 THR CA C 35 59.582 59.582 60.132 -0.550 25142 1720 1 5 . 1 1 35 35 THR CB C 35 70.823 70.823 70.641 0.182 25142 1721 1 5 . 1 1 35 35 THR H H 35 7.729 7.729 8.252 -0.523 25142 1722 1 5 . 1 1 36 36 ARG N N 36 122.118 122.118 126.321 -4.203 25142 1723 1 5 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.036 -0.207 25142 1724 1 5 . 1 1 36 36 ARG C C 36 178.596 178.596 177.606 0.990 25142 1725 1 5 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.485 0.659 25142 1726 1 5 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.353 -1.264 25142 1727 1 5 . 1 1 36 36 ARG H H 36 8.951 8.951 8.951 0.000 25142 1728 1 5 . 1 1 37 37 ASP N N 37 116.410 116.410 118.264 -1.854 25142 1729 1 5 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.385 0.041 25142 1730 1 5 . 1 1 37 37 ASP C C 37 178.603 178.603 178.380 0.223 25142 1731 1 5 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.142 -0.387 25142 1732 1 5 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.499 -0.309 25142 1733 1 5 . 1 1 37 37 ASP H H 37 8.454 8.454 7.876 0.578 25142 1734 1 5 . 1 1 38 38 ARG N N 38 121.073 121.073 120.252 0.821 25142 1735 1 5 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.379 -0.162 25142 1736 1 5 . 1 1 38 38 ARG C C 38 177.751 177.751 178.145 -0.394 25142 1737 1 5 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.458 -0.844 25142 1738 1 5 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.018 -0.086 25142 1739 1 5 . 1 1 38 38 ARG H H 38 7.795 7.795 7.817 -0.022 25142 1740 1 5 . 1 1 39 39 ARG N N 39 119.603 119.603 118.902 0.701 25142 1741 1 5 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.190 -0.516 25142 1742 1 5 . 1 1 39 39 ARG C C 39 177.405 177.405 179.344 -1.939 25142 1743 1 5 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.376 0.909 25142 1744 1 5 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.998 0.075 25142 1745 1 5 . 1 1 39 39 ARG H H 39 8.650 8.650 7.633 1.017 25142 1746 1 5 . 1 1 40 40 TYR N N 40 116.995 116.995 121.185 -4.190 25142 1747 1 5 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.172 -0.101 25142 1748 1 5 . 1 1 40 40 TYR C C 40 177.632 177.632 176.713 0.919 25142 1749 1 5 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.946 1.446 25142 1750 1 5 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.639 -0.838 25142 1751 1 5 . 1 1 40 40 TYR H H 40 7.893 7.893 8.266 -0.373 25142 1752 1 5 . 1 1 41 41 GLU N N 41 120.324 120.324 118.463 1.861 25142 1753 1 5 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.741 0.398 25142 1754 1 5 . 1 1 41 41 GLU C C 41 178.263 178.263 179.159 -0.896 25142 1755 1 5 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.295 -1.259 25142 1756 1 5 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.368 0.705 25142 1757 1 5 . 1 1 41 41 GLU H H 41 7.687 7.687 7.920 -0.233 25142 1758 1 5 . 1 1 42 42 VAL N N 42 120.030 120.030 115.228 4.802 25142 1759 1 5 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.022 -0.501 25142 1760 1 5 . 1 1 42 42 VAL C C 42 177.248 177.248 177.208 0.040 25142 1761 1 5 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.804 1.382 25142 1762 1 5 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.006 1.596 25142 1763 1 5 . 1 1 42 42 VAL H H 42 8.675 8.675 8.297 0.378 25142 1764 1 5 . 1 1 43 43 ALA N N 43 119.887 119.887 121.728 -1.841 25142 1765 1 5 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.105 -0.537 25142 1766 1 5 . 1 1 43 43 ALA C C 43 179.037 179.037 178.969 0.068 25142 1767 1 5 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.495 1.575 25142 1768 1 5 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.563 -1.137 25142 1769 1 5 . 1 1 43 43 ALA H H 43 8.026 8.026 7.406 0.620 25142 1770 1 5 . 1 1 44 44 ARG N N 44 116.238 116.238 117.348 -1.110 25142 1771 1 5 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.025 -0.024 25142 1772 1 5 . 1 1 44 44 ARG C C 44 180.290 180.290 178.150 2.140 25142 1773 1 5 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.846 0.455 25142 1774 1 5 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.400 -0.327 25142 1775 1 5 . 1 1 44 44 ARG H H 44 7.771 7.771 7.408 0.363 25142 1776 1 5 . 1 1 45 45 VAL N N 45 118.391 118.391 115.522 2.869 25142 1777 1 5 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.012 -0.202 25142 1778 1 5 . 1 1 45 45 VAL C C 45 177.986 177.986 176.273 1.713 25142 1779 1 5 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.864 0.339 25142 1780 1 5 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.004 0.598 25142 1781 1 5 . 1 1 45 45 VAL H H 45 8.250 8.250 7.500 0.750 25142 1782 1 5 . 1 1 46 46 LEU N N 46 116.008 116.008 121.316 -5.308 25142 1783 1 5 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.453 0.054 25142 1784 1 5 . 1 1 46 46 LEU C C 46 176.657 176.657 176.800 -0.143 25142 1785 1 5 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.553 0.111 25142 1786 1 5 . 1 1 46 46 LEU CB C 46 42.175 42.175 40.837 1.338 25142 1787 1 5 . 1 1 46 46 LEU H H 46 7.896 7.896 7.507 0.389 25142 1788 1 5 . 1 1 47 47 ASN N N 47 117.881 117.881 115.225 2.656 25142 1789 1 5 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.318 0.123 25142 1790 1 5 . 1 1 47 47 ASN C C 47 173.788 173.788 173.761 0.027 25142 1791 1 5 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.309 0.495 25142 1792 1 5 . 1 1 47 47 ASN CB C 47 36.818 36.818 37.175 -0.356 25142 1793 1 5 . 1 1 47 47 ASN H H 47 7.992 7.992 7.614 0.378 25142 1794 1 5 . 1 1 48 48 LEU N N 48 119.211 119.211 114.429 4.782 25142 1795 1 5 . 1 1 48 48 LEU HA H 48 4.877 4.877 5.072 -0.195 25142 1796 1 5 . 1 1 48 48 LEU C C 48 176.505 176.505 176.255 0.250 25142 1797 1 5 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.864 -0.032 25142 1798 1 5 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.892 3.027 25142 1799 1 5 . 1 1 48 48 LEU H H 48 8.517 8.517 7.908 0.609 25142 1800 1 5 . 1 1 49 49 THR N N 49 109.223 109.223 114.275 -5.052 25142 1801 1 5 . 1 1 49 49 THR HA H 49 4.648 4.648 4.633 0.015 25142 1802 1 5 . 1 1 49 49 THR C C 49 176.663 176.663 175.516 1.147 25142 1803 1 5 . 1 1 49 49 THR CA C 49 60.566 60.566 60.781 -0.215 25142 1804 1 5 . 1 1 49 49 THR CB C 49 70.824 70.824 70.915 -0.090 25142 1805 1 5 . 1 1 49 49 THR H H 49 8.694 8.694 8.267 0.427 25142 1806 1 5 . 1 1 50 50 GLU N N 50 121.200 121.200 122.621 -1.421 25142 1807 1 5 . 1 1 50 50 GLU HA H 50 3.653 3.653 3.981 -0.328 25142 1808 1 5 . 1 1 50 50 GLU C C 50 178.500 178.500 178.753 -0.253 25142 1809 1 5 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.016 0.971 25142 1810 1 5 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.630 0.302 25142 1811 1 5 . 1 1 50 50 GLU H H 50 9.184 9.184 8.882 0.302 25142 1812 1 5 . 1 1 51 51 ARG N N 51 119.168 119.168 118.302 0.866 25142 1813 1 5 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.124 -0.121 25142 1814 1 5 . 1 1 51 51 ARG C C 51 177.979 177.979 178.346 -0.367 25142 1815 1 5 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.017 1.284 25142 1816 1 5 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.877 0.197 25142 1817 1 5 . 1 1 51 51 ARG H H 51 8.220 8.220 8.137 0.083 25142 1818 1 5 . 1 1 52 52 GLN N N 52 117.548 117.548 120.224 -2.676 25142 1819 1 5 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.185 -0.096 25142 1820 1 5 . 1 1 52 52 GLN C C 52 180.689 180.689 178.291 2.398 25142 1821 1 5 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.448 0.415 25142 1822 1 5 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.209 2.004 25142 1823 1 5 . 1 1 52 52 GLN H H 52 8.029 8.029 8.582 -0.553 25142 1824 1 5 . 1 1 53 53 VAL N N 53 121.408 121.408 118.439 2.969 25142 1825 1 5 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.644 0.169 25142 1826 1 5 . 1 1 53 53 VAL C C 53 176.662 176.662 177.890 -1.228 25142 1827 1 5 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.349 1.805 25142 1828 1 5 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.428 1.174 25142 1829 1 5 . 1 1 53 53 VAL H H 53 8.004 8.004 7.775 0.229 25142 1830 1 5 . 1 1 54 54 LYS N N 54 121.266 121.266 120.265 1.001 25142 1831 1 5 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.066 0.181 25142 1832 1 5 . 1 1 54 54 LYS C C 54 179.996 179.996 179.191 0.805 25142 1833 1 5 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.210 0.794 25142 1834 1 5 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.280 0.322 25142 1835 1 5 . 1 1 54 54 LYS H H 54 8.527 8.527 7.426 1.101 25142 1836 1 5 . 1 1 55 55 ILE N N 55 119.453 119.453 120.213 -0.760 25142 1837 1 5 . 1 1 55 55 ILE HA H 55 3.860 3.860 4.022 -0.162 25142 1838 1 5 . 1 1 55 55 ILE C C 55 177.548 177.548 178.155 -0.607 25142 1839 1 5 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.217 -1.279 25142 1840 1 5 . 1 1 55 55 ILE CB C 55 38.223 38.223 38.015 0.208 25142 1841 1 5 . 1 1 55 55 ILE H H 55 8.748 8.748 8.446 0.302 25142 1842 1 5 . 1 1 56 56 TRP N N 56 122.220 122.220 121.684 0.536 25142 1843 1 5 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.248 -0.342 25142 1844 1 5 . 1 1 56 56 TRP C C 56 180.094 180.094 178.090 2.004 25142 1845 1 5 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.631 2.307 25142 1846 1 5 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.575 -0.205 25142 1847 1 5 . 1 1 56 56 TRP H H 56 8.076 8.076 8.170 -0.094 25142 1848 1 5 . 1 1 57 57 PHE N N 57 119.464 119.464 118.867 0.597 25142 1849 1 5 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.712 0.148 25142 1850 1 5 . 1 1 57 57 PHE C C 57 177.749 177.749 177.280 0.469 25142 1851 1 5 . 1 1 57 57 PHE CA C 57 63.938 63.938 60.852 3.086 25142 1852 1 5 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.330 0.298 25142 1853 1 5 . 1 1 57 57 PHE H H 57 8.859 8.859 7.811 1.048 25142 1854 1 5 . 1 1 58 58 GLN N N 58 118.649 118.649 119.802 -1.153 25142 1855 1 5 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.800 0.203 25142 1856 1 5 . 1 1 58 58 GLN C C 58 178.888 178.888 178.217 0.671 25142 1857 1 5 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.394 -0.093 25142 1858 1 5 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.544 0.122 25142 1859 1 5 . 1 1 58 58 GLN H H 58 8.240 8.240 8.281 -0.041 25142 1860 1 5 . 1 1 59 59 ASN N N 59 118.104 118.104 117.800 0.304 25142 1861 1 5 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.277 0.040 25142 1862 1 5 . 1 1 59 59 ASN C C 59 177.504 177.504 177.492 0.012 25142 1863 1 5 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.300 -0.090 25142 1864 1 5 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.210 -0.409 25142 1865 1 5 . 1 1 59 59 ASN H H 59 8.320 8.320 7.850 0.470 25142 1866 1 5 . 1 1 60 60 ARG N N 60 122.957 122.957 119.511 3.446 25142 1867 1 5 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.768 -0.372 25142 1868 1 5 . 1 1 60 60 ARG C C 60 179.229 179.229 178.310 0.919 25142 1869 1 5 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.247 -1.616 25142 1870 1 5 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.568 -1.181 25142 1871 1 5 . 1 1 60 60 ARG H H 60 8.113 8.113 7.321 0.792 25142 1872 1 5 . 1 1 61 61 ARG N N 61 117.860 117.860 117.822 0.038 25142 1873 1 5 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.044 0.045 25142 1874 1 5 . 1 1 61 61 ARG C C 61 178.883 178.883 178.288 0.595 25142 1875 1 5 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.181 2.682 25142 1876 1 5 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.939 0.976 25142 1877 1 5 . 1 1 61 61 ARG H H 61 7.902 7.902 7.307 0.595 25142 1878 1 5 . 1 1 62 62 MET N N 62 117.859 117.859 118.884 -1.025 25142 1879 1 5 . 1 1 62 62 MET HA H 62 4.263 4.263 3.889 0.374 25142 1880 1 5 . 1 1 62 62 MET C C 62 177.644 177.644 178.150 -0.506 25142 1881 1 5 . 1 1 62 62 MET CA C 62 57.474 57.474 59.498 -2.024 25142 1882 1 5 . 1 1 62 62 MET CB C 62 30.494 30.494 32.057 -1.563 25142 1883 1 5 . 1 1 62 62 MET H H 62 7.535 7.535 7.800 -0.265 25142 1884 1 5 . 1 1 63 63 LYS N N 63 118.415 118.415 116.637 1.778 25142 1885 1 5 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.017 0.115 25142 1886 1 5 . 1 1 63 63 LYS C C 63 177.090 177.090 178.995 -1.905 25142 1887 1 5 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.702 -1.087 25142 1888 1 5 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.879 1.145 25142 1889 1 5 . 1 1 63 63 LYS H H 63 7.426 7.426 7.533 -0.107 25142 1890 1 5 . 1 1 64 64 MET N N 64 117.987 117.987 117.618 0.369 25142 1891 1 5 . 1 1 64 64 MET HA H 64 4.271 4.271 4.430 -0.159 25142 1892 1 5 . 1 1 64 64 MET C C 64 176.223 176.223 177.625 -1.402 25142 1893 1 5 . 1 1 64 64 MET CA C 64 57.632 57.632 57.718 -0.086 25142 1894 1 5 . 1 1 64 64 MET H H 64 7.538 7.538 7.631 -0.093 25142 1895 1 5 . 1 1 65 65 LYS N N 65 120.643 120.643 118.016 2.627 25142 1896 1 5 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.170 0.129 25142 1897 1 5 . 1 1 65 65 LYS C C 65 175.950 175.950 177.381 -1.431 25142 1898 1 5 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.097 0.535 25142 1899 1 5 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.877 1.147 25142 1900 1 5 . 1 1 65 65 LYS H H 65 7.930 7.930 7.792 0.138 25142 1901 1 5 . 1 1 66 66 LYS N N 66 122.089 122.089 117.746 4.343 25142 1902 1 5 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.380 -0.109 25142 1903 1 5 . 1 1 66 66 LYS C C 66 176.302 176.302 176.166 0.136 25142 1904 1 5 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.026 2.465 25142 1905 1 5 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.372 0.248 25142 1906 1 5 . 1 1 66 66 LYS H H 66 8.172 8.172 7.473 0.699 25142 1907 1 5 . 1 1 67 67 MET N N 67 119.918 119.918 120.056 -0.138 25142 1908 1 5 . 1 1 67 67 MET HA H 67 4.765 4.765 4.517 0.248 25142 1909 1 5 . 1 1 67 67 MET C C 67 175.047 175.047 174.669 0.378 25142 1910 1 5 . 1 1 67 67 MET H H 67 8.056 8.056 7.387 0.669 25142 1911 1 6 . 1 1 2 2 ASN N N 2 125.670 125.670 116.970 8.700 25142 1912 1 6 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.173 -0.036 25142 1913 1 6 . 1 1 2 2 ASN C C 2 170.976 170.976 176.286 -5.310 25142 1914 1 6 . 1 1 2 2 ASN CA C 2 53.812 53.812 56.061 -2.249 25142 1915 1 6 . 1 1 2 2 ASN CB C 2 38.888 38.888 37.296 1.592 25142 1916 1 6 . 1 1 2 2 ASN H H 2 7.926 7.926 8.241 -0.315 25142 1917 1 6 . 1 1 3 3 TRP N N 3 122.562 122.562 118.677 3.885 25142 1918 1 6 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.428 0.334 25142 1919 1 6 . 1 1 3 3 TRP C C 3 176.062 176.062 177.428 -1.366 25142 1920 1 6 . 1 1 3 3 TRP CA C 3 57.970 57.970 59.043 -1.073 25142 1921 1 6 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.222 0.407 25142 1922 1 6 . 1 1 3 3 TRP H H 3 7.920 7.920 7.711 0.209 25142 1923 1 6 . 1 1 4 4 ILE N N 4 122.339 122.339 115.508 6.831 25142 1924 1 6 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.013 0.158 25142 1925 1 6 . 1 1 4 4 ILE C C 4 175.825 175.825 175.638 0.187 25142 1926 1 6 . 1 1 4 4 ILE CA C 4 61.409 61.409 61.225 0.184 25142 1927 1 6 . 1 1 4 4 ILE CB C 4 38.645 38.645 39.070 -0.425 25142 1928 1 6 . 1 1 4 4 ILE H H 4 7.893 7.893 6.618 1.275 25142 1929 1 6 . 1 1 5 5 HIS N N 5 122.699 122.699 118.857 3.842 25142 1930 1 6 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.639 -0.111 25142 1931 1 6 . 1 1 5 5 HIS C C 5 175.039 175.039 173.874 1.165 25142 1932 1 6 . 1 1 5 5 HIS CA C 5 56.069 56.069 54.975 1.094 25142 1933 1 6 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.382 1.252 25142 1934 1 6 . 1 1 5 5 HIS H H 5 8.015 8.015 7.548 0.468 25142 1935 1 6 . 1 1 6 6 ALA N N 6 125.335 125.335 125.866 -0.531 25142 1936 1 6 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.381 -0.113 25142 1937 1 6 . 1 1 6 6 ALA C C 6 177.735 177.735 176.609 1.126 25142 1938 1 6 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.597 0.100 25142 1939 1 6 . 1 1 6 6 ALA CB C 6 19.253 19.253 19.667 -0.414 25142 1940 1 6 . 1 1 6 6 ALA H H 6 8.183 8.183 7.881 0.302 25142 1941 1 6 . 1 1 7 7 ARG N N 7 120.137 120.137 120.049 0.088 25142 1942 1 6 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.448 -0.157 25142 1943 1 6 . 1 1 7 7 ARG C C 7 176.556 176.556 175.613 0.943 25142 1944 1 6 . 1 1 7 7 ARG CA C 7 56.226 56.226 57.010 -0.784 25142 1945 1 6 . 1 1 7 7 ARG CB C 7 30.933 30.933 31.064 -0.131 25142 1946 1 6 . 1 1 7 7 ARG H H 7 8.399 8.399 8.594 -0.195 25142 1947 1 6 . 1 1 9 9 THR N N 9 115.696 115.696 114.628 1.068 25142 1948 1 6 . 1 1 9 9 THR HA H 9 4.311 4.311 4.425 -0.114 25142 1949 1 6 . 1 1 9 9 THR C C 9 174.493 174.493 173.498 0.995 25142 1950 1 6 . 1 1 9 9 THR CA C 9 61.970 61.970 61.915 0.055 25142 1951 1 6 . 1 1 9 9 THR CB C 9 69.840 69.840 70.173 -0.333 25142 1952 1 6 . 1 1 9 9 THR H H 9 8.081 8.081 8.323 -0.242 25142 1953 1 6 . 1 1 10 10 ARG N N 10 123.599 123.599 122.701 0.898 25142 1954 1 6 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.320 -0.007 25142 1955 1 6 . 1 1 10 10 ARG C C 10 176.173 176.173 174.994 1.179 25142 1956 1 6 . 1 1 10 10 ARG CA C 10 56.227 56.227 57.034 -0.807 25142 1957 1 6 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.357 0.577 25142 1958 1 6 . 1 1 10 10 ARG H H 10 8.275 8.275 8.619 -0.344 25142 1959 1 6 . 1 1 11 11 LYS N N 11 123.132 123.132 125.191 -2.059 25142 1960 1 6 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.519 -0.221 25142 1961 1 6 . 1 1 11 11 LYS CA C 11 56.648 56.648 55.640 1.008 25142 1962 1 6 . 1 1 11 11 LYS CB C 11 33.181 33.181 34.044 -0.863 25142 1963 1 6 . 1 1 11 11 LYS H H 11 8.334 8.334 8.437 -0.103 25142 1964 1 6 . 1 1 12 12 LYS N N 12 123.229 123.229 120.604 2.625 25142 1965 1 6 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.362 -0.108 25142 1966 1 6 . 1 1 12 12 LYS C C 12 176.124 176.124 176.576 -0.452 25142 1967 1 6 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.327 0.304 25142 1968 1 6 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.350 -0.186 25142 1969 1 6 . 1 1 12 12 LYS H H 12 8.357 8.357 8.363 -0.006 25142 1970 1 6 . 1 1 13 13 ARG N N 13 123.166 123.166 120.060 3.106 25142 1971 1 6 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.472 -0.155 25142 1972 1 6 . 1 1 13 13 ARG C C 13 175.831 175.831 174.730 1.101 25142 1973 1 6 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.385 -1.175 25142 1974 1 6 . 1 1 13 13 ARG CB C 13 30.073 30.073 29.888 0.185 25142 1975 1 6 . 1 1 13 13 ARG H H 13 8.439 8.439 8.738 -0.299 25142 1976 1 6 . 1 1 14 14 CYS N N 14 123.412 123.412 119.654 3.758 25142 1977 1 6 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.702 -0.088 25142 1978 1 6 . 1 1 14 14 CYS CA C 14 56.771 56.771 59.922 -3.151 25142 1979 1 6 . 1 1 14 14 CYS H H 14 8.542 8.542 8.740 -0.198 25142 1980 1 6 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.516 -0.183 25142 1981 1 6 . 1 1 15 15 PRO C C 15 175.713 175.713 175.906 -0.193 25142 1982 1 6 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.329 0.469 25142 1983 1 6 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.314 0.726 25142 1984 1 6 . 1 1 16 16 TYR N N 16 116.961 116.961 120.606 -3.645 25142 1985 1 6 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.364 0.561 25142 1986 1 6 . 1 1 16 16 TYR C C 16 176.803 176.803 176.570 0.233 25142 1987 1 6 . 1 1 16 16 TYR CA C 16 56.583 56.583 58.910 -2.327 25142 1988 1 6 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.485 1.560 25142 1989 1 6 . 1 1 16 16 TYR H H 16 7.539 7.539 7.912 -0.373 25142 1990 1 6 . 1 1 17 17 THR N N 17 115.107 115.107 116.497 -1.390 25142 1991 1 6 . 1 1 17 17 THR HA H 17 4.469 4.469 4.642 -0.173 25142 1992 1 6 . 1 1 17 17 THR C C 17 175.593 175.593 175.806 -0.213 25142 1993 1 6 . 1 1 17 17 THR CA C 17 60.987 60.987 60.320 0.667 25142 1994 1 6 . 1 1 17 17 THR CB C 17 71.240 71.240 70.768 0.472 25142 1995 1 6 . 1 1 17 17 THR H H 17 9.305 9.305 8.035 1.270 25142 1996 1 6 . 1 1 18 18 LYS N N 18 123.297 123.297 118.492 4.805 25142 1997 1 6 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.230 -0.139 25142 1998 1 6 . 1 1 18 18 LYS C C 18 178.363 178.363 178.091 0.272 25142 1999 1 6 . 1 1 18 18 LYS CA C 18 60.004 60.004 58.471 1.533 25142 2000 1 6 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.641 0.399 25142 2001 1 6 . 1 1 18 18 LYS H H 18 8.990 8.990 8.832 0.158 25142 2002 1 6 . 1 1 19 19 TYR N N 19 118.372 118.372 122.403 -4.031 25142 2003 1 6 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.214 -0.043 25142 2004 1 6 . 1 1 19 19 TYR C C 19 176.959 176.959 177.243 -0.284 25142 2005 1 6 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.740 -0.331 25142 2006 1 6 . 1 1 19 19 TYR CB C 19 38.802 38.802 39.105 -0.303 25142 2007 1 6 . 1 1 19 19 TYR H H 19 8.334 8.334 8.055 0.279 25142 2008 1 6 . 1 1 20 20 GLN N N 20 116.238 116.238 117.484 -1.246 25142 2009 1 6 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.925 -0.389 25142 2010 1 6 . 1 1 20 20 GLN C C 20 177.491 177.491 178.459 -0.968 25142 2011 1 6 . 1 1 20 20 GLN CA C 20 59.301 59.301 58.856 0.445 25142 2012 1 6 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.109 -0.004 25142 2013 1 6 . 1 1 20 20 GLN H H 20 7.771 7.771 7.857 -0.086 25142 2014 1 6 . 1 1 21 21 THR N N 21 112.943 112.943 114.733 -1.790 25142 2015 1 6 . 1 1 21 21 THR HA H 21 3.401 3.401 4.200 -0.799 25142 2016 1 6 . 1 1 21 21 THR C C 21 175.530 175.530 176.600 -1.070 25142 2017 1 6 . 1 1 21 21 THR CA C 21 67.451 67.451 65.316 2.135 25142 2018 1 6 . 1 1 21 21 THR CB C 21 68.856 68.856 68.777 0.079 25142 2019 1 6 . 1 1 21 21 THR H H 21 8.468 8.468 7.660 0.808 25142 2020 1 6 . 1 1 22 22 LEU N N 22 121.513 121.513 122.464 -0.951 25142 2021 1 6 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.427 -0.448 25142 2022 1 6 . 1 1 22 22 LEU C C 22 180.452 180.452 178.325 2.127 25142 2023 1 6 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.721 0.315 25142 2024 1 6 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.557 0.320 25142 2025 1 6 . 1 1 22 22 LEU H H 22 8.054 8.054 7.423 0.631 25142 2026 1 6 . 1 1 23 23 GLU N N 23 118.464 118.464 117.718 0.746 25142 2027 1 6 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.147 -0.311 25142 2028 1 6 . 1 1 23 23 GLU C C 23 179.824 179.824 179.141 0.683 25142 2029 1 6 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.452 0.146 25142 2030 1 6 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.433 1.499 25142 2031 1 6 . 1 1 23 23 GLU H H 23 7.732 7.732 7.707 0.025 25142 2032 1 6 . 1 1 24 24 LEU N N 24 124.210 124.210 119.881 4.329 25142 2033 1 6 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.153 -0.641 25142 2034 1 6 . 1 1 24 24 LEU C C 24 177.592 177.592 178.563 -0.971 25142 2035 1 6 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.396 1.062 25142 2036 1 6 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.091 -4.571 25142 2037 1 6 . 1 1 24 24 LEU H H 24 8.335 8.335 7.676 0.659 25142 2038 1 6 . 1 1 25 25 GLU N N 25 119.137 119.137 118.924 0.213 25142 2039 1 6 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.443 -0.196 25142 2040 1 6 . 1 1 25 25 GLU C C 25 179.021 179.021 178.363 0.658 25142 2041 1 6 . 1 1 25 25 GLU CA C 25 60.003 60.003 59.134 0.869 25142 2042 1 6 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.123 -0.455 25142 2043 1 6 . 1 1 25 25 GLU H H 25 7.912 7.912 8.405 -0.493 25142 2044 1 6 . 1 1 26 26 LYS N N 26 118.579 118.579 117.994 0.585 25142 2045 1 6 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.468 -0.551 25142 2046 1 6 . 1 1 26 26 LYS C C 26 179.351 179.351 178.613 0.738 25142 2047 1 6 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.434 2.569 25142 2048 1 6 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.610 -0.008 25142 2049 1 6 . 1 1 26 26 LYS H H 26 7.537 7.537 7.899 -0.362 25142 2050 1 6 . 1 1 27 27 GLU N N 27 120.048 120.048 120.955 -0.907 25142 2051 1 6 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.122 0.023 25142 2052 1 6 . 1 1 27 27 GLU C C 27 178.189 178.189 178.573 -0.384 25142 2053 1 6 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.469 0.551 25142 2054 1 6 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.767 -0.240 25142 2055 1 6 . 1 1 27 27 GLU H H 27 7.849 7.849 7.794 0.055 25142 2056 1 6 . 1 1 28 28 PHE N N 28 122.074 122.074 117.318 4.756 25142 2057 1 6 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.136 0.222 25142 2058 1 6 . 1 1 28 28 PHE C C 28 176.148 176.148 177.733 -1.585 25142 2059 1 6 . 1 1 28 28 PHE CA C 28 61.830 61.830 61.047 0.783 25142 2060 1 6 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.787 0.560 25142 2061 1 6 . 1 1 28 28 PHE H H 28 8.893 8.893 7.806 1.087 25142 2062 1 6 . 1 1 29 29 LEU N N 29 115.649 115.649 118.617 -2.968 25142 2063 1 6 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.160 -0.197 25142 2064 1 6 . 1 1 29 29 LEU C C 29 179.362 179.362 178.234 1.128 25142 2065 1 6 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.089 -0.739 25142 2066 1 6 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.571 1.185 25142 2067 1 6 . 1 1 29 29 LEU H H 29 7.919 7.919 7.993 -0.074 25142 2068 1 6 . 1 1 30 30 PHE N N 30 119.314 119.314 121.975 -2.661 25142 2069 1 6 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.154 0.291 25142 2070 1 6 . 1 1 30 30 PHE C C 30 176.451 176.451 176.210 0.241 25142 2071 1 6 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.858 -1.276 25142 2072 1 6 . 1 1 30 30 PHE CB C 30 39.628 39.628 39.010 0.618 25142 2073 1 6 . 1 1 30 30 PHE H H 30 7.584 7.584 8.259 -0.675 25142 2074 1 6 . 1 1 31 31 ASN N N 31 116.457 116.457 117.430 -0.973 25142 2075 1 6 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.326 0.266 25142 2076 1 6 . 1 1 31 31 ASN C C 31 173.302 173.302 176.196 -2.894 25142 2077 1 6 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.552 -1.591 25142 2078 1 6 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.432 0.915 25142 2079 1 6 . 1 1 31 31 ASN H H 31 8.375 8.375 7.876 0.499 25142 2080 1 6 . 1 1 32 32 MET N N 32 121.247 121.247 116.146 5.101 25142 2081 1 6 . 1 1 32 32 MET HA H 32 3.761 3.761 4.417 -0.656 25142 2082 1 6 . 1 1 32 32 MET C C 32 174.112 174.112 176.198 -2.086 25142 2083 1 6 . 1 1 32 32 MET CA C 32 57.474 57.474 58.204 -0.730 25142 2084 1 6 . 1 1 32 32 MET CB C 32 33.586 33.586 35.027 -1.441 25142 2085 1 6 . 1 1 32 32 MET H H 32 8.185 8.185 7.563 0.622 25142 2086 1 6 . 1 1 33 33 TYR N N 33 115.333 115.333 116.885 -1.552 25142 2087 1 6 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.503 0.174 25142 2088 1 6 . 1 1 33 33 TYR C C 33 175.017 175.017 174.071 0.946 25142 2089 1 6 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.372 -1.179 25142 2090 1 6 . 1 1 33 33 TYR CB C 33 40.190 40.190 41.015 -0.825 25142 2091 1 6 . 1 1 33 33 TYR H H 33 7.758 7.758 7.688 0.070 25142 2092 1 6 . 1 1 34 34 LEU N N 34 122.393 122.393 124.582 -2.189 25142 2093 1 6 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.976 -0.384 25142 2094 1 6 . 1 1 34 34 LEU C C 34 178.373 178.373 175.624 2.749 25142 2095 1 6 . 1 1 34 34 LEU CA C 34 53.961 53.961 55.036 -1.075 25142 2096 1 6 . 1 1 34 34 LEU CB C 34 43.844 43.844 46.269 -2.425 25142 2097 1 6 . 1 1 34 34 LEU H H 34 8.293 8.293 8.223 0.070 25142 2098 1 6 . 1 1 35 35 THR N N 35 113.078 113.078 117.709 -4.631 25142 2099 1 6 . 1 1 35 35 THR HA H 35 4.445 4.445 4.832 -0.387 25142 2100 1 6 . 1 1 35 35 THR C C 35 175.115 175.115 174.427 0.688 25142 2101 1 6 . 1 1 35 35 THR CA C 35 59.582 59.582 60.380 -0.798 25142 2102 1 6 . 1 1 35 35 THR CB C 35 70.823 70.823 70.931 -0.108 25142 2103 1 6 . 1 1 35 35 THR H H 35 7.729 7.729 8.079 -0.350 25142 2104 1 6 . 1 1 36 36 ARG N N 36 122.118 122.118 122.472 -0.354 25142 2105 1 6 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.042 -0.213 25142 2106 1 6 . 1 1 36 36 ARG C C 36 178.596 178.596 177.615 0.981 25142 2107 1 6 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.383 0.761 25142 2108 1 6 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.482 -1.393 25142 2109 1 6 . 1 1 36 36 ARG H H 36 8.951 8.951 8.788 0.163 25142 2110 1 6 . 1 1 37 37 ASP N N 37 116.410 116.410 118.544 -2.134 25142 2111 1 6 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.378 0.048 25142 2112 1 6 . 1 1 37 37 ASP C C 37 178.603 178.603 178.368 0.235 25142 2113 1 6 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.444 0.311 25142 2114 1 6 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.615 -0.426 25142 2115 1 6 . 1 1 37 37 ASP H H 37 8.454 8.454 7.873 0.581 25142 2116 1 6 . 1 1 38 38 ARG N N 38 121.073 121.073 120.522 0.551 25142 2117 1 6 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.411 -0.194 25142 2118 1 6 . 1 1 38 38 ARG C C 38 177.751 177.751 178.206 -0.455 25142 2119 1 6 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.193 -0.579 25142 2120 1 6 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.126 -0.194 25142 2121 1 6 . 1 1 38 38 ARG H H 38 7.795 7.795 7.415 0.380 25142 2122 1 6 . 1 1 39 39 ARG N N 39 119.603 119.603 119.318 0.285 25142 2123 1 6 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.025 -0.351 25142 2124 1 6 . 1 1 39 39 ARG C C 39 177.405 177.405 179.216 -1.811 25142 2125 1 6 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.613 0.672 25142 2126 1 6 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.983 0.090 25142 2127 1 6 . 1 1 39 39 ARG H H 39 8.650 8.650 7.658 0.992 25142 2128 1 6 . 1 1 40 40 TYR N N 40 116.995 116.995 119.976 -2.981 25142 2129 1 6 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.129 -0.058 25142 2130 1 6 . 1 1 40 40 TYR C C 40 177.632 177.632 176.988 0.644 25142 2131 1 6 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.915 1.477 25142 2132 1 6 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.703 -0.902 25142 2133 1 6 . 1 1 40 40 TYR H H 40 7.893 7.893 8.246 -0.353 25142 2134 1 6 . 1 1 41 41 GLU N N 41 120.324 120.324 118.632 1.692 25142 2135 1 6 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.982 0.157 25142 2136 1 6 . 1 1 41 41 GLU C C 41 178.263 178.263 179.100 -0.837 25142 2137 1 6 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.466 -1.430 25142 2138 1 6 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.377 0.696 25142 2139 1 6 . 1 1 41 41 GLU H H 41 7.687 7.687 7.860 -0.173 25142 2140 1 6 . 1 1 42 42 VAL N N 42 120.030 120.030 115.578 4.452 25142 2141 1 6 . 1 1 42 42 VAL HA H 42 3.521 3.521 3.978 -0.457 25142 2142 1 6 . 1 1 42 42 VAL C C 42 177.248 177.248 177.356 -0.108 25142 2143 1 6 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.731 1.455 25142 2144 1 6 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.304 1.298 25142 2145 1 6 . 1 1 42 42 VAL H H 42 8.675 8.675 8.276 0.399 25142 2146 1 6 . 1 1 43 43 ALA N N 43 119.887 119.887 121.495 -1.608 25142 2147 1 6 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.144 -0.576 25142 2148 1 6 . 1 1 43 43 ALA C C 43 179.037 179.037 179.029 0.008 25142 2149 1 6 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.610 1.459 25142 2150 1 6 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.527 -1.101 25142 2151 1 6 . 1 1 43 43 ALA H H 43 8.026 8.026 7.641 0.385 25142 2152 1 6 . 1 1 44 44 ARG N N 44 116.238 116.238 117.296 -1.058 25142 2153 1 6 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.207 -0.206 25142 2154 1 6 . 1 1 44 44 ARG C C 44 180.290 180.290 178.114 2.176 25142 2155 1 6 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.906 0.395 25142 2156 1 6 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.785 -0.712 25142 2157 1 6 . 1 1 44 44 ARG H H 44 7.771 7.771 7.571 0.200 25142 2158 1 6 . 1 1 45 45 VAL N N 45 118.391 118.391 115.398 2.993 25142 2159 1 6 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.162 -0.352 25142 2160 1 6 . 1 1 45 45 VAL C C 45 177.986 177.986 176.656 1.330 25142 2161 1 6 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.687 0.516 25142 2162 1 6 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.043 0.559 25142 2163 1 6 . 1 1 45 45 VAL H H 45 8.250 8.250 7.652 0.598 25142 2164 1 6 . 1 1 46 46 LEU N N 46 116.008 116.008 119.022 -3.014 25142 2165 1 6 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.405 0.102 25142 2166 1 6 . 1 1 46 46 LEU C C 46 176.657 176.657 175.845 0.812 25142 2167 1 6 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.455 0.209 25142 2168 1 6 . 1 1 46 46 LEU CB C 46 42.175 42.175 41.855 0.320 25142 2169 1 6 . 1 1 46 46 LEU H H 46 7.896 7.896 7.321 0.575 25142 2170 1 6 . 1 1 47 47 ASN N N 47 117.881 117.881 112.648 5.233 25142 2171 1 6 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.437 0.004 25142 2172 1 6 . 1 1 47 47 ASN C C 47 173.788 173.788 174.820 -1.032 25142 2173 1 6 . 1 1 47 47 ASN CA C 47 54.804 54.804 53.941 0.863 25142 2174 1 6 . 1 1 47 47 ASN CB C 47 36.818 36.818 37.247 -0.429 25142 2175 1 6 . 1 1 47 47 ASN H H 47 7.992 7.992 7.947 0.045 25142 2176 1 6 . 1 1 48 48 LEU N N 48 119.211 119.211 115.603 3.608 25142 2177 1 6 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.571 0.306 25142 2178 1 6 . 1 1 48 48 LEU C C 48 176.505 176.505 176.704 -0.199 25142 2179 1 6 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.820 0.012 25142 2180 1 6 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.264 3.655 25142 2181 1 6 . 1 1 48 48 LEU H H 48 8.517 8.517 7.923 0.594 25142 2182 1 6 . 1 1 49 49 THR N N 49 109.223 109.223 114.755 -5.532 25142 2183 1 6 . 1 1 49 49 THR HA H 49 4.648 4.648 4.497 0.151 25142 2184 1 6 . 1 1 49 49 THR C C 49 176.663 176.663 175.468 1.195 25142 2185 1 6 . 1 1 49 49 THR CA C 49 60.566 60.566 61.268 -0.702 25142 2186 1 6 . 1 1 49 49 THR CB C 49 70.824 70.824 70.934 -0.110 25142 2187 1 6 . 1 1 49 49 THR H H 49 8.694 8.694 8.344 0.350 25142 2188 1 6 . 1 1 50 50 GLU N N 50 121.200 121.200 123.137 -1.937 25142 2189 1 6 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.097 -0.444 25142 2190 1 6 . 1 1 50 50 GLU C C 50 178.500 178.500 178.719 -0.219 25142 2191 1 6 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.441 0.546 25142 2192 1 6 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.239 0.693 25142 2193 1 6 . 1 1 50 50 GLU H H 50 9.184 9.184 8.754 0.430 25142 2194 1 6 . 1 1 51 51 ARG N N 51 119.168 119.168 118.912 0.256 25142 2195 1 6 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.255 -0.252 25142 2196 1 6 . 1 1 51 51 ARG C C 51 177.979 177.979 178.530 -0.551 25142 2197 1 6 . 1 1 51 51 ARG CA C 51 59.301 59.301 59.015 0.286 25142 2198 1 6 . 1 1 51 51 ARG CB C 51 30.073 30.073 30.086 -0.013 25142 2199 1 6 . 1 1 51 51 ARG H H 51 8.220 8.220 8.266 -0.046 25142 2200 1 6 . 1 1 52 52 GLN N N 52 117.548 117.548 118.457 -0.909 25142 2201 1 6 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.102 -0.013 25142 2202 1 6 . 1 1 52 52 GLN C C 52 180.689 180.689 178.396 2.293 25142 2203 1 6 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.058 0.805 25142 2204 1 6 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.012 2.201 25142 2205 1 6 . 1 1 52 52 GLN H H 52 8.029 8.029 8.555 -0.526 25142 2206 1 6 . 1 1 53 53 VAL N N 53 121.408 121.408 119.329 2.079 25142 2207 1 6 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.617 0.196 25142 2208 1 6 . 1 1 53 53 VAL C C 53 176.662 176.662 177.290 -0.628 25142 2209 1 6 . 1 1 53 53 VAL CA C 53 68.154 68.154 67.129 1.026 25142 2210 1 6 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.321 1.281 25142 2211 1 6 . 1 1 53 53 VAL H H 53 8.004 8.004 7.589 0.415 25142 2212 1 6 . 1 1 54 54 LYS N N 54 121.266 121.266 120.070 1.196 25142 2213 1 6 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.906 0.341 25142 2214 1 6 . 1 1 54 54 LYS C C 54 179.996 179.996 179.126 0.870 25142 2215 1 6 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.123 0.881 25142 2216 1 6 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.606 0.996 25142 2217 1 6 . 1 1 54 54 LYS H H 54 8.527 8.527 7.441 1.086 25142 2218 1 6 . 1 1 55 55 ILE N N 55 119.453 119.453 120.178 -0.725 25142 2219 1 6 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.818 0.042 25142 2220 1 6 . 1 1 55 55 ILE C C 55 177.548 177.548 177.922 -0.374 25142 2221 1 6 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.042 -1.104 25142 2222 1 6 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.633 0.590 25142 2223 1 6 . 1 1 55 55 ILE H H 55 8.748 8.748 8.004 0.744 25142 2224 1 6 . 1 1 56 56 TRP N N 56 122.220 122.220 122.710 -0.490 25142 2225 1 6 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.213 -0.306 25142 2226 1 6 . 1 1 56 56 TRP C C 56 180.094 180.094 177.612 2.482 25142 2227 1 6 . 1 1 56 56 TRP CA C 56 63.938 63.938 62.114 1.824 25142 2228 1 6 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.406 -0.036 25142 2229 1 6 . 1 1 56 56 TRP H H 56 8.076 8.076 8.116 -0.040 25142 2230 1 6 . 1 1 57 57 PHE N N 57 119.464 119.464 119.108 0.356 25142 2231 1 6 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.691 0.169 25142 2232 1 6 . 1 1 57 57 PHE C C 57 177.749 177.749 177.458 0.291 25142 2233 1 6 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.558 2.380 25142 2234 1 6 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.264 0.364 25142 2235 1 6 . 1 1 57 57 PHE H H 57 8.859 8.859 7.838 1.021 25142 2236 1 6 . 1 1 58 58 GLN N N 58 118.649 118.649 118.764 -0.115 25142 2237 1 6 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.799 0.204 25142 2238 1 6 . 1 1 58 58 GLN C C 58 178.888 178.888 178.225 0.663 25142 2239 1 6 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.352 -0.051 25142 2240 1 6 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.672 -0.005 25142 2241 1 6 . 1 1 58 58 GLN H H 58 8.240 8.240 8.359 -0.119 25142 2242 1 6 . 1 1 59 59 ASN N N 59 118.104 118.104 118.234 -0.130 25142 2243 1 6 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.326 -0.009 25142 2244 1 6 . 1 1 59 59 ASN C C 59 177.504 177.504 177.703 -0.199 25142 2245 1 6 . 1 1 59 59 ASN CA C 59 56.210 56.210 55.988 0.222 25142 2246 1 6 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.874 -0.073 25142 2247 1 6 . 1 1 59 59 ASN H H 59 8.320 8.320 7.922 0.398 25142 2248 1 6 . 1 1 60 60 ARG N N 60 122.957 122.957 117.974 4.983 25142 2249 1 6 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.862 -0.466 25142 2250 1 6 . 1 1 60 60 ARG C C 60 179.229 179.229 178.342 0.887 25142 2251 1 6 . 1 1 60 60 ARG CA C 60 56.631 56.631 57.613 -0.982 25142 2252 1 6 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.378 -0.991 25142 2253 1 6 . 1 1 60 60 ARG H H 60 8.113 8.113 7.549 0.564 25142 2254 1 6 . 1 1 61 61 ARG N N 61 117.860 117.860 119.608 -1.748 25142 2255 1 6 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.011 0.078 25142 2256 1 6 . 1 1 61 61 ARG C C 61 178.883 178.883 178.167 0.716 25142 2257 1 6 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.675 2.188 25142 2258 1 6 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.616 1.299 25142 2259 1 6 . 1 1 61 61 ARG H H 61 7.902 7.902 7.291 0.611 25142 2260 1 6 . 1 1 62 62 MET N N 62 117.859 117.859 118.192 -0.333 25142 2261 1 6 . 1 1 62 62 MET HA H 62 4.263 4.263 3.953 0.310 25142 2262 1 6 . 1 1 62 62 MET C C 62 177.644 177.644 178.692 -1.048 25142 2263 1 6 . 1 1 62 62 MET CA C 62 57.474 57.474 59.205 -1.731 25142 2264 1 6 . 1 1 62 62 MET CB C 62 30.494 30.494 32.263 -1.768 25142 2265 1 6 . 1 1 62 62 MET H H 62 7.535 7.535 7.841 -0.306 25142 2266 1 6 . 1 1 63 63 LYS N N 63 118.415 118.415 118.451 -0.036 25142 2267 1 6 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.997 0.135 25142 2268 1 6 . 1 1 63 63 LYS C C 63 177.090 177.090 178.395 -1.305 25142 2269 1 6 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.797 -1.182 25142 2270 1 6 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.872 1.152 25142 2271 1 6 . 1 1 63 63 LYS H H 63 7.426 7.426 7.696 -0.270 25142 2272 1 6 . 1 1 64 64 MET N N 64 117.987 117.987 115.888 2.099 25142 2273 1 6 . 1 1 64 64 MET HA H 64 4.271 4.271 4.349 -0.078 25142 2274 1 6 . 1 1 64 64 MET C C 64 176.223 176.223 176.524 -0.301 25142 2275 1 6 . 1 1 64 64 MET CA C 64 57.632 57.632 56.971 0.661 25142 2276 1 6 . 1 1 64 64 MET H H 64 7.538 7.538 7.235 0.303 25142 2277 1 6 . 1 1 65 65 LYS N N 65 120.643 120.643 116.843 3.800 25142 2278 1 6 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.137 0.162 25142 2279 1 6 . 1 1 65 65 LYS C C 65 175.950 175.950 177.643 -1.693 25142 2280 1 6 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.113 0.519 25142 2281 1 6 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.015 1.009 25142 2282 1 6 . 1 1 65 65 LYS H H 65 7.930 7.930 7.598 0.332 25142 2283 1 6 . 1 1 66 66 LYS N N 66 122.089 122.089 117.212 4.877 25142 2284 1 6 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.254 0.017 25142 2285 1 6 . 1 1 66 66 LYS C C 66 176.302 176.302 176.809 -0.507 25142 2286 1 6 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.737 0.754 25142 2287 1 6 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.278 -0.658 25142 2288 1 6 . 1 1 66 66 LYS H H 66 8.172 8.172 7.511 0.661 25142 2289 1 6 . 1 1 67 67 MET N N 67 119.918 119.918 119.360 0.558 25142 2290 1 6 . 1 1 67 67 MET HA H 67 4.765 4.765 4.433 0.332 25142 2291 1 6 . 1 1 67 67 MET C C 67 175.047 175.047 175.147 -0.100 25142 2292 1 6 . 1 1 67 67 MET H H 67 8.056 8.056 7.676 0.380 25142 2293 1 7 . 1 1 2 2 ASN N N 2 125.670 125.670 115.519 10.151 25142 2294 1 7 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.431 -0.294 25142 2295 1 7 . 1 1 2 2 ASN C C 2 170.976 170.976 173.792 -2.816 25142 2296 1 7 . 1 1 2 2 ASN CA C 2 53.812 53.812 54.085 -0.273 25142 2297 1 7 . 1 1 2 2 ASN CB C 2 38.888 38.888 37.744 1.144 25142 2298 1 7 . 1 1 2 2 ASN H H 2 7.926 7.926 8.819 -0.893 25142 2299 1 7 . 1 1 3 3 TRP N N 3 122.562 122.562 116.987 5.575 25142 2300 1 7 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.688 0.074 25142 2301 1 7 . 1 1 3 3 TRP C C 3 176.062 176.062 175.142 0.920 25142 2302 1 7 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.041 -0.071 25142 2303 1 7 . 1 1 3 3 TRP CB C 3 29.629 29.629 30.208 -0.579 25142 2304 1 7 . 1 1 3 3 TRP H H 3 7.920 7.920 7.754 0.166 25142 2305 1 7 . 1 1 4 4 ILE N N 4 122.339 122.339 119.689 2.650 25142 2306 1 7 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.653 0.518 25142 2307 1 7 . 1 1 4 4 ILE C C 4 175.825 175.825 175.710 0.115 25142 2308 1 7 . 1 1 4 4 ILE CA C 4 61.409 61.409 63.297 -1.888 25142 2309 1 7 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.990 0.655 25142 2310 1 7 . 1 1 4 4 ILE H H 4 7.893 7.893 7.901 -0.008 25142 2311 1 7 . 1 1 5 5 HIS N N 5 122.699 122.699 114.247 8.452 25142 2312 1 7 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.504 0.024 25142 2313 1 7 . 1 1 5 5 HIS C C 5 175.039 175.039 173.385 1.654 25142 2314 1 7 . 1 1 5 5 HIS CA C 5 56.069 56.069 55.661 0.408 25142 2315 1 7 . 1 1 5 5 HIS CB C 5 30.634 30.634 30.234 0.400 25142 2316 1 7 . 1 1 5 5 HIS H H 5 8.015 8.015 7.904 0.111 25142 2317 1 7 . 1 1 6 6 ALA N N 6 125.335 125.335 124.709 0.626 25142 2318 1 7 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.204 0.064 25142 2319 1 7 . 1 1 6 6 ALA C C 6 177.735 177.735 178.613 -0.878 25142 2320 1 7 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.917 -0.220 25142 2321 1 7 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.995 0.258 25142 2322 1 7 . 1 1 6 6 ALA H H 6 8.183 8.183 8.043 0.140 25142 2323 1 7 . 1 1 7 7 ARG N N 7 120.137 120.137 124.704 -4.567 25142 2324 1 7 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.178 0.113 25142 2325 1 7 . 1 1 7 7 ARG C C 7 176.556 176.556 176.498 0.058 25142 2326 1 7 . 1 1 7 7 ARG CA C 7 56.226 56.226 56.133 0.093 25142 2327 1 7 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.631 0.302 25142 2328 1 7 . 1 1 7 7 ARG H H 7 8.399 8.399 8.293 0.106 25142 2329 1 7 . 1 1 9 9 THR N N 9 115.696 115.696 117.419 -1.723 25142 2330 1 7 . 1 1 9 9 THR HA H 9 4.311 4.311 4.663 -0.352 25142 2331 1 7 . 1 1 9 9 THR C C 9 174.493 174.493 174.265 0.228 25142 2332 1 7 . 1 1 9 9 THR CA C 9 61.970 61.970 61.442 0.528 25142 2333 1 7 . 1 1 9 9 THR CB C 9 69.840 69.840 69.433 0.407 25142 2334 1 7 . 1 1 9 9 THR H H 9 8.081 8.081 8.385 -0.304 25142 2335 1 7 . 1 1 10 10 ARG N N 10 123.599 123.599 126.464 -2.865 25142 2336 1 7 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.725 -0.412 25142 2337 1 7 . 1 1 10 10 ARG C C 10 176.173 176.173 176.132 0.041 25142 2338 1 7 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.049 0.178 25142 2339 1 7 . 1 1 10 10 ARG CB C 10 30.933 30.933 32.275 -1.342 25142 2340 1 7 . 1 1 10 10 ARG H H 10 8.275 8.275 8.780 -0.505 25142 2341 1 7 . 1 1 11 11 LYS N N 11 123.132 123.132 125.367 -2.235 25142 2342 1 7 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.375 -0.077 25142 2343 1 7 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.508 0.140 25142 2344 1 7 . 1 1 11 11 LYS CB C 11 33.181 33.181 33.231 -0.050 25142 2345 1 7 . 1 1 11 11 LYS H H 11 8.334 8.334 8.687 -0.353 25142 2346 1 7 . 1 1 12 12 LYS N N 12 123.229 123.229 118.205 5.024 25142 2347 1 7 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.164 0.090 25142 2348 1 7 . 1 1 12 12 LYS C C 12 176.124 176.124 176.291 -0.167 25142 2349 1 7 . 1 1 12 12 LYS CA C 12 56.631 56.631 57.212 -0.581 25142 2350 1 7 . 1 1 12 12 LYS CB C 12 33.164 33.164 32.280 0.884 25142 2351 1 7 . 1 1 12 12 LYS H H 12 8.357 8.357 8.142 0.215 25142 2352 1 7 . 1 1 13 13 ARG N N 13 123.166 123.166 120.537 2.629 25142 2353 1 7 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.508 -0.191 25142 2354 1 7 . 1 1 13 13 ARG C C 13 175.831 175.831 174.780 1.051 25142 2355 1 7 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.479 -1.269 25142 2356 1 7 . 1 1 13 13 ARG CB C 13 30.073 30.073 31.597 -1.524 25142 2357 1 7 . 1 1 13 13 ARG H H 13 8.439 8.439 8.750 -0.311 25142 2358 1 7 . 1 1 14 14 CYS N N 14 123.412 123.412 116.945 6.467 25142 2359 1 7 . 1 1 14 14 CYS HA H 14 4.614 4.614 5.107 -0.493 25142 2360 1 7 . 1 1 14 14 CYS CA C 14 56.771 56.771 55.673 1.098 25142 2361 1 7 . 1 1 14 14 CYS H H 14 8.542 8.542 8.098 0.444 25142 2362 1 7 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.364 -0.031 25142 2363 1 7 . 1 1 15 15 PRO C C 15 175.713 175.713 176.523 -0.810 25142 2364 1 7 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.261 0.537 25142 2365 1 7 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.607 0.433 25142 2366 1 7 . 1 1 16 16 TYR N N 16 116.961 116.961 119.245 -2.284 25142 2367 1 7 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.522 0.403 25142 2368 1 7 . 1 1 16 16 TYR C C 16 176.803 176.803 175.005 1.798 25142 2369 1 7 . 1 1 16 16 TYR CA C 16 56.583 56.583 56.838 -0.255 25142 2370 1 7 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.220 1.825 25142 2371 1 7 . 1 1 16 16 TYR H H 16 7.539 7.539 7.857 -0.318 25142 2372 1 7 . 1 1 17 17 THR N N 17 115.107 115.107 117.035 -1.928 25142 2373 1 7 . 1 1 17 17 THR HA H 17 4.469 4.469 4.494 -0.025 25142 2374 1 7 . 1 1 17 17 THR C C 17 175.593 175.593 175.395 0.198 25142 2375 1 7 . 1 1 17 17 THR CA C 17 60.987 60.987 60.092 0.895 25142 2376 1 7 . 1 1 17 17 THR CB C 17 71.240 71.240 70.680 0.560 25142 2377 1 7 . 1 1 17 17 THR H H 17 9.305 9.305 8.223 1.082 25142 2378 1 7 . 1 1 18 18 LYS N N 18 123.297 123.297 120.664 2.633 25142 2379 1 7 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.084 0.007 25142 2380 1 7 . 1 1 18 18 LYS C C 18 178.363 178.363 178.543 -0.180 25142 2381 1 7 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.857 0.147 25142 2382 1 7 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.117 -0.077 25142 2383 1 7 . 1 1 18 18 LYS H H 18 8.990 8.990 8.961 0.029 25142 2384 1 7 . 1 1 19 19 TYR N N 19 118.372 118.372 119.010 -0.638 25142 2385 1 7 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.143 0.028 25142 2386 1 7 . 1 1 19 19 TYR C C 19 176.959 176.959 177.636 -0.677 25142 2387 1 7 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.041 -0.632 25142 2388 1 7 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.468 0.334 25142 2389 1 7 . 1 1 19 19 TYR H H 19 8.334 8.334 7.754 0.580 25142 2390 1 7 . 1 1 20 20 GLN N N 20 116.238 116.238 117.257 -1.019 25142 2391 1 7 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.974 -0.438 25142 2392 1 7 . 1 1 20 20 GLN C C 20 177.491 177.491 178.217 -0.726 25142 2393 1 7 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.204 0.097 25142 2394 1 7 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.014 0.091 25142 2395 1 7 . 1 1 20 20 GLN H H 20 7.771 7.771 8.388 -0.617 25142 2396 1 7 . 1 1 21 21 THR N N 21 112.943 112.943 114.489 -1.546 25142 2397 1 7 . 1 1 21 21 THR HA H 21 3.401 3.401 4.088 -0.687 25142 2398 1 7 . 1 1 21 21 THR C C 21 175.530 175.530 176.324 -0.794 25142 2399 1 7 . 1 1 21 21 THR CA C 21 67.451 67.451 65.356 2.095 25142 2400 1 7 . 1 1 21 21 THR CB C 21 68.856 68.856 68.863 -0.007 25142 2401 1 7 . 1 1 21 21 THR H H 21 8.468 8.468 8.053 0.415 25142 2402 1 7 . 1 1 22 22 LEU N N 22 121.513 121.513 122.620 -1.107 25142 2403 1 7 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.372 -0.393 25142 2404 1 7 . 1 1 22 22 LEU C C 22 180.452 180.452 178.279 2.173 25142 2405 1 7 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.710 0.326 25142 2406 1 7 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.482 0.395 25142 2407 1 7 . 1 1 22 22 LEU H H 22 8.054 8.054 7.155 0.899 25142 2408 1 7 . 1 1 23 23 GLU N N 23 118.464 118.464 118.358 0.106 25142 2409 1 7 . 1 1 23 23 GLU HA H 23 3.836 3.836 3.982 -0.146 25142 2410 1 7 . 1 1 23 23 GLU C C 23 179.824 179.824 179.258 0.566 25142 2411 1 7 . 1 1 23 23 GLU CA C 23 58.598 58.598 59.438 -0.840 25142 2412 1 7 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.252 1.680 25142 2413 1 7 . 1 1 23 23 GLU H H 23 7.732 7.732 7.643 0.089 25142 2414 1 7 . 1 1 24 24 LEU N N 24 124.210 124.210 118.747 5.463 25142 2415 1 7 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.020 -0.508 25142 2416 1 7 . 1 1 24 24 LEU C C 24 177.592 177.592 177.993 -0.401 25142 2417 1 7 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.755 0.703 25142 2418 1 7 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.054 -4.534 25142 2419 1 7 . 1 1 24 24 LEU H H 24 8.335 8.335 7.462 0.873 25142 2420 1 7 . 1 1 25 25 GLU N N 25 119.137 119.137 117.207 1.930 25142 2421 1 7 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.122 0.125 25142 2422 1 7 . 1 1 25 25 GLU C C 25 179.021 179.021 179.071 -0.050 25142 2423 1 7 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.503 1.500 25142 2424 1 7 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.297 -0.629 25142 2425 1 7 . 1 1 25 25 GLU H H 25 7.912 7.912 8.038 -0.126 25142 2426 1 7 . 1 1 26 26 LYS N N 26 118.579 118.579 119.512 -0.933 25142 2427 1 7 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.267 -0.350 25142 2428 1 7 . 1 1 26 26 LYS C C 26 179.351 179.351 178.585 0.766 25142 2429 1 7 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.919 2.084 25142 2430 1 7 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.039 0.562 25142 2431 1 7 . 1 1 26 26 LYS H H 26 7.537 7.537 7.610 -0.073 25142 2432 1 7 . 1 1 27 27 GLU N N 27 120.048 120.048 120.300 -0.252 25142 2433 1 7 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.124 0.021 25142 2434 1 7 . 1 1 27 27 GLU C C 27 178.189 178.189 178.087 0.102 25142 2435 1 7 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.490 0.530 25142 2436 1 7 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.160 -0.633 25142 2437 1 7 . 1 1 27 27 GLU H H 27 7.849 7.849 7.653 0.196 25142 2438 1 7 . 1 1 28 28 PHE N N 28 122.074 122.074 120.834 1.240 25142 2439 1 7 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.159 0.199 25142 2440 1 7 . 1 1 28 28 PHE C C 28 176.148 176.148 176.714 -0.566 25142 2441 1 7 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.212 1.618 25142 2442 1 7 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.936 0.411 25142 2443 1 7 . 1 1 28 28 PHE H H 28 8.893 8.893 7.498 1.395 25142 2444 1 7 . 1 1 29 29 LEU N N 29 115.649 115.649 119.929 -4.280 25142 2445 1 7 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.788 0.175 25142 2446 1 7 . 1 1 29 29 LEU C C 29 179.362 179.362 178.157 1.205 25142 2447 1 7 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.218 -0.868 25142 2448 1 7 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.044 0.713 25142 2449 1 7 . 1 1 29 29 LEU H H 29 7.919 7.919 7.679 0.240 25142 2450 1 7 . 1 1 30 30 PHE N N 30 119.314 119.314 119.277 0.037 25142 2451 1 7 . 1 1 30 30 PHE HA H 30 4.445 4.445 3.967 0.478 25142 2452 1 7 . 1 1 30 30 PHE C C 30 176.451 176.451 177.106 -0.655 25142 2453 1 7 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.748 -1.166 25142 2454 1 7 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.836 0.792 25142 2455 1 7 . 1 1 30 30 PHE H H 30 7.584 7.584 8.195 -0.611 25142 2456 1 7 . 1 1 31 31 ASN N N 31 116.457 116.457 117.618 -1.161 25142 2457 1 7 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.141 0.451 25142 2458 1 7 . 1 1 31 31 ASN C C 31 173.302 173.302 176.525 -3.223 25142 2459 1 7 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.372 -1.411 25142 2460 1 7 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.293 1.054 25142 2461 1 7 . 1 1 31 31 ASN H H 31 8.375 8.375 7.886 0.489 25142 2462 1 7 . 1 1 32 32 MET N N 32 121.247 121.247 115.976 5.271 25142 2463 1 7 . 1 1 32 32 MET HA H 32 3.761 3.761 4.207 -0.446 25142 2464 1 7 . 1 1 32 32 MET C C 32 174.112 174.112 176.152 -2.040 25142 2465 1 7 . 1 1 32 32 MET CA C 32 57.474 57.474 56.709 0.765 25142 2466 1 7 . 1 1 32 32 MET CB C 32 33.586 33.586 33.565 0.021 25142 2467 1 7 . 1 1 32 32 MET H H 32 8.185 8.185 7.463 0.722 25142 2468 1 7 . 1 1 33 33 TYR N N 33 115.333 115.333 115.906 -0.573 25142 2469 1 7 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.461 0.216 25142 2470 1 7 . 1 1 33 33 TYR C C 33 175.017 175.017 174.290 0.727 25142 2471 1 7 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.083 -0.890 25142 2472 1 7 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.969 -0.779 25142 2473 1 7 . 1 1 33 33 TYR H H 33 7.758 7.758 7.798 -0.040 25142 2474 1 7 . 1 1 34 34 LEU N N 34 122.393 122.393 124.802 -2.409 25142 2475 1 7 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.842 -0.250 25142 2476 1 7 . 1 1 34 34 LEU C C 34 178.373 178.373 175.476 2.897 25142 2477 1 7 . 1 1 34 34 LEU CA C 34 53.961 53.961 53.902 0.059 25142 2478 1 7 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.116 -1.272 25142 2479 1 7 . 1 1 34 34 LEU H H 34 8.293 8.293 8.216 0.077 25142 2480 1 7 . 1 1 35 35 THR N N 35 113.078 113.078 117.074 -3.996 25142 2481 1 7 . 1 1 35 35 THR HA H 35 4.445 4.445 4.742 -0.297 25142 2482 1 7 . 1 1 35 35 THR C C 35 175.115 175.115 175.581 -0.466 25142 2483 1 7 . 1 1 35 35 THR CA C 35 59.582 59.582 60.574 -0.992 25142 2484 1 7 . 1 1 35 35 THR CB C 35 70.823 70.823 70.821 0.002 25142 2485 1 7 . 1 1 35 35 THR H H 35 7.729 7.729 8.188 -0.459 25142 2486 1 7 . 1 1 36 36 ARG N N 36 122.118 122.118 124.776 -2.658 25142 2487 1 7 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.137 -0.308 25142 2488 1 7 . 1 1 36 36 ARG C C 36 178.596 178.596 177.655 0.941 25142 2489 1 7 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.430 0.714 25142 2490 1 7 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.337 -1.248 25142 2491 1 7 . 1 1 36 36 ARG H H 36 8.951 8.951 8.938 0.013 25142 2492 1 7 . 1 1 37 37 ASP N N 37 116.410 116.410 118.349 -1.939 25142 2493 1 7 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.457 -0.031 25142 2494 1 7 . 1 1 37 37 ASP C C 37 178.603 178.603 178.318 0.285 25142 2495 1 7 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.568 0.187 25142 2496 1 7 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.508 -0.318 25142 2497 1 7 . 1 1 37 37 ASP H H 37 8.454 8.454 7.803 0.651 25142 2498 1 7 . 1 1 38 38 ARG N N 38 121.073 121.073 120.338 0.735 25142 2499 1 7 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.423 -0.206 25142 2500 1 7 . 1 1 38 38 ARG C C 38 177.751 177.751 178.639 -0.888 25142 2501 1 7 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.689 -1.075 25142 2502 1 7 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.124 -0.192 25142 2503 1 7 . 1 1 38 38 ARG H H 38 7.795 7.795 7.827 -0.032 25142 2504 1 7 . 1 1 39 39 ARG N N 39 119.603 119.603 118.125 1.478 25142 2505 1 7 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.054 -0.380 25142 2506 1 7 . 1 1 39 39 ARG C C 39 177.405 177.405 179.123 -1.718 25142 2507 1 7 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.527 0.758 25142 2508 1 7 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.051 0.022 25142 2509 1 7 . 1 1 39 39 ARG H H 39 8.650 8.650 7.693 0.957 25142 2510 1 7 . 1 1 40 40 TYR N N 40 116.995 116.995 121.035 -4.040 25142 2511 1 7 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.230 -0.159 25142 2512 1 7 . 1 1 40 40 TYR C C 40 177.632 177.632 176.802 0.830 25142 2513 1 7 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.571 1.821 25142 2514 1 7 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.683 -0.882 25142 2515 1 7 . 1 1 40 40 TYR H H 40 7.893 7.893 7.879 0.014 25142 2516 1 7 . 1 1 41 41 GLU N N 41 120.324 120.324 118.872 1.452 25142 2517 1 7 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.714 0.425 25142 2518 1 7 . 1 1 41 41 GLU C C 41 178.263 178.263 179.180 -0.917 25142 2519 1 7 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.332 -1.296 25142 2520 1 7 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.387 0.686 25142 2521 1 7 . 1 1 41 41 GLU H H 41 7.687 7.687 8.116 -0.429 25142 2522 1 7 . 1 1 42 42 VAL N N 42 120.030 120.030 115.265 4.765 25142 2523 1 7 . 1 1 42 42 VAL HA H 42 3.521 3.521 3.830 -0.309 25142 2524 1 7 . 1 1 42 42 VAL C C 42 177.248 177.248 177.481 -0.233 25142 2525 1 7 . 1 1 42 42 VAL CA C 42 66.186 66.186 65.415 0.771 25142 2526 1 7 . 1 1 42 42 VAL CB C 42 32.602 32.602 30.878 1.724 25142 2527 1 7 . 1 1 42 42 VAL H H 42 8.675 8.675 8.373 0.302 25142 2528 1 7 . 1 1 43 43 ALA N N 43 119.887 119.887 121.428 -1.541 25142 2529 1 7 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.137 -0.569 25142 2530 1 7 . 1 1 43 43 ALA C C 43 179.037 179.037 179.315 -0.278 25142 2531 1 7 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.340 1.729 25142 2532 1 7 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.682 -1.256 25142 2533 1 7 . 1 1 43 43 ALA H H 43 8.026 8.026 7.117 0.909 25142 2534 1 7 . 1 1 44 44 ARG N N 44 116.238 116.238 116.985 -0.747 25142 2535 1 7 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.086 -0.085 25142 2536 1 7 . 1 1 44 44 ARG C C 44 180.290 180.290 178.369 1.921 25142 2537 1 7 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.888 1.413 25142 2538 1 7 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.195 -0.122 25142 2539 1 7 . 1 1 44 44 ARG H H 44 7.771 7.771 7.746 0.025 25142 2540 1 7 . 1 1 45 45 VAL N N 45 118.391 118.391 115.262 3.129 25142 2541 1 7 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.143 -0.333 25142 2542 1 7 . 1 1 45 45 VAL C C 45 177.986 177.986 176.807 1.179 25142 2543 1 7 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.661 0.542 25142 2544 1 7 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.067 0.535 25142 2545 1 7 . 1 1 45 45 VAL H H 45 8.250 8.250 7.550 0.700 25142 2546 1 7 . 1 1 46 46 LEU N N 46 116.008 116.008 119.368 -3.360 25142 2547 1 7 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.471 0.036 25142 2548 1 7 . 1 1 46 46 LEU C C 46 176.657 176.657 175.930 0.727 25142 2549 1 7 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.389 0.275 25142 2550 1 7 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.002 0.173 25142 2551 1 7 . 1 1 46 46 LEU H H 46 7.896 7.896 7.205 0.691 25142 2552 1 7 . 1 1 47 47 ASN N N 47 117.881 117.881 112.672 5.209 25142 2553 1 7 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.441 0.000 25142 2554 1 7 . 1 1 47 47 ASN C C 47 173.788 173.788 174.782 -0.994 25142 2555 1 7 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.193 0.611 25142 2556 1 7 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.663 0.156 25142 2557 1 7 . 1 1 47 47 ASN H H 47 7.992 7.992 8.040 -0.048 25142 2558 1 7 . 1 1 48 48 LEU N N 48 119.211 119.211 115.493 3.718 25142 2559 1 7 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.669 0.208 25142 2560 1 7 . 1 1 48 48 LEU C C 48 176.505 176.505 176.570 -0.065 25142 2561 1 7 . 1 1 48 48 LEU CA C 48 52.832 52.832 53.157 -0.325 25142 2562 1 7 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.525 3.394 25142 2563 1 7 . 1 1 48 48 LEU H H 48 8.517 8.517 7.874 0.643 25142 2564 1 7 . 1 1 49 49 THR N N 49 109.223 109.223 113.917 -4.694 25142 2565 1 7 . 1 1 49 49 THR HA H 49 4.648 4.648 4.684 -0.036 25142 2566 1 7 . 1 1 49 49 THR C C 49 176.663 176.663 175.696 0.967 25142 2567 1 7 . 1 1 49 49 THR CA C 49 60.566 60.566 60.792 -0.226 25142 2568 1 7 . 1 1 49 49 THR CB C 49 70.824 70.824 70.359 0.465 25142 2569 1 7 . 1 1 49 49 THR H H 49 8.694 8.694 8.159 0.535 25142 2570 1 7 . 1 1 50 50 GLU N N 50 121.200 121.200 122.646 -1.446 25142 2571 1 7 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.314 -0.661 25142 2572 1 7 . 1 1 50 50 GLU C C 50 178.500 178.500 178.814 -0.314 25142 2573 1 7 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.420 0.567 25142 2574 1 7 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.929 0.003 25142 2575 1 7 . 1 1 50 50 GLU H H 50 9.184 9.184 8.932 0.252 25142 2576 1 7 . 1 1 51 51 ARG N N 51 119.168 119.168 117.795 1.373 25142 2577 1 7 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.245 -0.242 25142 2578 1 7 . 1 1 51 51 ARG C C 51 177.979 177.979 178.395 -0.416 25142 2579 1 7 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.750 0.551 25142 2580 1 7 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.842 0.231 25142 2581 1 7 . 1 1 51 51 ARG H H 51 8.220 8.220 8.668 -0.448 25142 2582 1 7 . 1 1 52 52 GLN N N 52 117.548 117.548 120.634 -3.086 25142 2583 1 7 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.091 -0.002 25142 2584 1 7 . 1 1 52 52 GLN C C 52 180.689 180.689 178.130 2.559 25142 2585 1 7 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.608 0.255 25142 2586 1 7 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.371 1.842 25142 2587 1 7 . 1 1 52 52 GLN H H 52 8.029 8.029 8.429 -0.400 25142 2588 1 7 . 1 1 53 53 VAL N N 53 121.408 121.408 118.733 2.675 25142 2589 1 7 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.773 0.040 25142 2590 1 7 . 1 1 53 53 VAL C C 53 176.662 176.662 177.275 -0.613 25142 2591 1 7 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.599 2.555 25142 2592 1 7 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.761 0.841 25142 2593 1 7 . 1 1 53 53 VAL H H 53 8.004 8.004 7.737 0.267 25142 2594 1 7 . 1 1 54 54 LYS N N 54 121.266 121.266 120.152 1.114 25142 2595 1 7 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.068 0.179 25142 2596 1 7 . 1 1 54 54 LYS C C 54 179.996 179.996 179.131 0.865 25142 2597 1 7 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.787 0.217 25142 2598 1 7 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.383 0.219 25142 2599 1 7 . 1 1 54 54 LYS H H 54 8.527 8.527 7.437 1.090 25142 2600 1 7 . 1 1 55 55 ILE N N 55 119.453 119.453 120.221 -0.768 25142 2601 1 7 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.934 -0.074 25142 2602 1 7 . 1 1 55 55 ILE C C 55 177.548 177.548 178.219 -0.671 25142 2603 1 7 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.160 -1.222 25142 2604 1 7 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.862 0.361 25142 2605 1 7 . 1 1 55 55 ILE H H 55 8.748 8.748 8.315 0.433 25142 2606 1 7 . 1 1 56 56 TRP N N 56 122.220 122.220 121.985 0.235 25142 2607 1 7 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.205 -0.298 25142 2608 1 7 . 1 1 56 56 TRP C C 56 180.094 180.094 178.005 2.089 25142 2609 1 7 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.487 2.451 25142 2610 1 7 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.477 -0.107 25142 2611 1 7 . 1 1 56 56 TRP H H 56 8.076 8.076 8.239 -0.163 25142 2612 1 7 . 1 1 57 57 PHE N N 57 119.464 119.464 118.830 0.634 25142 2613 1 7 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.862 -0.002 25142 2614 1 7 . 1 1 57 57 PHE C C 57 177.749 177.749 177.431 0.318 25142 2615 1 7 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.257 2.681 25142 2616 1 7 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.448 0.180 25142 2617 1 7 . 1 1 57 57 PHE H H 57 8.859 8.859 7.888 0.971 25142 2618 1 7 . 1 1 58 58 GLN N N 58 118.649 118.649 119.619 -0.970 25142 2619 1 7 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.845 0.158 25142 2620 1 7 . 1 1 58 58 GLN C C 58 178.888 178.888 178.181 0.707 25142 2621 1 7 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.454 -0.153 25142 2622 1 7 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.542 0.125 25142 2623 1 7 . 1 1 58 58 GLN H H 58 8.240 8.240 8.252 -0.012 25142 2624 1 7 . 1 1 59 59 ASN N N 59 118.104 118.104 117.926 0.178 25142 2625 1 7 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.236 0.081 25142 2626 1 7 . 1 1 59 59 ASN C C 59 177.504 177.504 177.296 0.208 25142 2627 1 7 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.468 -0.258 25142 2628 1 7 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.029 -0.228 25142 2629 1 7 . 1 1 59 59 ASN H H 59 8.320 8.320 7.765 0.555 25142 2630 1 7 . 1 1 60 60 ARG N N 60 122.957 122.957 119.413 3.544 25142 2631 1 7 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.702 -0.306 25142 2632 1 7 . 1 1 60 60 ARG C C 60 179.229 179.229 178.376 0.853 25142 2633 1 7 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.968 -2.337 25142 2634 1 7 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.844 -1.457 25142 2635 1 7 . 1 1 60 60 ARG H H 60 8.113 8.113 7.321 0.792 25142 2636 1 7 . 1 1 61 61 ARG N N 61 117.860 117.860 118.771 -0.911 25142 2637 1 7 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.052 0.037 25142 2638 1 7 . 1 1 61 61 ARG C C 61 178.883 178.883 178.390 0.493 25142 2639 1 7 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.967 1.896 25142 2640 1 7 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.959 0.956 25142 2641 1 7 . 1 1 61 61 ARG H H 61 7.902 7.902 7.510 0.392 25142 2642 1 7 . 1 1 62 62 MET N N 62 117.859 117.859 118.416 -0.557 25142 2643 1 7 . 1 1 62 62 MET HA H 62 4.263 4.263 4.012 0.251 25142 2644 1 7 . 1 1 62 62 MET C C 62 177.644 177.644 178.801 -1.157 25142 2645 1 7 . 1 1 62 62 MET CA C 62 57.474 57.474 59.034 -1.560 25142 2646 1 7 . 1 1 62 62 MET CB C 62 30.494 30.494 32.372 -1.878 25142 2647 1 7 . 1 1 62 62 MET H H 62 7.535 7.535 8.072 -0.537 25142 2648 1 7 . 1 1 63 63 LYS N N 63 118.415 118.415 119.165 -0.750 25142 2649 1 7 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.005 0.127 25142 2650 1 7 . 1 1 63 63 LYS C C 63 177.090 177.090 178.914 -1.824 25142 2651 1 7 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.804 -1.189 25142 2652 1 7 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.787 1.237 25142 2653 1 7 . 1 1 63 63 LYS H H 63 7.426 7.426 8.235 -0.809 25142 2654 1 7 . 1 1 64 64 MET N N 64 117.987 117.987 116.886 1.101 25142 2655 1 7 . 1 1 64 64 MET HA H 64 4.271 4.271 4.377 -0.106 25142 2656 1 7 . 1 1 64 64 MET C C 64 176.223 176.223 177.337 -1.114 25142 2657 1 7 . 1 1 64 64 MET CA C 64 57.632 57.632 57.486 0.146 25142 2658 1 7 . 1 1 64 64 MET H H 64 7.538 7.538 7.559 -0.021 25142 2659 1 7 . 1 1 65 65 LYS N N 65 120.643 120.643 117.917 2.726 25142 2660 1 7 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.363 -0.064 25142 2661 1 7 . 1 1 65 65 LYS C C 65 175.950 175.950 176.737 -0.787 25142 2662 1 7 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.349 1.283 25142 2663 1 7 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.601 1.423 25142 2664 1 7 . 1 1 65 65 LYS H H 65 7.930 7.930 7.705 0.225 25142 2665 1 7 . 1 1 66 66 LYS N N 66 122.089 122.089 118.106 3.983 25142 2666 1 7 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.476 -0.205 25142 2667 1 7 . 1 1 66 66 LYS C C 66 176.302 176.302 175.276 1.026 25142 2668 1 7 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.470 2.021 25142 2669 1 7 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.096 -0.476 25142 2670 1 7 . 1 1 66 66 LYS H H 66 8.172 8.172 7.353 0.819 25142 2671 1 7 . 1 1 67 67 MET N N 67 119.918 119.918 121.287 -1.369 25142 2672 1 7 . 1 1 67 67 MET HA H 67 4.765 4.765 4.364 0.401 25142 2673 1 7 . 1 1 67 67 MET C C 67 175.047 175.047 174.964 0.083 25142 2674 1 7 . 1 1 67 67 MET H H 67 8.056 8.056 7.480 0.576 25142 2675 1 8 . 1 1 2 2 ASN N N 2 125.670 125.670 117.285 8.385 25142 2676 1 8 . 1 1 2 2 ASN HA H 2 4.137 4.137 5.253 -1.116 25142 2677 1 8 . 1 1 2 2 ASN C C 2 170.976 170.976 175.822 -4.846 25142 2678 1 8 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.788 2.023 25142 2679 1 8 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.216 -1.328 25142 2680 1 8 . 1 1 2 2 ASN H H 2 7.926 7.926 8.083 -0.157 25142 2681 1 8 . 1 1 3 3 TRP N N 3 122.562 122.562 119.251 3.311 25142 2682 1 8 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.874 -0.112 25142 2683 1 8 . 1 1 3 3 TRP C C 3 176.062 176.062 175.385 0.677 25142 2684 1 8 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.146 -0.176 25142 2685 1 8 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.165 0.464 25142 2686 1 8 . 1 1 3 3 TRP H H 3 7.920 7.920 8.892 -0.972 25142 2687 1 8 . 1 1 4 4 ILE N N 4 122.339 122.339 117.598 4.741 25142 2688 1 8 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.873 0.298 25142 2689 1 8 . 1 1 4 4 ILE C C 4 175.825 175.825 175.889 -0.064 25142 2690 1 8 . 1 1 4 4 ILE CA C 4 61.409 61.409 60.520 0.889 25142 2691 1 8 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.633 1.012 25142 2692 1 8 . 1 1 4 4 ILE H H 4 7.893 7.893 7.412 0.481 25142 2693 1 8 . 1 1 5 5 HIS N N 5 122.699 122.699 117.222 5.477 25142 2694 1 8 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.528 0.000 25142 2695 1 8 . 1 1 5 5 HIS C C 5 175.039 175.039 175.268 -0.229 25142 2696 1 8 . 1 1 5 5 HIS CA C 5 56.069 56.069 56.410 -0.341 25142 2697 1 8 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.855 0.779 25142 2698 1 8 . 1 1 5 5 HIS H H 5 8.015 8.015 8.006 0.009 25142 2699 1 8 . 1 1 6 6 ALA N N 6 125.335 125.335 122.647 2.688 25142 2700 1 8 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.406 -0.138 25142 2701 1 8 . 1 1 6 6 ALA C C 6 177.735 177.735 176.280 1.455 25142 2702 1 8 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.204 0.493 25142 2703 1 8 . 1 1 6 6 ALA CB C 6 19.253 19.253 20.125 -0.872 25142 2704 1 8 . 1 1 6 6 ALA H H 6 8.183 8.183 7.371 0.812 25142 2705 1 8 . 1 1 7 7 ARG N N 7 120.137 120.137 121.691 -1.554 25142 2706 1 8 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.716 -0.425 25142 2707 1 8 . 1 1 7 7 ARG C C 7 176.556 176.556 175.353 1.203 25142 2708 1 8 . 1 1 7 7 ARG CA C 7 56.226 56.226 54.638 1.588 25142 2709 1 8 . 1 1 7 7 ARG CB C 7 30.933 30.933 32.745 -1.812 25142 2710 1 8 . 1 1 7 7 ARG H H 7 8.399 8.399 8.442 -0.043 25142 2711 1 8 . 1 1 9 9 THR N N 9 115.696 115.696 118.055 -2.359 25142 2712 1 8 . 1 1 9 9 THR HA H 9 4.311 4.311 4.399 -0.088 25142 2713 1 8 . 1 1 9 9 THR C C 9 174.493 174.493 173.568 0.925 25142 2714 1 8 . 1 1 9 9 THR CA C 9 61.970 61.970 62.641 -0.671 25142 2715 1 8 . 1 1 9 9 THR CB C 9 69.840 69.840 69.024 0.816 25142 2716 1 8 . 1 1 9 9 THR H H 9 8.081 8.081 8.350 -0.269 25142 2717 1 8 . 1 1 10 10 ARG N N 10 123.599 123.599 120.030 3.569 25142 2718 1 8 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.089 0.224 25142 2719 1 8 . 1 1 10 10 ARG C C 10 176.173 176.173 174.854 1.319 25142 2720 1 8 . 1 1 10 10 ARG CA C 10 56.227 56.227 57.013 -0.786 25142 2721 1 8 . 1 1 10 10 ARG CB C 10 30.933 30.933 28.849 2.084 25142 2722 1 8 . 1 1 10 10 ARG H H 10 8.275 8.275 8.500 -0.225 25142 2723 1 8 . 1 1 11 11 LYS N N 11 123.132 123.132 120.982 2.150 25142 2724 1 8 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.410 -0.112 25142 2725 1 8 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.400 0.248 25142 2726 1 8 . 1 1 11 11 LYS CB C 11 33.181 33.181 34.018 -0.837 25142 2727 1 8 . 1 1 11 11 LYS H H 11 8.334 8.334 8.272 0.062 25142 2728 1 8 . 1 1 12 12 LYS N N 12 123.229 123.229 120.280 2.949 25142 2729 1 8 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.644 -0.390 25142 2730 1 8 . 1 1 12 12 LYS C C 12 176.124 176.124 175.828 0.296 25142 2731 1 8 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.303 1.328 25142 2732 1 8 . 1 1 12 12 LYS CB C 12 33.164 33.164 34.377 -1.213 25142 2733 1 8 . 1 1 12 12 LYS H H 12 8.357 8.357 7.628 0.729 25142 2734 1 8 . 1 1 13 13 ARG N N 13 123.166 123.166 118.877 4.289 25142 2735 1 8 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.249 0.068 25142 2736 1 8 . 1 1 13 13 ARG C C 13 175.831 175.831 176.082 -0.251 25142 2737 1 8 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.900 -1.690 25142 2738 1 8 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.382 -0.309 25142 2739 1 8 . 1 1 13 13 ARG H H 13 8.439 8.439 8.679 -0.240 25142 2740 1 8 . 1 1 14 14 CYS N N 14 123.412 123.412 115.244 8.168 25142 2741 1 8 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.689 -0.075 25142 2742 1 8 . 1 1 14 14 CYS CA C 14 56.771 56.771 55.426 1.345 25142 2743 1 8 . 1 1 14 14 CYS H H 14 8.542 8.542 7.723 0.819 25142 2744 1 8 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.258 0.075 25142 2745 1 8 . 1 1 15 15 PRO C C 15 175.713 175.713 176.197 -0.484 25142 2746 1 8 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.783 0.015 25142 2747 1 8 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.666 0.374 25142 2748 1 8 . 1 1 16 16 TYR N N 16 116.961 116.961 118.653 -1.692 25142 2749 1 8 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.653 0.272 25142 2750 1 8 . 1 1 16 16 TYR C C 16 176.803 176.803 174.978 1.825 25142 2751 1 8 . 1 1 16 16 TYR CA C 16 56.583 56.583 56.748 -0.165 25142 2752 1 8 . 1 1 16 16 TYR CB C 16 40.045 40.045 37.992 2.053 25142 2753 1 8 . 1 1 16 16 TYR H H 16 7.539 7.539 7.420 0.119 25142 2754 1 8 . 1 1 17 17 THR N N 17 115.107 115.107 116.976 -1.869 25142 2755 1 8 . 1 1 17 17 THR HA H 17 4.469 4.469 4.584 -0.115 25142 2756 1 8 . 1 1 17 17 THR C C 17 175.593 175.593 176.015 -0.422 25142 2757 1 8 . 1 1 17 17 THR CA C 17 60.987 60.987 60.037 0.950 25142 2758 1 8 . 1 1 17 17 THR CB C 17 71.240 71.240 71.077 0.163 25142 2759 1 8 . 1 1 17 17 THR H H 17 9.305 9.305 8.284 1.021 25142 2760 1 8 . 1 1 18 18 LYS N N 18 123.297 123.297 121.078 2.219 25142 2761 1 8 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.082 0.009 25142 2762 1 8 . 1 1 18 18 LYS C C 18 178.363 178.363 178.561 -0.198 25142 2763 1 8 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.284 0.720 25142 2764 1 8 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.947 0.093 25142 2765 1 8 . 1 1 18 18 LYS H H 18 8.990 8.990 8.853 0.137 25142 2766 1 8 . 1 1 19 19 TYR N N 19 118.372 118.372 121.294 -2.922 25142 2767 1 8 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.127 0.044 25142 2768 1 8 . 1 1 19 19 TYR C C 19 176.959 176.959 177.498 -0.539 25142 2769 1 8 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.831 -0.422 25142 2770 1 8 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.513 0.289 25142 2771 1 8 . 1 1 19 19 TYR H H 19 8.334 8.334 7.764 0.570 25142 2772 1 8 . 1 1 20 20 GLN N N 20 116.238 116.238 117.085 -0.847 25142 2773 1 8 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.948 -0.412 25142 2774 1 8 . 1 1 20 20 GLN C C 20 177.491 177.491 178.429 -0.938 25142 2775 1 8 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.193 0.108 25142 2776 1 8 . 1 1 20 20 GLN CB C 20 28.105 28.105 27.974 0.131 25142 2777 1 8 . 1 1 20 20 GLN H H 20 7.771 7.771 7.862 -0.091 25142 2778 1 8 . 1 1 21 21 THR N N 21 112.943 112.943 114.924 -1.981 25142 2779 1 8 . 1 1 21 21 THR HA H 21 3.401 3.401 4.051 -0.650 25142 2780 1 8 . 1 1 21 21 THR C C 21 175.530 175.530 176.665 -1.135 25142 2781 1 8 . 1 1 21 21 THR CA C 21 67.451 67.451 65.451 2.000 25142 2782 1 8 . 1 1 21 21 THR CB C 21 68.856 68.856 68.795 0.061 25142 2783 1 8 . 1 1 21 21 THR H H 21 8.468 8.468 7.737 0.731 25142 2784 1 8 . 1 1 22 22 LEU N N 22 121.513 121.513 121.790 -0.277 25142 2785 1 8 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.524 -0.545 25142 2786 1 8 . 1 1 22 22 LEU C C 22 180.452 180.452 178.093 2.359 25142 2787 1 8 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.850 0.186 25142 2788 1 8 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.569 0.308 25142 2789 1 8 . 1 1 22 22 LEU H H 22 8.054 8.054 7.492 0.562 25142 2790 1 8 . 1 1 23 23 GLU N N 23 118.464 118.464 118.021 0.443 25142 2791 1 8 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.124 -0.288 25142 2792 1 8 . 1 1 23 23 GLU C C 23 179.824 179.824 179.152 0.672 25142 2793 1 8 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.421 0.177 25142 2794 1 8 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.175 1.757 25142 2795 1 8 . 1 1 23 23 GLU H H 23 7.732 7.732 7.718 0.014 25142 2796 1 8 . 1 1 24 24 LEU N N 24 124.210 124.210 120.119 4.091 25142 2797 1 8 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.241 -0.729 25142 2798 1 8 . 1 1 24 24 LEU C C 24 177.592 177.592 178.956 -1.364 25142 2799 1 8 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.313 1.145 25142 2800 1 8 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.604 -4.084 25142 2801 1 8 . 1 1 24 24 LEU H H 24 8.335 8.335 7.499 0.836 25142 2802 1 8 . 1 1 25 25 GLU N N 25 119.137 119.137 118.069 1.068 25142 2803 1 8 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.063 0.184 25142 2804 1 8 . 1 1 25 25 GLU C C 25 179.021 179.021 178.145 0.876 25142 2805 1 8 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.918 1.085 25142 2806 1 8 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.119 -0.451 25142 2807 1 8 . 1 1 25 25 GLU H H 25 7.912 7.912 8.282 -0.370 25142 2808 1 8 . 1 1 26 26 LYS N N 26 118.579 118.579 118.010 0.569 25142 2809 1 8 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.372 -0.455 25142 2810 1 8 . 1 1 26 26 LYS C C 26 179.351 179.351 178.806 0.545 25142 2811 1 8 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.264 1.739 25142 2812 1 8 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.796 -0.194 25142 2813 1 8 . 1 1 26 26 LYS H H 26 7.537 7.537 7.591 -0.054 25142 2814 1 8 . 1 1 27 27 GLU N N 27 120.048 120.048 121.043 -0.995 25142 2815 1 8 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.142 0.003 25142 2816 1 8 . 1 1 27 27 GLU C C 27 178.189 178.189 178.428 -0.239 25142 2817 1 8 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.215 0.805 25142 2818 1 8 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.004 -0.477 25142 2819 1 8 . 1 1 27 27 GLU H H 27 7.849 7.849 7.718 0.131 25142 2820 1 8 . 1 1 28 28 PHE N N 28 122.074 122.074 120.608 1.466 25142 2821 1 8 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.399 -0.041 25142 2822 1 8 . 1 1 28 28 PHE C C 28 176.148 176.148 176.721 -0.573 25142 2823 1 8 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.648 1.182 25142 2824 1 8 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.146 0.201 25142 2825 1 8 . 1 1 28 28 PHE H H 28 8.893 8.893 7.782 1.111 25142 2826 1 8 . 1 1 29 29 LEU N N 29 115.649 115.649 117.604 -1.955 25142 2827 1 8 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.106 -0.143 25142 2828 1 8 . 1 1 29 29 LEU C C 29 179.362 179.362 177.517 1.845 25142 2829 1 8 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.397 -0.047 25142 2830 1 8 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.211 1.545 25142 2831 1 8 . 1 1 29 29 LEU H H 29 7.919 7.919 7.732 0.187 25142 2832 1 8 . 1 1 30 30 PHE N N 30 119.314 119.314 117.371 1.943 25142 2833 1 8 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.234 0.211 25142 2834 1 8 . 1 1 30 30 PHE C C 30 176.451 176.451 175.929 0.522 25142 2835 1 8 . 1 1 30 30 PHE CA C 30 59.582 59.582 58.203 1.379 25142 2836 1 8 . 1 1 30 30 PHE CB C 30 39.628 39.628 37.748 1.880 25142 2837 1 8 . 1 1 30 30 PHE H H 30 7.584 7.584 8.014 -0.430 25142 2838 1 8 . 1 1 31 31 ASN N N 31 116.457 116.457 117.728 -1.271 25142 2839 1 8 . 1 1 31 31 ASN HA H 31 4.592 4.592 3.746 0.846 25142 2840 1 8 . 1 1 31 31 ASN C C 31 173.302 173.302 175.803 -2.501 25142 2841 1 8 . 1 1 31 31 ASN CA C 31 53.961 53.961 54.488 -0.527 25142 2842 1 8 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.033 1.314 25142 2843 1 8 . 1 1 31 31 ASN H H 31 8.375 8.375 7.059 1.316 25142 2844 1 8 . 1 1 32 32 MET N N 32 121.247 121.247 116.668 4.579 25142 2845 1 8 . 1 1 32 32 MET HA H 32 3.761 3.761 4.297 -0.536 25142 2846 1 8 . 1 1 32 32 MET C C 32 174.112 174.112 176.034 -1.922 25142 2847 1 8 . 1 1 32 32 MET CA C 32 57.474 57.474 56.199 1.275 25142 2848 1 8 . 1 1 32 32 MET CB C 32 33.586 33.586 34.185 -0.599 25142 2849 1 8 . 1 1 32 32 MET H H 32 8.185 8.185 7.488 0.697 25142 2850 1 8 . 1 1 33 33 TYR N N 33 115.333 115.333 117.375 -2.042 25142 2851 1 8 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.620 0.057 25142 2852 1 8 . 1 1 33 33 TYR C C 33 175.017 175.017 174.214 0.803 25142 2853 1 8 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.935 -0.742 25142 2854 1 8 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.720 -0.530 25142 2855 1 8 . 1 1 33 33 TYR H H 33 7.758 7.758 7.674 0.084 25142 2856 1 8 . 1 1 34 34 LEU N N 34 122.393 122.393 125.721 -3.328 25142 2857 1 8 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.729 -0.137 25142 2858 1 8 . 1 1 34 34 LEU C C 34 178.373 178.373 175.987 2.386 25142 2859 1 8 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.909 -0.948 25142 2860 1 8 . 1 1 34 34 LEU CB C 34 43.844 43.844 44.275 -0.431 25142 2861 1 8 . 1 1 34 34 LEU H H 34 8.293 8.293 8.420 -0.127 25142 2862 1 8 . 1 1 35 35 THR N N 35 113.078 113.078 118.627 -5.549 25142 2863 1 8 . 1 1 35 35 THR HA H 35 4.445 4.445 4.680 -0.235 25142 2864 1 8 . 1 1 35 35 THR C C 35 175.115 175.115 174.480 0.635 25142 2865 1 8 . 1 1 35 35 THR CA C 35 59.582 59.582 59.769 -0.187 25142 2866 1 8 . 1 1 35 35 THR CB C 35 70.823 70.823 70.270 0.553 25142 2867 1 8 . 1 1 35 35 THR H H 35 7.729 7.729 8.274 -0.545 25142 2868 1 8 . 1 1 36 36 ARG N N 36 122.118 122.118 122.243 -0.125 25142 2869 1 8 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.007 -0.178 25142 2870 1 8 . 1 1 36 36 ARG C C 36 178.596 178.596 177.880 0.716 25142 2871 1 8 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.116 1.028 25142 2872 1 8 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.425 -1.336 25142 2873 1 8 . 1 1 36 36 ARG H H 36 8.951 8.951 8.835 0.116 25142 2874 1 8 . 1 1 37 37 ASP N N 37 116.410 116.410 119.117 -2.707 25142 2875 1 8 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.441 -0.015 25142 2876 1 8 . 1 1 37 37 ASP C C 37 178.603 178.603 178.719 -0.116 25142 2877 1 8 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.853 -0.098 25142 2878 1 8 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.467 -0.277 25142 2879 1 8 . 1 1 37 37 ASP H H 37 8.454 8.454 7.823 0.631 25142 2880 1 8 . 1 1 38 38 ARG N N 38 121.073 121.073 119.865 1.208 25142 2881 1 8 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.486 -0.269 25142 2882 1 8 . 1 1 38 38 ARG C C 38 177.751 177.751 178.457 -0.706 25142 2883 1 8 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.197 -0.583 25142 2884 1 8 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.279 -0.347 25142 2885 1 8 . 1 1 38 38 ARG H H 38 7.795 7.795 7.786 0.009 25142 2886 1 8 . 1 1 39 39 ARG N N 39 119.603 119.603 118.991 0.612 25142 2887 1 8 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.054 -0.380 25142 2888 1 8 . 1 1 39 39 ARG C C 39 177.405 177.405 179.188 -1.783 25142 2889 1 8 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.425 0.860 25142 2890 1 8 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.982 0.091 25142 2891 1 8 . 1 1 39 39 ARG H H 39 8.650 8.650 7.598 1.052 25142 2892 1 8 . 1 1 40 40 TYR N N 40 116.995 116.995 120.582 -3.587 25142 2893 1 8 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.196 -0.125 25142 2894 1 8 . 1 1 40 40 TYR C C 40 177.632 177.632 176.895 0.737 25142 2895 1 8 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.441 1.951 25142 2896 1 8 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.629 -0.828 25142 2897 1 8 . 1 1 40 40 TYR H H 40 7.893 7.893 8.027 -0.134 25142 2898 1 8 . 1 1 41 41 GLU N N 41 120.324 120.324 118.710 1.614 25142 2899 1 8 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.723 0.416 25142 2900 1 8 . 1 1 41 41 GLU C C 41 178.263 178.263 178.968 -0.705 25142 2901 1 8 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.271 -1.235 25142 2902 1 8 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.326 0.747 25142 2903 1 8 . 1 1 41 41 GLU H H 41 7.687 7.687 7.809 -0.122 25142 2904 1 8 . 1 1 42 42 VAL N N 42 120.030 120.030 115.852 4.178 25142 2905 1 8 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.103 -0.582 25142 2906 1 8 . 1 1 42 42 VAL C C 42 177.248 177.248 177.414 -0.166 25142 2907 1 8 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.837 1.349 25142 2908 1 8 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.383 1.219 25142 2909 1 8 . 1 1 42 42 VAL H H 42 8.675 8.675 8.314 0.361 25142 2910 1 8 . 1 1 43 43 ALA N N 43 119.887 119.887 121.837 -1.950 25142 2911 1 8 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.132 -0.564 25142 2912 1 8 . 1 1 43 43 ALA C C 43 179.037 179.037 179.098 -0.061 25142 2913 1 8 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.507 1.562 25142 2914 1 8 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.577 -1.151 25142 2915 1 8 . 1 1 43 43 ALA H H 43 8.026 8.026 7.174 0.852 25142 2916 1 8 . 1 1 44 44 ARG N N 44 116.238 116.238 117.472 -1.234 25142 2917 1 8 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.084 -0.083 25142 2918 1 8 . 1 1 44 44 ARG C C 44 180.290 180.290 178.344 1.946 25142 2919 1 8 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.740 0.561 25142 2920 1 8 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.565 -0.492 25142 2921 1 8 . 1 1 44 44 ARG H H 44 7.771 7.771 7.548 0.223 25142 2922 1 8 . 1 1 45 45 VAL N N 45 118.391 118.391 114.494 3.897 25142 2923 1 8 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.054 -0.244 25142 2924 1 8 . 1 1 45 45 VAL C C 45 177.986 177.986 176.813 1.173 25142 2925 1 8 . 1 1 45 45 VAL CA C 45 65.203 65.203 65.155 0.048 25142 2926 1 8 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.258 0.344 25142 2927 1 8 . 1 1 45 45 VAL H H 45 8.250 8.250 7.489 0.761 25142 2928 1 8 . 1 1 46 46 LEU N N 46 116.008 116.008 119.527 -3.519 25142 2929 1 8 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.414 0.093 25142 2930 1 8 . 1 1 46 46 LEU C C 46 176.657 176.657 176.992 -0.335 25142 2931 1 8 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.537 0.127 25142 2932 1 8 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.262 -0.087 25142 2933 1 8 . 1 1 46 46 LEU H H 46 7.896 7.896 7.532 0.364 25142 2934 1 8 . 1 1 47 47 ASN N N 47 117.881 117.881 112.488 5.393 25142 2935 1 8 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.304 0.137 25142 2936 1 8 . 1 1 47 47 ASN C C 47 173.788 173.788 174.441 -0.653 25142 2937 1 8 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.395 0.409 25142 2938 1 8 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.117 0.701 25142 2939 1 8 . 1 1 47 47 ASN H H 47 7.992 7.992 7.850 0.142 25142 2940 1 8 . 1 1 48 48 LEU N N 48 119.211 119.211 115.638 3.573 25142 2941 1 8 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.640 0.237 25142 2942 1 8 . 1 1 48 48 LEU C C 48 176.505 176.505 176.128 0.377 25142 2943 1 8 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.845 -0.013 25142 2944 1 8 . 1 1 48 48 LEU CB C 48 47.919 47.919 43.907 4.012 25142 2945 1 8 . 1 1 48 48 LEU H H 48 8.517 8.517 7.954 0.563 25142 2946 1 8 . 1 1 49 49 THR N N 49 109.223 109.223 113.845 -4.622 25142 2947 1 8 . 1 1 49 49 THR HA H 49 4.648 4.648 4.605 0.043 25142 2948 1 8 . 1 1 49 49 THR C C 49 176.663 176.663 175.676 0.987 25142 2949 1 8 . 1 1 49 49 THR CA C 49 60.566 60.566 60.482 0.084 25142 2950 1 8 . 1 1 49 49 THR CB C 49 70.824 70.824 70.558 0.265 25142 2951 1 8 . 1 1 49 49 THR H H 49 8.694 8.694 8.119 0.575 25142 2952 1 8 . 1 1 50 50 GLU N N 50 121.200 121.200 123.593 -2.393 25142 2953 1 8 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.169 -0.516 25142 2954 1 8 . 1 1 50 50 GLU C C 50 178.500 178.500 178.511 -0.011 25142 2955 1 8 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.130 0.857 25142 2956 1 8 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.556 0.376 25142 2957 1 8 . 1 1 50 50 GLU H H 50 9.184 9.184 8.999 0.185 25142 2958 1 8 . 1 1 51 51 ARG N N 51 119.168 119.168 118.039 1.129 25142 2959 1 8 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.187 -0.184 25142 2960 1 8 . 1 1 51 51 ARG C C 51 177.979 177.979 178.437 -0.458 25142 2961 1 8 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.652 0.649 25142 2962 1 8 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.666 0.407 25142 2963 1 8 . 1 1 51 51 ARG H H 51 8.220 8.220 8.568 -0.348 25142 2964 1 8 . 1 1 52 52 GLN N N 52 117.548 117.548 120.039 -2.491 25142 2965 1 8 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.225 -0.136 25142 2966 1 8 . 1 1 52 52 GLN C C 52 180.689 180.689 178.327 2.362 25142 2967 1 8 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.741 0.122 25142 2968 1 8 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.233 1.980 25142 2969 1 8 . 1 1 52 52 GLN H H 52 8.029 8.029 8.491 -0.462 25142 2970 1 8 . 1 1 53 53 VAL N N 53 121.408 121.408 119.309 2.099 25142 2971 1 8 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.740 0.073 25142 2972 1 8 . 1 1 53 53 VAL C C 53 176.662 176.662 177.324 -0.662 25142 2973 1 8 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.907 2.247 25142 2974 1 8 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.783 0.819 25142 2975 1 8 . 1 1 53 53 VAL H H 53 8.004 8.004 7.958 0.046 25142 2976 1 8 . 1 1 54 54 LYS N N 54 121.266 121.266 119.977 1.289 25142 2977 1 8 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.011 0.236 25142 2978 1 8 . 1 1 54 54 LYS C C 54 179.996 179.996 179.215 0.781 25142 2979 1 8 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.839 0.165 25142 2980 1 8 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.358 0.244 25142 2981 1 8 . 1 1 54 54 LYS H H 54 8.527 8.527 7.480 1.047 25142 2982 1 8 . 1 1 55 55 ILE N N 55 119.453 119.453 119.476 -0.023 25142 2983 1 8 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.832 0.028 25142 2984 1 8 . 1 1 55 55 ILE C C 55 177.548 177.548 177.774 -0.226 25142 2985 1 8 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.275 -1.337 25142 2986 1 8 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.650 0.573 25142 2987 1 8 . 1 1 55 55 ILE H H 55 8.748 8.748 8.244 0.504 25142 2988 1 8 . 1 1 56 56 TRP N N 56 122.220 122.220 121.562 0.658 25142 2989 1 8 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.309 -0.402 25142 2990 1 8 . 1 1 56 56 TRP C C 56 180.094 180.094 177.750 2.344 25142 2991 1 8 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.680 2.258 25142 2992 1 8 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.558 -0.188 25142 2993 1 8 . 1 1 56 56 TRP H H 56 8.076 8.076 8.323 -0.247 25142 2994 1 8 . 1 1 57 57 PHE N N 57 119.464 119.464 119.649 -0.185 25142 2995 1 8 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.861 -0.001 25142 2996 1 8 . 1 1 57 57 PHE C C 57 177.749 177.749 177.230 0.519 25142 2997 1 8 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.412 2.526 25142 2998 1 8 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.329 0.299 25142 2999 1 8 . 1 1 57 57 PHE H H 57 8.859 8.859 7.797 1.062 25142 3000 1 8 . 1 1 58 58 GLN N N 58 118.649 118.649 118.524 0.125 25142 3001 1 8 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.849 0.154 25142 3002 1 8 . 1 1 58 58 GLN C C 58 178.888 178.888 178.397 0.491 25142 3003 1 8 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.236 0.065 25142 3004 1 8 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.562 0.105 25142 3005 1 8 . 1 1 58 58 GLN H H 58 8.240 8.240 8.391 -0.151 25142 3006 1 8 . 1 1 59 59 ASN N N 59 118.104 118.104 117.998 0.106 25142 3007 1 8 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.320 -0.003 25142 3008 1 8 . 1 1 59 59 ASN C C 59 177.504 177.504 177.316 0.188 25142 3009 1 8 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.004 0.206 25142 3010 1 8 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.954 -0.153 25142 3011 1 8 . 1 1 59 59 ASN H H 59 8.320 8.320 8.083 0.237 25142 3012 1 8 . 1 1 60 60 ARG N N 60 122.957 122.957 119.142 3.815 25142 3013 1 8 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.760 -0.364 25142 3014 1 8 . 1 1 60 60 ARG C C 60 179.229 179.229 177.885 1.344 25142 3015 1 8 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.575 -1.944 25142 3016 1 8 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.884 -1.497 25142 3017 1 8 . 1 1 60 60 ARG H H 60 8.113 8.113 7.474 0.639 25142 3018 1 8 . 1 1 61 61 ARG N N 61 117.860 117.860 118.066 -0.206 25142 3019 1 8 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.031 0.058 25142 3020 1 8 . 1 1 61 61 ARG C C 61 178.883 178.883 178.291 0.592 25142 3021 1 8 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.275 1.588 25142 3022 1 8 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.390 0.525 25142 3023 1 8 . 1 1 61 61 ARG H H 61 7.902 7.902 7.427 0.475 25142 3024 1 8 . 1 1 62 62 MET N N 62 117.859 117.859 118.270 -0.411 25142 3025 1 8 . 1 1 62 62 MET HA H 62 4.263 4.263 4.014 0.249 25142 3026 1 8 . 1 1 62 62 MET C C 62 177.644 177.644 178.473 -0.829 25142 3027 1 8 . 1 1 62 62 MET CA C 62 57.474 57.474 58.942 -1.468 25142 3028 1 8 . 1 1 62 62 MET CB C 62 30.494 30.494 32.311 -1.817 25142 3029 1 8 . 1 1 62 62 MET H H 62 7.535 7.535 7.951 -0.416 25142 3030 1 8 . 1 1 63 63 LYS N N 63 118.415 118.415 117.899 0.516 25142 3031 1 8 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.060 0.072 25142 3032 1 8 . 1 1 63 63 LYS C C 63 177.090 177.090 178.779 -1.689 25142 3033 1 8 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.630 -1.015 25142 3034 1 8 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.983 1.041 25142 3035 1 8 . 1 1 63 63 LYS H H 63 7.426 7.426 7.635 -0.209 25142 3036 1 8 . 1 1 64 64 MET N N 64 117.987 117.987 117.269 0.718 25142 3037 1 8 . 1 1 64 64 MET HA H 64 4.271 4.271 4.397 -0.126 25142 3038 1 8 . 1 1 64 64 MET C C 64 176.223 176.223 176.968 -0.745 25142 3039 1 8 . 1 1 64 64 MET CA C 64 57.632 57.632 57.476 0.156 25142 3040 1 8 . 1 1 64 64 MET H H 64 7.538 7.538 7.588 -0.050 25142 3041 1 8 . 1 1 65 65 LYS N N 65 120.643 120.643 118.188 2.455 25142 3042 1 8 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.218 0.081 25142 3043 1 8 . 1 1 65 65 LYS C C 65 175.950 175.950 176.638 -0.688 25142 3044 1 8 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.766 0.866 25142 3045 1 8 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.012 2.012 25142 3046 1 8 . 1 1 65 65 LYS H H 65 7.930 7.930 7.374 0.556 25142 3047 1 8 . 1 1 66 66 LYS N N 66 122.089 122.089 119.793 2.296 25142 3048 1 8 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.148 0.123 25142 3049 1 8 . 1 1 66 66 LYS C C 66 176.302 176.302 176.335 -0.033 25142 3050 1 8 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.722 0.769 25142 3051 1 8 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.924 -0.304 25142 3052 1 8 . 1 1 66 66 LYS H H 66 8.172 8.172 7.525 0.647 25142 3053 1 8 . 1 1 67 67 MET N N 67 119.918 119.918 114.980 4.938 25142 3054 1 8 . 1 1 67 67 MET HA H 67 4.765 4.765 3.984 0.781 25142 3055 1 8 . 1 1 67 67 MET C C 67 175.047 175.047 175.126 -0.079 25142 3056 1 8 . 1 1 67 67 MET H H 67 8.056 8.056 7.594 0.462 25142 3057 1 9 . 1 1 2 2 ASN N N 2 125.670 125.670 116.189 9.481 25142 3058 1 9 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.466 -0.329 25142 3059 1 9 . 1 1 2 2 ASN C C 2 170.976 170.976 174.641 -3.665 25142 3060 1 9 . 1 1 2 2 ASN CA C 2 53.812 53.812 54.211 -0.399 25142 3061 1 9 . 1 1 2 2 ASN CB C 2 38.888 38.888 37.488 1.400 25142 3062 1 9 . 1 1 2 2 ASN H H 2 7.926 7.926 8.298 -0.372 25142 3063 1 9 . 1 1 3 3 TRP N N 3 122.562 122.562 113.806 8.756 25142 3064 1 9 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.911 -0.149 25142 3065 1 9 . 1 1 3 3 TRP C C 3 176.062 176.062 176.698 -0.636 25142 3066 1 9 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.648 0.322 25142 3067 1 9 . 1 1 3 3 TRP CB C 3 29.629 29.629 28.634 0.995 25142 3068 1 9 . 1 1 3 3 TRP H H 3 7.920 7.920 7.754 0.166 25142 3069 1 9 . 1 1 4 4 ILE N N 4 122.339 122.339 121.016 1.323 25142 3070 1 9 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.188 -0.017 25142 3071 1 9 . 1 1 4 4 ILE C C 4 175.825 175.825 176.837 -1.012 25142 3072 1 9 . 1 1 4 4 ILE CA C 4 61.409 61.409 63.387 -1.978 25142 3073 1 9 . 1 1 4 4 ILE CB C 4 38.645 38.645 38.663 -0.018 25142 3074 1 9 . 1 1 4 4 ILE H H 4 7.893 7.893 7.583 0.310 25142 3075 1 9 . 1 1 5 5 HIS N N 5 122.699 122.699 117.756 4.943 25142 3076 1 9 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.689 -0.161 25142 3077 1 9 . 1 1 5 5 HIS C C 5 175.039 175.039 174.448 0.591 25142 3078 1 9 . 1 1 5 5 HIS CA C 5 56.069 56.069 56.106 -0.037 25142 3079 1 9 . 1 1 5 5 HIS CB C 5 30.634 30.634 32.205 -1.571 25142 3080 1 9 . 1 1 5 5 HIS H H 5 8.015 8.015 7.846 0.169 25142 3081 1 9 . 1 1 6 6 ALA N N 6 125.335 125.335 123.204 2.131 25142 3082 1 9 . 1 1 6 6 ALA HA H 6 4.268 4.268 3.882 0.386 25142 3083 1 9 . 1 1 6 6 ALA C C 6 177.735 177.735 176.279 1.456 25142 3084 1 9 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.908 -0.212 25142 3085 1 9 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.521 0.732 25142 3086 1 9 . 1 1 6 6 ALA H H 6 8.183 8.183 7.951 0.232 25142 3087 1 9 . 1 1 7 7 ARG N N 7 120.137 120.137 120.983 -0.846 25142 3088 1 9 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.505 -0.214 25142 3089 1 9 . 1 1 7 7 ARG C C 7 176.556 176.556 175.480 1.076 25142 3090 1 9 . 1 1 7 7 ARG CA C 7 56.226 56.226 56.030 0.196 25142 3091 1 9 . 1 1 7 7 ARG CB C 7 30.933 30.933 31.008 -0.075 25142 3092 1 9 . 1 1 7 7 ARG H H 7 8.399 8.399 8.567 -0.168 25142 3093 1 9 . 1 1 9 9 THR N N 9 115.696 115.696 117.951 -2.255 25142 3094 1 9 . 1 1 9 9 THR HA H 9 4.311 4.311 4.255 0.056 25142 3095 1 9 . 1 1 9 9 THR C C 9 174.493 174.493 173.439 1.054 25142 3096 1 9 . 1 1 9 9 THR CA C 9 61.970 61.970 62.758 -0.788 25142 3097 1 9 . 1 1 9 9 THR CB C 9 69.840 69.840 69.370 0.470 25142 3098 1 9 . 1 1 9 9 THR H H 9 8.081 8.081 8.321 -0.240 25142 3099 1 9 . 1 1 10 10 ARG N N 10 123.599 123.599 121.731 1.868 25142 3100 1 9 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.324 -0.011 25142 3101 1 9 . 1 1 10 10 ARG C C 10 176.173 176.173 176.186 -0.013 25142 3102 1 9 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.347 -0.120 25142 3103 1 9 . 1 1 10 10 ARG CB C 10 30.933 30.933 31.275 -0.342 25142 3104 1 9 . 1 1 10 10 ARG H H 10 8.275 8.275 8.376 -0.101 25142 3105 1 9 . 1 1 11 11 LYS N N 11 123.132 123.132 122.015 1.117 25142 3106 1 9 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.454 -0.156 25142 3107 1 9 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.606 0.042 25142 3108 1 9 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.957 0.224 25142 3109 1 9 . 1 1 11 11 LYS H H 11 8.334 8.334 8.716 -0.382 25142 3110 1 9 . 1 1 12 12 LYS N N 12 123.229 123.229 118.658 4.571 25142 3111 1 9 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.621 -0.367 25142 3112 1 9 . 1 1 12 12 LYS C C 12 176.124 176.124 175.917 0.207 25142 3113 1 9 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.028 0.603 25142 3114 1 9 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.498 -0.334 25142 3115 1 9 . 1 1 12 12 LYS H H 12 8.357 8.357 7.789 0.568 25142 3116 1 9 . 1 1 13 13 ARG N N 13 123.166 123.166 121.103 2.063 25142 3117 1 9 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.549 -0.232 25142 3118 1 9 . 1 1 13 13 ARG C C 13 175.831 175.831 176.891 -1.060 25142 3119 1 9 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.625 -1.415 25142 3120 1 9 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.240 -0.167 25142 3121 1 9 . 1 1 13 13 ARG H H 13 8.439 8.439 8.754 -0.315 25142 3122 1 9 . 1 1 14 14 CYS N N 14 123.412 123.412 117.748 5.664 25142 3123 1 9 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.354 0.260 25142 3124 1 9 . 1 1 14 14 CYS CA C 14 56.771 56.771 62.136 -5.365 25142 3125 1 9 . 1 1 14 14 CYS H H 14 8.542 8.542 8.107 0.435 25142 3126 1 9 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.211 0.122 25142 3127 1 9 . 1 1 15 15 PRO C C 15 175.713 175.713 176.458 -0.745 25142 3128 1 9 . 1 1 15 15 PRO CA C 15 63.798 63.798 64.038 -0.240 25142 3129 1 9 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.650 0.390 25142 3130 1 9 . 1 1 16 16 TYR N N 16 116.961 116.961 118.292 -1.331 25142 3131 1 9 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.385 0.540 25142 3132 1 9 . 1 1 16 16 TYR C C 16 176.803 176.803 175.848 0.955 25142 3133 1 9 . 1 1 16 16 TYR CA C 16 56.583 56.583 59.227 -2.644 25142 3134 1 9 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.157 1.889 25142 3135 1 9 . 1 1 16 16 TYR H H 16 7.539 7.539 7.709 -0.170 25142 3136 1 9 . 1 1 17 17 THR N N 17 115.107 115.107 117.547 -2.440 25142 3137 1 9 . 1 1 17 17 THR HA H 17 4.469 4.469 4.752 -0.283 25142 3138 1 9 . 1 1 17 17 THR C C 17 175.593 175.593 175.896 -0.303 25142 3139 1 9 . 1 1 17 17 THR CA C 17 60.987 60.987 59.263 1.724 25142 3140 1 9 . 1 1 17 17 THR CB C 17 71.240 71.240 70.567 0.673 25142 3141 1 9 . 1 1 17 17 THR H H 17 9.305 9.305 8.148 1.157 25142 3142 1 9 . 1 1 18 18 LYS N N 18 123.297 123.297 121.188 2.109 25142 3143 1 9 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.050 0.041 25142 3144 1 9 . 1 1 18 18 LYS C C 18 178.363 178.363 178.345 0.018 25142 3145 1 9 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.168 0.836 25142 3146 1 9 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.087 -0.047 25142 3147 1 9 . 1 1 18 18 LYS H H 18 8.990 8.990 8.918 0.072 25142 3148 1 9 . 1 1 19 19 TYR N N 19 118.372 118.372 121.614 -3.242 25142 3149 1 9 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.101 0.070 25142 3150 1 9 . 1 1 19 19 TYR C C 19 176.959 176.959 177.486 -0.527 25142 3151 1 9 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.648 -0.239 25142 3152 1 9 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.371 0.431 25142 3153 1 9 . 1 1 19 19 TYR H H 19 8.334 8.334 7.672 0.662 25142 3154 1 9 . 1 1 20 20 GLN N N 20 116.238 116.238 116.473 -0.235 25142 3155 1 9 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.922 -0.386 25142 3156 1 9 . 1 1 20 20 GLN C C 20 177.491 177.491 178.518 -1.027 25142 3157 1 9 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.375 -0.074 25142 3158 1 9 . 1 1 20 20 GLN CB C 20 28.105 28.105 27.717 0.388 25142 3159 1 9 . 1 1 20 20 GLN H H 20 7.771 7.771 8.029 -0.258 25142 3160 1 9 . 1 1 21 21 THR N N 21 112.943 112.943 114.940 -1.997 25142 3161 1 9 . 1 1 21 21 THR HA H 21 3.401 3.401 4.169 -0.768 25142 3162 1 9 . 1 1 21 21 THR C C 21 175.530 175.530 176.717 -1.187 25142 3163 1 9 . 1 1 21 21 THR CA C 21 67.451 67.451 65.356 2.095 25142 3164 1 9 . 1 1 21 21 THR CB C 21 68.856 68.856 68.802 0.054 25142 3165 1 9 . 1 1 21 21 THR H H 21 8.468 8.468 7.694 0.774 25142 3166 1 9 . 1 1 22 22 LEU N N 22 121.513 121.513 121.825 -0.312 25142 3167 1 9 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.471 -0.492 25142 3168 1 9 . 1 1 22 22 LEU C C 22 180.452 180.452 178.184 2.268 25142 3169 1 9 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.976 0.060 25142 3170 1 9 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.527 0.350 25142 3171 1 9 . 1 1 22 22 LEU H H 22 8.054 8.054 7.560 0.494 25142 3172 1 9 . 1 1 23 23 GLU N N 23 118.464 118.464 117.949 0.515 25142 3173 1 9 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.109 -0.273 25142 3174 1 9 . 1 1 23 23 GLU C C 23 179.824 179.824 179.193 0.631 25142 3175 1 9 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.326 0.272 25142 3176 1 9 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.294 1.638 25142 3177 1 9 . 1 1 23 23 GLU H H 23 7.732 7.732 7.657 0.075 25142 3178 1 9 . 1 1 24 24 LEU N N 24 124.210 124.210 119.676 4.534 25142 3179 1 9 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.075 -0.563 25142 3180 1 9 . 1 1 24 24 LEU C C 24 177.592 177.592 178.797 -1.205 25142 3181 1 9 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.579 0.879 25142 3182 1 9 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.010 -4.490 25142 3183 1 9 . 1 1 24 24 LEU H H 24 8.335 8.335 7.535 0.800 25142 3184 1 9 . 1 1 25 25 GLU N N 25 119.137 119.137 117.982 1.155 25142 3185 1 9 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.077 0.170 25142 3186 1 9 . 1 1 25 25 GLU C C 25 179.021 179.021 177.985 1.036 25142 3187 1 9 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.755 1.248 25142 3188 1 9 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.157 -0.489 25142 3189 1 9 . 1 1 25 25 GLU H H 25 7.912 7.912 8.072 -0.160 25142 3190 1 9 . 1 1 26 26 LYS N N 26 118.579 118.579 117.657 0.922 25142 3191 1 9 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.297 -0.380 25142 3192 1 9 . 1 1 26 26 LYS C C 26 179.351 179.351 178.731 0.620 25142 3193 1 9 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.590 2.413 25142 3194 1 9 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.452 0.150 25142 3195 1 9 . 1 1 26 26 LYS H H 26 7.537 7.537 7.640 -0.103 25142 3196 1 9 . 1 1 27 27 GLU N N 27 120.048 120.048 120.381 -0.333 25142 3197 1 9 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.157 -0.012 25142 3198 1 9 . 1 1 27 27 GLU C C 27 178.189 178.189 177.990 0.199 25142 3199 1 9 . 1 1 27 27 GLU CA C 27 59.020 59.020 57.849 1.171 25142 3200 1 9 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.287 -0.760 25142 3201 1 9 . 1 1 27 27 GLU H H 27 7.849 7.849 7.551 0.298 25142 3202 1 9 . 1 1 28 28 PHE N N 28 122.074 122.074 120.727 1.347 25142 3203 1 9 . 1 1 28 28 PHE HA H 28 4.358 4.358 3.795 0.563 25142 3204 1 9 . 1 1 28 28 PHE C C 28 176.148 176.148 176.473 -0.325 25142 3205 1 9 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.609 1.221 25142 3206 1 9 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.899 0.448 25142 3207 1 9 . 1 1 28 28 PHE H H 28 8.893 8.893 7.562 1.331 25142 3208 1 9 . 1 1 29 29 LEU N N 29 115.649 115.649 119.535 -3.886 25142 3209 1 9 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.735 0.228 25142 3210 1 9 . 1 1 29 29 LEU C C 29 179.362 179.362 177.999 1.363 25142 3211 1 9 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.719 -0.369 25142 3212 1 9 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.900 0.856 25142 3213 1 9 . 1 1 29 29 LEU H H 29 7.919 7.919 7.498 0.421 25142 3214 1 9 . 1 1 30 30 PHE N N 30 119.314 119.314 119.598 -0.284 25142 3215 1 9 . 1 1 30 30 PHE HA H 30 4.445 4.445 3.980 0.465 25142 3216 1 9 . 1 1 30 30 PHE C C 30 176.451 176.451 176.890 -0.439 25142 3217 1 9 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.486 -0.904 25142 3218 1 9 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.884 0.744 25142 3219 1 9 . 1 1 30 30 PHE H H 30 7.584 7.584 8.182 -0.598 25142 3220 1 9 . 1 1 31 31 ASN N N 31 116.457 116.457 117.988 -1.531 25142 3221 1 9 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.257 0.335 25142 3222 1 9 . 1 1 31 31 ASN C C 31 173.302 173.302 176.460 -3.158 25142 3223 1 9 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.642 -1.681 25142 3224 1 9 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.580 0.767 25142 3225 1 9 . 1 1 31 31 ASN H H 31 8.375 8.375 7.986 0.389 25142 3226 1 9 . 1 1 32 32 MET N N 32 121.247 121.247 115.230 6.017 25142 3227 1 9 . 1 1 32 32 MET HA H 32 3.761 3.761 4.509 -0.748 25142 3228 1 9 . 1 1 32 32 MET C C 32 174.112 174.112 176.185 -2.073 25142 3229 1 9 . 1 1 32 32 MET CA C 32 57.474 57.474 56.643 0.831 25142 3230 1 9 . 1 1 32 32 MET CB C 32 33.586 33.586 34.417 -0.831 25142 3231 1 9 . 1 1 32 32 MET H H 32 8.185 8.185 7.377 0.808 25142 3232 1 9 . 1 1 33 33 TYR N N 33 115.333 115.333 114.244 1.089 25142 3233 1 9 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.660 0.017 25142 3234 1 9 . 1 1 33 33 TYR C C 33 175.017 175.017 173.543 1.474 25142 3235 1 9 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.347 -0.154 25142 3236 1 9 . 1 1 33 33 TYR CB C 33 40.190 40.190 39.244 0.946 25142 3237 1 9 . 1 1 33 33 TYR H H 33 7.758 7.758 7.323 0.435 25142 3238 1 9 . 1 1 34 34 LEU N N 34 122.393 122.393 123.921 -1.528 25142 3239 1 9 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.865 -0.273 25142 3240 1 9 . 1 1 34 34 LEU C C 34 178.373 178.373 175.485 2.888 25142 3241 1 9 . 1 1 34 34 LEU CA C 34 53.961 53.961 53.780 0.181 25142 3242 1 9 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.626 -1.782 25142 3243 1 9 . 1 1 34 34 LEU H H 34 8.293 8.293 8.172 0.121 25142 3244 1 9 . 1 1 35 35 THR N N 35 113.078 113.078 116.484 -3.406 25142 3245 1 9 . 1 1 35 35 THR HA H 35 4.445 4.445 4.822 -0.377 25142 3246 1 9 . 1 1 35 35 THR C C 35 175.115 175.115 175.676 -0.561 25142 3247 1 9 . 1 1 35 35 THR CA C 35 59.582 59.582 60.154 -0.572 25142 3248 1 9 . 1 1 35 35 THR CB C 35 70.823 70.823 70.493 0.330 25142 3249 1 9 . 1 1 35 35 THR H H 35 7.729 7.729 8.079 -0.350 25142 3250 1 9 . 1 1 36 36 ARG N N 36 122.118 122.118 122.619 -0.501 25142 3251 1 9 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.059 -0.230 25142 3252 1 9 . 1 1 36 36 ARG C C 36 178.596 178.596 178.162 0.434 25142 3253 1 9 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.447 0.697 25142 3254 1 9 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.335 -1.246 25142 3255 1 9 . 1 1 36 36 ARG H H 36 8.951 8.951 8.849 0.102 25142 3256 1 9 . 1 1 37 37 ASP N N 37 116.410 116.410 119.425 -3.015 25142 3257 1 9 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.404 0.022 25142 3258 1 9 . 1 1 37 37 ASP C C 37 178.603 178.603 178.593 0.010 25142 3259 1 9 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.538 0.217 25142 3260 1 9 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.512 -0.322 25142 3261 1 9 . 1 1 37 37 ASP H H 37 8.454 8.454 7.784 0.670 25142 3262 1 9 . 1 1 38 38 ARG N N 38 121.073 121.073 119.455 1.618 25142 3263 1 9 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.491 -0.274 25142 3264 1 9 . 1 1 38 38 ARG C C 38 177.751 177.751 178.723 -0.972 25142 3265 1 9 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.205 -0.591 25142 3266 1 9 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.166 -0.234 25142 3267 1 9 . 1 1 38 38 ARG H H 38 7.795 7.795 7.606 0.189 25142 3268 1 9 . 1 1 39 39 ARG N N 39 119.603 119.603 119.131 0.472 25142 3269 1 9 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.064 -0.390 25142 3270 1 9 . 1 1 39 39 ARG C C 39 177.405 177.405 179.363 -1.958 25142 3271 1 9 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.420 0.865 25142 3272 1 9 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.042 0.031 25142 3273 1 9 . 1 1 39 39 ARG H H 39 8.650 8.650 7.598 1.052 25142 3274 1 9 . 1 1 40 40 TYR N N 40 116.995 116.995 121.253 -4.258 25142 3275 1 9 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.277 -0.206 25142 3276 1 9 . 1 1 40 40 TYR C C 40 177.632 177.632 176.718 0.914 25142 3277 1 9 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.362 2.030 25142 3278 1 9 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.970 -1.169 25142 3279 1 9 . 1 1 40 40 TYR H H 40 7.893 7.893 8.375 -0.482 25142 3280 1 9 . 1 1 41 41 GLU N N 41 120.324 120.324 118.780 1.544 25142 3281 1 9 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.755 0.384 25142 3282 1 9 . 1 1 41 41 GLU C C 41 178.263 178.263 178.998 -0.735 25142 3283 1 9 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.374 -1.338 25142 3284 1 9 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.305 0.768 25142 3285 1 9 . 1 1 41 41 GLU H H 41 7.687 7.687 7.926 -0.239 25142 3286 1 9 . 1 1 42 42 VAL N N 42 120.030 120.030 115.875 4.155 25142 3287 1 9 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.187 -0.666 25142 3288 1 9 . 1 1 42 42 VAL C C 42 177.248 177.248 177.461 -0.213 25142 3289 1 9 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.684 1.502 25142 3290 1 9 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.367 1.235 25142 3291 1 9 . 1 1 42 42 VAL H H 42 8.675 8.675 8.253 0.422 25142 3292 1 9 . 1 1 43 43 ALA N N 43 119.887 119.887 122.066 -2.179 25142 3293 1 9 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.115 -0.547 25142 3294 1 9 . 1 1 43 43 ALA C C 43 179.037 179.037 179.336 -0.299 25142 3295 1 9 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.505 1.564 25142 3296 1 9 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.528 -1.102 25142 3297 1 9 . 1 1 43 43 ALA H H 43 8.026 8.026 7.250 0.776 25142 3298 1 9 . 1 1 44 44 ARG N N 44 116.238 116.238 117.402 -1.164 25142 3299 1 9 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.036 -0.035 25142 3300 1 9 . 1 1 44 44 ARG C C 44 180.290 180.290 178.536 1.754 25142 3301 1 9 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.848 1.453 25142 3302 1 9 . 1 1 44 44 ARG CB C 44 30.073 30.073 29.944 0.129 25142 3303 1 9 . 1 1 44 44 ARG H H 44 7.771 7.771 7.841 -0.070 25142 3304 1 9 . 1 1 45 45 VAL N N 45 118.391 118.391 114.613 3.778 25142 3305 1 9 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.144 -0.334 25142 3306 1 9 . 1 1 45 45 VAL C C 45 177.986 177.986 177.124 0.862 25142 3307 1 9 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.562 0.641 25142 3308 1 9 . 1 1 45 45 VAL CB C 45 32.602 32.602 31.949 0.653 25142 3309 1 9 . 1 1 45 45 VAL H H 45 8.250 8.250 7.509 0.741 25142 3310 1 9 . 1 1 46 46 LEU N N 46 116.008 116.008 119.048 -3.040 25142 3311 1 9 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.453 0.054 25142 3312 1 9 . 1 1 46 46 LEU C C 46 176.657 176.657 176.543 0.114 25142 3313 1 9 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.573 0.091 25142 3314 1 9 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.363 -0.188 25142 3315 1 9 . 1 1 46 46 LEU H H 46 7.896 7.896 7.425 0.471 25142 3316 1 9 . 1 1 47 47 ASN N N 47 117.881 117.881 115.274 2.607 25142 3317 1 9 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.363 0.078 25142 3318 1 9 . 1 1 47 47 ASN C C 47 173.788 173.788 174.260 -0.472 25142 3319 1 9 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.336 0.468 25142 3320 1 9 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.544 0.275 25142 3321 1 9 . 1 1 47 47 ASN H H 47 7.992 7.992 7.894 0.098 25142 3322 1 9 . 1 1 48 48 LEU N N 48 119.211 119.211 117.577 1.634 25142 3323 1 9 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.657 0.220 25142 3324 1 9 . 1 1 48 48 LEU C C 48 176.505 176.505 175.778 0.727 25142 3325 1 9 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.341 0.491 25142 3326 1 9 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.117 3.801 25142 3327 1 9 . 1 1 48 48 LEU H H 48 8.517 8.517 7.796 0.721 25142 3328 1 9 . 1 1 49 49 THR N N 49 109.223 109.223 114.049 -4.826 25142 3329 1 9 . 1 1 49 49 THR HA H 49 4.648 4.648 4.574 0.074 25142 3330 1 9 . 1 1 49 49 THR C C 49 176.663 176.663 175.256 1.407 25142 3331 1 9 . 1 1 49 49 THR CA C 49 60.566 60.566 60.850 -0.284 25142 3332 1 9 . 1 1 49 49 THR CB C 49 70.824 70.824 70.817 0.007 25142 3333 1 9 . 1 1 49 49 THR H H 49 8.694 8.694 8.082 0.612 25142 3334 1 9 . 1 1 50 50 GLU N N 50 121.200 121.200 123.713 -2.513 25142 3335 1 9 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.086 -0.433 25142 3336 1 9 . 1 1 50 50 GLU C C 50 178.500 178.500 178.771 -0.271 25142 3337 1 9 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.533 0.454 25142 3338 1 9 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.552 0.380 25142 3339 1 9 . 1 1 50 50 GLU H H 50 9.184 9.184 9.025 0.159 25142 3340 1 9 . 1 1 51 51 ARG N N 51 119.168 119.168 118.640 0.528 25142 3341 1 9 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.251 -0.248 25142 3342 1 9 . 1 1 51 51 ARG C C 51 177.979 177.979 178.182 -0.203 25142 3343 1 9 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.794 0.507 25142 3344 1 9 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.893 0.180 25142 3345 1 9 . 1 1 51 51 ARG H H 51 8.220 8.220 8.279 -0.059 25142 3346 1 9 . 1 1 52 52 GLN N N 52 117.548 117.548 119.410 -1.862 25142 3347 1 9 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.175 -0.086 25142 3348 1 9 . 1 1 52 52 GLN C C 52 180.689 180.689 177.932 2.757 25142 3349 1 9 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.044 0.819 25142 3350 1 9 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.087 2.126 25142 3351 1 9 . 1 1 52 52 GLN H H 52 8.029 8.029 8.199 -0.170 25142 3352 1 9 . 1 1 53 53 VAL N N 53 121.408 121.408 119.298 2.110 25142 3353 1 9 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.908 -0.095 25142 3354 1 9 . 1 1 53 53 VAL C C 53 176.662 176.662 177.126 -0.464 25142 3355 1 9 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.385 2.769 25142 3356 1 9 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.597 1.005 25142 3357 1 9 . 1 1 53 53 VAL H H 53 8.004 8.004 7.912 0.092 25142 3358 1 9 . 1 1 54 54 LYS N N 54 121.266 121.266 119.114 2.152 25142 3359 1 9 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.105 0.142 25142 3360 1 9 . 1 1 54 54 LYS C C 54 179.996 179.996 179.017 0.979 25142 3361 1 9 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.076 0.928 25142 3362 1 9 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.762 0.841 25142 3363 1 9 . 1 1 54 54 LYS H H 54 8.527 8.527 7.331 1.196 25142 3364 1 9 . 1 1 55 55 ILE N N 55 119.453 119.453 120.237 -0.784 25142 3365 1 9 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.789 0.071 25142 3366 1 9 . 1 1 55 55 ILE C C 55 177.548 177.548 177.527 0.021 25142 3367 1 9 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.094 -1.156 25142 3368 1 9 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.821 0.402 25142 3369 1 9 . 1 1 55 55 ILE H H 55 8.748 8.748 8.286 0.462 25142 3370 1 9 . 1 1 56 56 TRP N N 56 122.220 122.220 122.480 -0.260 25142 3371 1 9 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.261 -0.354 25142 3372 1 9 . 1 1 56 56 TRP C C 56 180.094 180.094 177.500 2.594 25142 3373 1 9 . 1 1 56 56 TRP CA C 56 63.938 63.938 60.745 3.193 25142 3374 1 9 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.986 -0.616 25142 3375 1 9 . 1 1 56 56 TRP H H 56 8.076 8.076 7.789 0.287 25142 3376 1 9 . 1 1 57 57 PHE N N 57 119.464 119.464 119.942 -0.478 25142 3377 1 9 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.022 -0.162 25142 3378 1 9 . 1 1 57 57 PHE C C 57 177.749 177.749 177.276 0.473 25142 3379 1 9 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.390 2.548 25142 3380 1 9 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.081 0.547 25142 3381 1 9 . 1 1 57 57 PHE H H 57 8.859 8.859 7.811 1.048 25142 3382 1 9 . 1 1 58 58 GLN N N 58 118.649 118.649 118.407 0.242 25142 3383 1 9 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.694 0.309 25142 3384 1 9 . 1 1 58 58 GLN C C 58 178.888 178.888 178.522 0.366 25142 3385 1 9 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.126 0.175 25142 3386 1 9 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.457 0.210 25142 3387 1 9 . 1 1 58 58 GLN H H 58 8.240 8.240 7.869 0.371 25142 3388 1 9 . 1 1 59 59 ASN N N 59 118.104 118.104 117.730 0.374 25142 3389 1 9 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.332 -0.015 25142 3390 1 9 . 1 1 59 59 ASN C C 59 177.504 177.504 177.377 0.127 25142 3391 1 9 . 1 1 59 59 ASN CA C 59 56.210 56.210 55.969 0.241 25142 3392 1 9 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.402 -0.601 25142 3393 1 9 . 1 1 59 59 ASN H H 59 8.320 8.320 7.969 0.351 25142 3394 1 9 . 1 1 60 60 ARG N N 60 122.957 122.957 118.987 3.970 25142 3395 1 9 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.720 -0.324 25142 3396 1 9 . 1 1 60 60 ARG C C 60 179.229 179.229 177.555 1.674 25142 3397 1 9 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.149 -1.518 25142 3398 1 9 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.776 -1.389 25142 3399 1 9 . 1 1 60 60 ARG H H 60 8.113 8.113 7.674 0.439 25142 3400 1 9 . 1 1 61 61 ARG N N 61 117.860 117.860 117.866 -0.006 25142 3401 1 9 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.084 0.005 25142 3402 1 9 . 1 1 61 61 ARG C C 61 178.883 178.883 178.415 0.468 25142 3403 1 9 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.406 1.457 25142 3404 1 9 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.182 0.733 25142 3405 1 9 . 1 1 61 61 ARG H H 61 7.902 7.902 7.293 0.609 25142 3406 1 9 . 1 1 62 62 MET N N 62 117.859 117.859 117.805 0.054 25142 3407 1 9 . 1 1 62 62 MET HA H 62 4.263 4.263 4.058 0.205 25142 3408 1 9 . 1 1 62 62 MET C C 62 177.644 177.644 177.706 -0.062 25142 3409 1 9 . 1 1 62 62 MET CA C 62 57.474 57.474 58.241 -0.767 25142 3410 1 9 . 1 1 62 62 MET CB C 62 30.494 30.494 32.044 -1.550 25142 3411 1 9 . 1 1 62 62 MET H H 62 7.535 7.535 7.518 0.017 25142 3412 1 9 . 1 1 63 63 LYS N N 63 118.415 118.415 119.733 -1.318 25142 3413 1 9 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.977 0.155 25142 3414 1 9 . 1 1 63 63 LYS C C 63 177.090 177.090 178.171 -1.081 25142 3415 1 9 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.824 -1.209 25142 3416 1 9 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.822 1.202 25142 3417 1 9 . 1 1 63 63 LYS H H 63 7.426 7.426 7.548 -0.122 25142 3418 1 9 . 1 1 64 64 MET N N 64 117.987 117.987 117.031 0.956 25142 3419 1 9 . 1 1 64 64 MET HA H 64 4.271 4.271 4.424 -0.153 25142 3420 1 9 . 1 1 64 64 MET C C 64 176.223 176.223 178.486 -2.263 25142 3421 1 9 . 1 1 64 64 MET CA C 64 57.632 57.632 57.805 -0.173 25142 3422 1 9 . 1 1 64 64 MET H H 64 7.538 7.538 7.514 0.024 25142 3423 1 9 . 1 1 65 65 LYS N N 65 120.643 120.643 118.636 2.007 25142 3424 1 9 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.142 0.157 25142 3425 1 9 . 1 1 65 65 LYS C C 65 175.950 175.950 177.335 -1.385 25142 3426 1 9 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.840 -0.208 25142 3427 1 9 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.432 1.592 25142 3428 1 9 . 1 1 65 65 LYS H H 65 7.930 7.930 7.573 0.357 25142 3429 1 9 . 1 1 66 66 LYS N N 66 122.089 122.089 119.115 2.974 25142 3430 1 9 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.255 0.016 25142 3431 1 9 . 1 1 66 66 LYS C C 66 176.302 176.302 177.719 -1.417 25142 3432 1 9 . 1 1 66 66 LYS CA C 66 57.491 57.491 57.539 -0.048 25142 3433 1 9 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.660 -0.040 25142 3434 1 9 . 1 1 66 66 LYS H H 66 8.172 8.172 7.590 0.582 25142 3435 1 9 . 1 1 67 67 MET N N 67 119.918 119.918 117.656 2.262 25142 3436 1 9 . 1 1 67 67 MET HA H 67 4.765 4.765 4.147 0.618 25142 3437 1 9 . 1 1 67 67 MET C C 67 175.047 175.047 177.204 -2.157 25142 3438 1 9 . 1 1 67 67 MET H H 67 8.056 8.056 7.590 0.466 25142 3439 1 10 . 1 1 2 2 ASN N N 2 125.670 125.670 121.110 4.560 25142 3440 1 10 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.553 -0.416 25142 3441 1 10 . 1 1 2 2 ASN C C 2 170.976 170.976 174.851 -3.875 25142 3442 1 10 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.661 2.151 25142 3443 1 10 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.223 -1.335 25142 3444 1 10 . 1 1 2 2 ASN H H 2 7.926 7.926 8.548 -0.622 25142 3445 1 10 . 1 1 3 3 TRP N N 3 122.562 122.562 118.598 3.964 25142 3446 1 10 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.750 0.012 25142 3447 1 10 . 1 1 3 3 TRP C C 3 176.062 176.062 175.470 0.592 25142 3448 1 10 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.783 0.187 25142 3449 1 10 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.849 -0.220 25142 3450 1 10 . 1 1 3 3 TRP H H 3 7.920 7.920 8.696 -0.776 25142 3451 1 10 . 1 1 4 4 ILE N N 4 122.339 122.339 115.762 6.577 25142 3452 1 10 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.111 0.060 25142 3453 1 10 . 1 1 4 4 ILE C C 4 175.825 175.825 176.023 -0.198 25142 3454 1 10 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.178 -0.769 25142 3455 1 10 . 1 1 4 4 ILE CB C 4 38.645 38.645 38.835 -0.190 25142 3456 1 10 . 1 1 4 4 ILE H H 4 7.893 7.893 7.773 0.120 25142 3457 1 10 . 1 1 5 5 HIS N N 5 122.699 122.699 118.074 4.625 25142 3458 1 10 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.863 -0.335 25142 3459 1 10 . 1 1 5 5 HIS C C 5 175.039 175.039 175.671 -0.632 25142 3460 1 10 . 1 1 5 5 HIS CA C 5 56.069 56.069 54.629 1.440 25142 3461 1 10 . 1 1 5 5 HIS CB C 5 30.634 30.634 28.721 1.913 25142 3462 1 10 . 1 1 5 5 HIS H H 5 8.015 8.015 7.897 0.118 25142 3463 1 10 . 1 1 6 6 ALA N N 6 125.335 125.335 125.504 -0.169 25142 3464 1 10 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.171 0.097 25142 3465 1 10 . 1 1 6 6 ALA C C 6 177.735 177.735 177.879 -0.144 25142 3466 1 10 . 1 1 6 6 ALA CA C 6 52.697 52.697 54.570 -1.873 25142 3467 1 10 . 1 1 6 6 ALA CB C 6 19.253 19.253 19.340 -0.087 25142 3468 1 10 . 1 1 6 6 ALA H H 6 8.183 8.183 8.390 -0.207 25142 3469 1 10 . 1 1 7 7 ARG N N 7 120.137 120.137 116.932 3.205 25142 3470 1 10 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.427 -0.136 25142 3471 1 10 . 1 1 7 7 ARG C C 7 176.556 176.556 175.286 1.270 25142 3472 1 10 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.629 0.597 25142 3473 1 10 . 1 1 7 7 ARG CB C 7 30.933 30.933 31.570 -0.637 25142 3474 1 10 . 1 1 7 7 ARG H H 7 8.399 8.399 8.496 -0.097 25142 3475 1 10 . 1 1 9 9 THR N N 9 115.696 115.696 115.928 -0.232 25142 3476 1 10 . 1 1 9 9 THR HA H 9 4.311 4.311 4.530 -0.219 25142 3477 1 10 . 1 1 9 9 THR C C 9 174.493 174.493 174.497 -0.004 25142 3478 1 10 . 1 1 9 9 THR CA C 9 61.970 61.970 62.210 -0.240 25142 3479 1 10 . 1 1 9 9 THR CB C 9 69.840 69.840 69.940 -0.100 25142 3480 1 10 . 1 1 9 9 THR H H 9 8.081 8.081 8.314 -0.233 25142 3481 1 10 . 1 1 10 10 ARG N N 10 123.599 123.599 124.101 -0.502 25142 3482 1 10 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.466 -0.153 25142 3483 1 10 . 1 1 10 10 ARG C C 10 176.173 176.173 175.960 0.213 25142 3484 1 10 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.455 0.772 25142 3485 1 10 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.525 0.408 25142 3486 1 10 . 1 1 10 10 ARG H H 10 8.275 8.275 8.370 -0.095 25142 3487 1 10 . 1 1 11 11 LYS N N 11 123.132 123.132 124.470 -1.338 25142 3488 1 10 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.446 -0.148 25142 3489 1 10 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.610 0.038 25142 3490 1 10 . 1 1 11 11 LYS CB C 11 33.181 33.181 33.339 -0.158 25142 3491 1 10 . 1 1 11 11 LYS H H 11 8.334 8.334 8.391 -0.057 25142 3492 1 10 . 1 1 12 12 LYS N N 12 123.229 123.229 121.293 1.936 25142 3493 1 10 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.618 -0.364 25142 3494 1 10 . 1 1 12 12 LYS C C 12 176.124 176.124 176.458 -0.334 25142 3495 1 10 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.343 1.288 25142 3496 1 10 . 1 1 12 12 LYS CB C 12 33.164 33.164 35.260 -2.096 25142 3497 1 10 . 1 1 12 12 LYS H H 12 8.357 8.357 8.393 -0.036 25142 3498 1 10 . 1 1 13 13 ARG N N 13 123.166 123.166 120.902 2.264 25142 3499 1 10 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.648 -0.331 25142 3500 1 10 . 1 1 13 13 ARG C C 13 175.831 175.831 175.788 0.043 25142 3501 1 10 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.276 -1.066 25142 3502 1 10 . 1 1 13 13 ARG CB C 13 30.073 30.073 31.062 -0.989 25142 3503 1 10 . 1 1 13 13 ARG H H 13 8.439 8.439 8.837 -0.398 25142 3504 1 10 . 1 1 14 14 CYS N N 14 123.412 123.412 119.496 3.916 25142 3505 1 10 . 1 1 14 14 CYS HA H 14 4.614 4.614 5.071 -0.457 25142 3506 1 10 . 1 1 14 14 CYS CA C 14 56.771 56.771 57.090 -0.319 25142 3507 1 10 . 1 1 14 14 CYS H H 14 8.542 8.542 8.151 0.391 25142 3508 1 10 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.468 -0.135 25142 3509 1 10 . 1 1 15 15 PRO C C 15 175.713 175.713 175.914 -0.201 25142 3510 1 10 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.005 0.793 25142 3511 1 10 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.752 0.289 25142 3512 1 10 . 1 1 16 16 TYR N N 16 116.961 116.961 117.705 -0.744 25142 3513 1 10 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.818 0.107 25142 3514 1 10 . 1 1 16 16 TYR C C 16 176.803 176.803 175.641 1.162 25142 3515 1 10 . 1 1 16 16 TYR CA C 16 56.583 56.583 56.600 -0.017 25142 3516 1 10 . 1 1 16 16 TYR CB C 16 40.045 40.045 37.546 2.499 25142 3517 1 10 . 1 1 16 16 TYR H H 16 7.539 7.539 7.931 -0.392 25142 3518 1 10 . 1 1 17 17 THR N N 17 115.107 115.107 118.809 -3.702 25142 3519 1 10 . 1 1 17 17 THR HA H 17 4.469 4.469 4.563 -0.094 25142 3520 1 10 . 1 1 17 17 THR C C 17 175.593 175.593 175.691 -0.098 25142 3521 1 10 . 1 1 17 17 THR CA C 17 60.987 60.987 58.984 2.003 25142 3522 1 10 . 1 1 17 17 THR CB C 17 71.240 71.240 70.418 0.822 25142 3523 1 10 . 1 1 17 17 THR H H 17 9.305 9.305 8.154 1.151 25142 3524 1 10 . 1 1 18 18 LYS N N 18 123.297 123.297 120.535 2.762 25142 3525 1 10 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.091 0.000 25142 3526 1 10 . 1 1 18 18 LYS C C 18 178.363 178.363 178.602 -0.239 25142 3527 1 10 . 1 1 18 18 LYS CA C 18 60.004 60.004 58.775 1.229 25142 3528 1 10 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.071 -0.031 25142 3529 1 10 . 1 1 18 18 LYS H H 18 8.990 8.990 8.911 0.079 25142 3530 1 10 . 1 1 19 19 TYR N N 19 118.372 118.372 119.661 -1.289 25142 3531 1 10 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.106 0.065 25142 3532 1 10 . 1 1 19 19 TYR C C 19 176.959 176.959 177.144 -0.185 25142 3533 1 10 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.841 -0.432 25142 3534 1 10 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.469 0.333 25142 3535 1 10 . 1 1 19 19 TYR H H 19 8.334 8.334 7.639 0.695 25142 3536 1 10 . 1 1 20 20 GLN N N 20 116.238 116.238 117.536 -1.298 25142 3537 1 10 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.962 -0.426 25142 3538 1 10 . 1 1 20 20 GLN C C 20 177.491 177.491 177.997 -0.506 25142 3539 1 10 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.583 -0.282 25142 3540 1 10 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.173 -0.068 25142 3541 1 10 . 1 1 20 20 GLN H H 20 7.771 7.771 8.316 -0.545 25142 3542 1 10 . 1 1 21 21 THR N N 21 112.943 112.943 114.858 -1.915 25142 3543 1 10 . 1 1 21 21 THR HA H 21 3.401 3.401 4.108 -0.707 25142 3544 1 10 . 1 1 21 21 THR C C 21 175.530 175.530 176.670 -1.140 25142 3545 1 10 . 1 1 21 21 THR CA C 21 67.451 67.451 65.734 1.717 25142 3546 1 10 . 1 1 21 21 THR CB C 21 68.856 68.856 68.833 0.023 25142 3547 1 10 . 1 1 21 21 THR H H 21 8.468 8.468 7.816 0.652 25142 3548 1 10 . 1 1 22 22 LEU N N 22 121.513 121.513 121.353 0.160 25142 3549 1 10 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.637 -0.658 25142 3550 1 10 . 1 1 22 22 LEU C C 22 180.452 180.452 178.352 2.100 25142 3551 1 10 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.993 0.043 25142 3552 1 10 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.520 0.357 25142 3553 1 10 . 1 1 22 22 LEU H H 22 8.054 8.054 7.491 0.563 25142 3554 1 10 . 1 1 23 23 GLU N N 23 118.464 118.464 118.596 -0.132 25142 3555 1 10 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.207 -0.371 25142 3556 1 10 . 1 1 23 23 GLU C C 23 179.824 179.824 179.249 0.575 25142 3557 1 10 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.877 -0.279 25142 3558 1 10 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.447 1.486 25142 3559 1 10 . 1 1 23 23 GLU H H 23 7.732 7.732 7.779 -0.047 25142 3560 1 10 . 1 1 24 24 LEU N N 24 124.210 124.210 119.689 4.521 25142 3561 1 10 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.156 -0.644 25142 3562 1 10 . 1 1 24 24 LEU C C 24 177.592 177.592 178.833 -1.241 25142 3563 1 10 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.843 0.615 25142 3564 1 10 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.904 -4.384 25142 3565 1 10 . 1 1 24 24 LEU H H 24 8.335 8.335 8.174 0.161 25142 3566 1 10 . 1 1 25 25 GLU N N 25 119.137 119.137 119.059 0.078 25142 3567 1 10 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.012 0.235 25142 3568 1 10 . 1 1 25 25 GLU C C 25 179.021 179.021 178.986 0.035 25142 3569 1 10 . 1 1 25 25 GLU CA C 25 60.003 60.003 59.174 0.829 25142 3570 1 10 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.014 -0.346 25142 3571 1 10 . 1 1 25 25 GLU H H 25 7.912 7.912 8.297 -0.385 25142 3572 1 10 . 1 1 26 26 LYS N N 26 118.579 118.579 118.846 -0.267 25142 3573 1 10 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.181 -0.264 25142 3574 1 10 . 1 1 26 26 LYS C C 26 179.351 179.351 179.056 0.295 25142 3575 1 10 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.603 1.400 25142 3576 1 10 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.268 0.334 25142 3577 1 10 . 1 1 26 26 LYS H H 26 7.537 7.537 7.567 -0.030 25142 3578 1 10 . 1 1 27 27 GLU N N 27 120.048 120.048 119.231 0.817 25142 3579 1 10 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.372 -0.227 25142 3580 1 10 . 1 1 27 27 GLU C C 27 178.189 178.189 178.312 -0.123 25142 3581 1 10 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.165 0.855 25142 3582 1 10 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.588 -1.061 25142 3583 1 10 . 1 1 27 27 GLU H H 27 7.849 7.849 7.676 0.173 25142 3584 1 10 . 1 1 28 28 PHE N N 28 122.074 122.074 119.611 2.463 25142 3585 1 10 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.024 0.334 25142 3586 1 10 . 1 1 28 28 PHE C C 28 176.148 176.148 176.227 -0.079 25142 3587 1 10 . 1 1 28 28 PHE CA C 28 61.830 61.830 61.015 0.815 25142 3588 1 10 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.255 0.092 25142 3589 1 10 . 1 1 28 28 PHE H H 28 8.893 8.893 7.774 1.119 25142 3590 1 10 . 1 1 29 29 LEU N N 29 115.649 115.649 116.313 -0.664 25142 3591 1 10 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.172 -0.209 25142 3592 1 10 . 1 1 29 29 LEU C C 29 179.362 179.362 177.775 1.587 25142 3593 1 10 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.259 -0.909 25142 3594 1 10 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.817 -0.061 25142 3595 1 10 . 1 1 29 29 LEU H H 29 7.919 7.919 7.364 0.555 25142 3596 1 10 . 1 1 30 30 PHE N N 30 119.314 119.314 117.940 1.374 25142 3597 1 10 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.607 -0.162 25142 3598 1 10 . 1 1 30 30 PHE C C 30 176.451 176.451 176.865 -0.414 25142 3599 1 10 . 1 1 30 30 PHE CA C 30 59.582 59.582 58.479 1.103 25142 3600 1 10 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.478 1.150 25142 3601 1 10 . 1 1 30 30 PHE H H 30 7.584 7.584 7.410 0.174 25142 3602 1 10 . 1 1 31 31 ASN N N 31 116.457 116.457 119.204 -2.747 25142 3603 1 10 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.299 0.293 25142 3604 1 10 . 1 1 31 31 ASN C C 31 173.302 173.302 175.979 -2.677 25142 3605 1 10 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.778 -1.817 25142 3606 1 10 . 1 1 31 31 ASN CB C 31 39.347 39.347 37.086 2.261 25142 3607 1 10 . 1 1 31 31 ASN H H 31 8.375 8.375 7.987 0.388 25142 3608 1 10 . 1 1 32 32 MET N N 32 121.247 121.247 118.892 2.355 25142 3609 1 10 . 1 1 32 32 MET HA H 32 3.761 3.761 4.123 -0.362 25142 3610 1 10 . 1 1 32 32 MET C C 32 174.112 174.112 176.190 -2.078 25142 3611 1 10 . 1 1 32 32 MET CA C 32 57.474 57.474 58.234 -0.760 25142 3612 1 10 . 1 1 32 32 MET CB C 32 33.586 33.586 33.295 0.291 25142 3613 1 10 . 1 1 32 32 MET H H 32 8.185 8.185 7.464 0.721 25142 3614 1 10 . 1 1 33 33 TYR N N 33 115.333 115.333 116.536 -1.203 25142 3615 1 10 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.638 0.039 25142 3616 1 10 . 1 1 33 33 TYR C C 33 175.017 175.017 173.982 1.035 25142 3617 1 10 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.801 -0.608 25142 3618 1 10 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.453 -0.263 25142 3619 1 10 . 1 1 33 33 TYR H H 33 7.758 7.758 8.059 -0.301 25142 3620 1 10 . 1 1 34 34 LEU N N 34 122.393 122.393 123.598 -1.205 25142 3621 1 10 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.654 -0.062 25142 3622 1 10 . 1 1 34 34 LEU C C 34 178.373 178.373 176.243 2.130 25142 3623 1 10 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.243 -0.282 25142 3624 1 10 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.376 -1.532 25142 3625 1 10 . 1 1 34 34 LEU H H 34 8.293 8.293 8.258 0.035 25142 3626 1 10 . 1 1 35 35 THR N N 35 113.078 113.078 116.706 -3.628 25142 3627 1 10 . 1 1 35 35 THR HA H 35 4.445 4.445 4.715 -0.270 25142 3628 1 10 . 1 1 35 35 THR C C 35 175.115 175.115 175.640 -0.525 25142 3629 1 10 . 1 1 35 35 THR CA C 35 59.582 59.582 60.445 -0.863 25142 3630 1 10 . 1 1 35 35 THR CB C 35 70.823 70.823 70.230 0.593 25142 3631 1 10 . 1 1 35 35 THR H H 35 7.729 7.729 8.052 -0.323 25142 3632 1 10 . 1 1 36 36 ARG N N 36 122.118 122.118 122.294 -0.176 25142 3633 1 10 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.076 -0.247 25142 3634 1 10 . 1 1 36 36 ARG C C 36 178.596 178.596 178.104 0.492 25142 3635 1 10 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.219 0.925 25142 3636 1 10 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.420 -1.331 25142 3637 1 10 . 1 1 36 36 ARG H H 36 8.951 8.951 8.780 0.171 25142 3638 1 10 . 1 1 37 37 ASP N N 37 116.410 116.410 120.396 -3.986 25142 3639 1 10 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.364 0.062 25142 3640 1 10 . 1 1 37 37 ASP C C 37 178.603 178.603 178.579 0.024 25142 3641 1 10 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.336 -0.581 25142 3642 1 10 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.160 0.029 25142 3643 1 10 . 1 1 37 37 ASP H H 37 8.454 8.454 7.726 0.728 25142 3644 1 10 . 1 1 38 38 ARG N N 38 121.073 121.073 119.082 1.991 25142 3645 1 10 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.282 -0.065 25142 3646 1 10 . 1 1 38 38 ARG C C 38 177.751 177.751 178.902 -1.151 25142 3647 1 10 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.673 -1.060 25142 3648 1 10 . 1 1 38 38 ARG CB C 38 29.932 29.932 29.783 0.149 25142 3649 1 10 . 1 1 38 38 ARG H H 38 7.795 7.795 7.915 -0.120 25142 3650 1 10 . 1 1 39 39 ARG N N 39 119.603 119.603 118.324 1.279 25142 3651 1 10 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.052 -0.378 25142 3652 1 10 . 1 1 39 39 ARG C C 39 177.405 177.405 179.243 -1.838 25142 3653 1 10 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.425 0.860 25142 3654 1 10 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.011 0.062 25142 3655 1 10 . 1 1 39 39 ARG H H 39 8.650 8.650 7.581 1.069 25142 3656 1 10 . 1 1 40 40 TYR N N 40 116.995 116.995 121.309 -4.314 25142 3657 1 10 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.186 -0.115 25142 3658 1 10 . 1 1 40 40 TYR C C 40 177.632 177.632 176.801 0.831 25142 3659 1 10 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.884 1.508 25142 3660 1 10 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.622 -0.821 25142 3661 1 10 . 1 1 40 40 TYR H H 40 7.893 7.893 8.149 -0.256 25142 3662 1 10 . 1 1 41 41 GLU N N 41 120.324 120.324 118.494 1.830 25142 3663 1 10 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.703 0.436 25142 3664 1 10 . 1 1 41 41 GLU C C 41 178.263 178.263 179.102 -0.839 25142 3665 1 10 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.258 -1.222 25142 3666 1 10 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.389 0.684 25142 3667 1 10 . 1 1 41 41 GLU H H 41 7.687 7.687 7.936 -0.249 25142 3668 1 10 . 1 1 42 42 VAL N N 42 120.030 120.030 114.094 5.936 25142 3669 1 10 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.279 -0.758 25142 3670 1 10 . 1 1 42 42 VAL C C 42 177.248 177.248 177.251 -0.003 25142 3671 1 10 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.485 1.701 25142 3672 1 10 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.773 0.829 25142 3673 1 10 . 1 1 42 42 VAL H H 42 8.675 8.675 8.206 0.469 25142 3674 1 10 . 1 1 43 43 ALA N N 43 119.887 119.887 121.898 -2.011 25142 3675 1 10 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.151 -0.583 25142 3676 1 10 . 1 1 43 43 ALA C C 43 179.037 179.037 179.169 -0.132 25142 3677 1 10 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.317 1.752 25142 3678 1 10 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.731 -1.305 25142 3679 1 10 . 1 1 43 43 ALA H H 43 8.026 8.026 7.512 0.514 25142 3680 1 10 . 1 1 44 44 ARG N N 44 116.238 116.238 116.841 -0.603 25142 3681 1 10 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.124 -0.123 25142 3682 1 10 . 1 1 44 44 ARG C C 44 180.290 180.290 178.222 2.068 25142 3683 1 10 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.634 1.667 25142 3684 1 10 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.083 -0.010 25142 3685 1 10 . 1 1 44 44 ARG H H 44 7.771 7.771 7.505 0.266 25142 3686 1 10 . 1 1 45 45 VAL N N 45 118.391 118.391 115.050 3.341 25142 3687 1 10 . 1 1 45 45 VAL HA H 45 3.810 3.810 3.947 -0.138 25142 3688 1 10 . 1 1 45 45 VAL C C 45 177.986 177.986 176.288 1.698 25142 3689 1 10 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.581 0.622 25142 3690 1 10 . 1 1 45 45 VAL CB C 45 32.602 32.602 31.626 0.976 25142 3691 1 10 . 1 1 45 45 VAL H H 45 8.250 8.250 7.508 0.742 25142 3692 1 10 . 1 1 46 46 LEU N N 46 116.008 116.008 120.360 -4.352 25142 3693 1 10 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.277 0.230 25142 3694 1 10 . 1 1 46 46 LEU C C 46 176.657 176.657 176.917 -0.260 25142 3695 1 10 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.604 0.060 25142 3696 1 10 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.133 0.042 25142 3697 1 10 . 1 1 46 46 LEU H H 46 7.896 7.896 7.534 0.362 25142 3698 1 10 . 1 1 47 47 ASN N N 47 117.881 117.881 113.437 4.444 25142 3699 1 10 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.280 0.161 25142 3700 1 10 . 1 1 47 47 ASN C C 47 173.788 173.788 174.166 -0.378 25142 3701 1 10 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.224 0.580 25142 3702 1 10 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.969 -0.151 25142 3703 1 10 . 1 1 47 47 ASN H H 47 7.992 7.992 8.046 -0.054 25142 3704 1 10 . 1 1 48 48 LEU N N 48 119.211 119.211 116.878 2.333 25142 3705 1 10 . 1 1 48 48 LEU HA H 48 4.877 4.877 5.093 -0.216 25142 3706 1 10 . 1 1 48 48 LEU C C 48 176.505 176.505 176.259 0.246 25142 3707 1 10 . 1 1 48 48 LEU CA C 48 52.832 52.832 53.054 -0.222 25142 3708 1 10 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.941 2.978 25142 3709 1 10 . 1 1 48 48 LEU H H 48 8.517 8.517 7.911 0.606 25142 3710 1 10 . 1 1 49 49 THR N N 49 109.223 109.223 114.404 -5.181 25142 3711 1 10 . 1 1 49 49 THR HA H 49 4.648 4.648 4.534 0.114 25142 3712 1 10 . 1 1 49 49 THR C C 49 176.663 176.663 175.169 1.494 25142 3713 1 10 . 1 1 49 49 THR CA C 49 60.566 60.566 60.633 -0.067 25142 3714 1 10 . 1 1 49 49 THR CB C 49 70.824 70.824 70.415 0.409 25142 3715 1 10 . 1 1 49 49 THR H H 49 8.694 8.694 8.388 0.306 25142 3716 1 10 . 1 1 50 50 GLU N N 50 121.200 121.200 123.257 -2.057 25142 3717 1 10 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.052 -0.399 25142 3718 1 10 . 1 1 50 50 GLU C C 50 178.500 178.500 179.286 -0.786 25142 3719 1 10 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.210 0.777 25142 3720 1 10 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.723 0.209 25142 3721 1 10 . 1 1 50 50 GLU H H 50 9.184 9.184 8.876 0.308 25142 3722 1 10 . 1 1 51 51 ARG N N 51 119.168 119.168 119.022 0.146 25142 3723 1 10 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.305 -0.302 25142 3724 1 10 . 1 1 51 51 ARG C C 51 177.979 177.979 178.396 -0.417 25142 3725 1 10 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.411 0.890 25142 3726 1 10 . 1 1 51 51 ARG CB C 51 30.073 30.073 30.050 0.023 25142 3727 1 10 . 1 1 51 51 ARG H H 51 8.220 8.220 8.547 -0.327 25142 3728 1 10 . 1 1 52 52 GLN N N 52 117.548 117.548 121.070 -3.522 25142 3729 1 10 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.205 -0.116 25142 3730 1 10 . 1 1 52 52 GLN C C 52 180.689 180.689 178.356 2.333 25142 3731 1 10 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.610 0.253 25142 3732 1 10 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.337 1.876 25142 3733 1 10 . 1 1 52 52 GLN H H 52 8.029 8.029 8.433 -0.404 25142 3734 1 10 . 1 1 53 53 VAL N N 53 121.408 121.408 118.990 2.418 25142 3735 1 10 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.864 -0.051 25142 3736 1 10 . 1 1 53 53 VAL C C 53 176.662 176.662 177.382 -0.720 25142 3737 1 10 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.697 2.457 25142 3738 1 10 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.567 1.035 25142 3739 1 10 . 1 1 53 53 VAL H H 53 8.004 8.004 7.786 0.218 25142 3740 1 10 . 1 1 54 54 LYS N N 54 121.266 121.266 120.022 1.244 25142 3741 1 10 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.211 0.036 25142 3742 1 10 . 1 1 54 54 LYS C C 54 179.996 179.996 179.419 0.577 25142 3743 1 10 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.736 0.268 25142 3744 1 10 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.519 0.083 25142 3745 1 10 . 1 1 54 54 LYS H H 54 8.527 8.527 7.645 0.882 25142 3746 1 10 . 1 1 55 55 ILE N N 55 119.453 119.453 119.863 -0.410 25142 3747 1 10 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.784 0.076 25142 3748 1 10 . 1 1 55 55 ILE C C 55 177.548 177.548 177.611 -0.063 25142 3749 1 10 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.525 -1.587 25142 3750 1 10 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.756 0.467 25142 3751 1 10 . 1 1 55 55 ILE H H 55 8.748 8.748 8.429 0.319 25142 3752 1 10 . 1 1 56 56 TRP N N 56 122.220 122.220 121.268 0.952 25142 3753 1 10 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.264 -0.357 25142 3754 1 10 . 1 1 56 56 TRP C C 56 180.094 180.094 178.010 2.084 25142 3755 1 10 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.541 2.397 25142 3756 1 10 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.567 -0.197 25142 3757 1 10 . 1 1 56 56 TRP H H 56 8.076 8.076 8.032 0.044 25142 3758 1 10 . 1 1 57 57 PHE N N 57 119.464 119.464 119.952 -0.488 25142 3759 1 10 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.131 -0.271 25142 3760 1 10 . 1 1 57 57 PHE C C 57 177.749 177.749 177.318 0.431 25142 3761 1 10 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.858 2.080 25142 3762 1 10 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.163 0.465 25142 3763 1 10 . 1 1 57 57 PHE H H 57 8.859 8.859 7.545 1.314 25142 3764 1 10 . 1 1 58 58 GLN N N 58 118.649 118.649 118.906 -0.257 25142 3765 1 10 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.741 0.262 25142 3766 1 10 . 1 1 58 58 GLN C C 58 178.888 178.888 178.245 0.643 25142 3767 1 10 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.328 -0.027 25142 3768 1 10 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.721 -0.054 25142 3769 1 10 . 1 1 58 58 GLN H H 58 8.240 8.240 8.247 -0.007 25142 3770 1 10 . 1 1 59 59 ASN N N 59 118.104 118.104 117.935 0.169 25142 3771 1 10 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.267 0.050 25142 3772 1 10 . 1 1 59 59 ASN C C 59 177.504 177.504 177.433 0.071 25142 3773 1 10 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.039 0.171 25142 3774 1 10 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.830 -0.029 25142 3775 1 10 . 1 1 59 59 ASN H H 59 8.320 8.320 8.030 0.290 25142 3776 1 10 . 1 1 60 60 ARG N N 60 122.957 122.957 119.218 3.739 25142 3777 1 10 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.783 -0.387 25142 3778 1 10 . 1 1 60 60 ARG C C 60 179.229 179.229 178.401 0.828 25142 3779 1 10 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.754 -2.123 25142 3780 1 10 . 1 1 60 60 ARG CB C 60 28.387 28.387 30.213 -1.826 25142 3781 1 10 . 1 1 60 60 ARG H H 60 8.113 8.113 7.759 0.354 25142 3782 1 10 . 1 1 61 61 ARG N N 61 117.860 117.860 119.538 -1.678 25142 3783 1 10 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.039 0.050 25142 3784 1 10 . 1 1 61 61 ARG C C 61 178.883 178.883 178.310 0.573 25142 3785 1 10 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.031 1.832 25142 3786 1 10 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.670 1.245 25142 3787 1 10 . 1 1 61 61 ARG H H 61 7.902 7.902 7.397 0.505 25142 3788 1 10 . 1 1 62 62 MET N N 62 117.859 117.859 118.783 -0.924 25142 3789 1 10 . 1 1 62 62 MET HA H 62 4.263 4.263 3.845 0.418 25142 3790 1 10 . 1 1 62 62 MET C C 62 177.644 177.644 178.229 -0.585 25142 3791 1 10 . 1 1 62 62 MET CA C 62 57.474 57.474 59.477 -2.003 25142 3792 1 10 . 1 1 62 62 MET CB C 62 30.494 30.494 32.161 -1.667 25142 3793 1 10 . 1 1 62 62 MET H H 62 7.535 7.535 7.875 -0.340 25142 3794 1 10 . 1 1 63 63 LYS N N 63 118.415 118.415 118.058 0.357 25142 3795 1 10 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.929 0.203 25142 3796 1 10 . 1 1 63 63 LYS C C 63 177.090 177.090 178.533 -1.443 25142 3797 1 10 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.861 -1.246 25142 3798 1 10 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.906 1.118 25142 3799 1 10 . 1 1 63 63 LYS H H 63 7.426 7.426 7.488 -0.062 25142 3800 1 10 . 1 1 64 64 MET N N 64 117.987 117.987 115.547 2.440 25142 3801 1 10 . 1 1 64 64 MET HA H 64 4.271 4.271 4.331 -0.060 25142 3802 1 10 . 1 1 64 64 MET C C 64 176.223 176.223 177.296 -1.073 25142 3803 1 10 . 1 1 64 64 MET CA C 64 57.632 57.632 56.524 1.108 25142 3804 1 10 . 1 1 64 64 MET H H 64 7.538 7.538 7.418 0.120 25142 3805 1 10 . 1 1 65 65 LYS N N 65 120.643 120.643 116.584 4.059 25142 3806 1 10 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.216 0.083 25142 3807 1 10 . 1 1 65 65 LYS C C 65 175.950 175.950 178.329 -2.379 25142 3808 1 10 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.852 0.780 25142 3809 1 10 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.331 0.693 25142 3810 1 10 . 1 1 65 65 LYS H H 65 7.930 7.930 7.839 0.091 25142 3811 1 10 . 1 1 66 66 LYS N N 66 122.089 122.089 117.128 4.961 25142 3812 1 10 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.295 -0.024 25142 3813 1 10 . 1 1 66 66 LYS C C 66 176.302 176.302 175.353 0.949 25142 3814 1 10 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.167 1.324 25142 3815 1 10 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.269 -0.649 25142 3816 1 10 . 1 1 66 66 LYS H H 66 8.172 8.172 7.627 0.545 25142 3817 1 10 . 1 1 67 67 MET N N 67 119.918 119.918 119.961 -0.043 25142 3818 1 10 . 1 1 67 67 MET HA H 67 4.765 4.765 4.564 0.201 25142 3819 1 10 . 1 1 67 67 MET C C 67 175.047 175.047 173.829 1.218 25142 3820 1 10 . 1 1 67 67 MET H H 67 8.056 8.056 7.133 0.923 25142 3821 1 11 . 1 1 2 2 ASN N N 2 125.670 125.670 115.796 9.874 25142 3822 1 11 . 1 1 2 2 ASN HA H 2 4.137 4.137 5.076 -0.939 25142 3823 1 11 . 1 1 2 2 ASN C C 2 170.976 170.976 173.479 -2.503 25142 3824 1 11 . 1 1 2 2 ASN CA C 2 53.812 53.812 52.090 1.722 25142 3825 1 11 . 1 1 2 2 ASN CB C 2 38.888 38.888 41.517 -2.629 25142 3826 1 11 . 1 1 2 2 ASN H H 2 7.926 7.926 8.046 -0.120 25142 3827 1 11 . 1 1 3 3 TRP N N 3 122.562 122.562 120.125 2.437 25142 3828 1 11 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.614 0.148 25142 3829 1 11 . 1 1 3 3 TRP C C 3 176.062 176.062 175.784 0.278 25142 3830 1 11 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.933 0.037 25142 3831 1 11 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.495 0.134 25142 3832 1 11 . 1 1 3 3 TRP H H 3 7.920 7.920 8.089 -0.169 25142 3833 1 11 . 1 1 4 4 ILE N N 4 122.339 122.339 119.981 2.358 25142 3834 1 11 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.779 0.392 25142 3835 1 11 . 1 1 4 4 ILE C C 4 175.825 175.825 175.064 0.761 25142 3836 1 11 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.632 -1.222 25142 3837 1 11 . 1 1 4 4 ILE CB C 4 38.645 38.645 35.282 3.363 25142 3838 1 11 . 1 1 4 4 ILE H H 4 7.893 7.893 8.545 -0.652 25142 3839 1 11 . 1 1 5 5 HIS N N 5 122.699 122.699 119.160 3.539 25142 3840 1 11 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.433 0.095 25142 3841 1 11 . 1 1 5 5 HIS C C 5 175.039 175.039 175.319 -0.280 25142 3842 1 11 . 1 1 5 5 HIS CA C 5 56.069 56.069 56.466 -0.397 25142 3843 1 11 . 1 1 5 5 HIS CB C 5 30.634 30.634 32.531 -1.897 25142 3844 1 11 . 1 1 5 5 HIS H H 5 8.015 8.015 7.831 0.184 25142 3845 1 11 . 1 1 6 6 ALA N N 6 125.335 125.335 122.685 2.650 25142 3846 1 11 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.004 0.264 25142 3847 1 11 . 1 1 6 6 ALA C C 6 177.735 177.735 175.426 2.309 25142 3848 1 11 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.985 -0.288 25142 3849 1 11 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.549 0.704 25142 3850 1 11 . 1 1 6 6 ALA H H 6 8.183 8.183 7.771 0.411 25142 3851 1 11 . 1 1 7 7 ARG N N 7 120.137 120.137 121.137 -1.000 25142 3852 1 11 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.381 -0.090 25142 3853 1 11 . 1 1 7 7 ARG C C 7 176.556 176.556 174.811 1.745 25142 3854 1 11 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.472 0.754 25142 3855 1 11 . 1 1 7 7 ARG CB C 7 30.933 30.933 32.103 -1.170 25142 3856 1 11 . 1 1 7 7 ARG H H 7 8.399 8.399 8.355 0.044 25142 3857 1 11 . 1 1 9 9 THR N N 9 115.696 115.696 116.966 -1.270 25142 3858 1 11 . 1 1 9 9 THR HA H 9 4.311 4.311 4.514 -0.203 25142 3859 1 11 . 1 1 9 9 THR C C 9 174.493 174.493 173.810 0.683 25142 3860 1 11 . 1 1 9 9 THR CA C 9 61.970 61.970 61.458 0.512 25142 3861 1 11 . 1 1 9 9 THR CB C 9 69.840 69.840 69.536 0.304 25142 3862 1 11 . 1 1 9 9 THR H H 9 8.081 8.081 8.112 -0.031 25142 3863 1 11 . 1 1 10 10 ARG N N 10 123.599 123.599 121.235 2.364 25142 3864 1 11 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.452 -0.139 25142 3865 1 11 . 1 1 10 10 ARG C C 10 176.173 176.173 175.520 0.653 25142 3866 1 11 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.834 0.393 25142 3867 1 11 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.629 0.304 25142 3868 1 11 . 1 1 10 10 ARG H H 10 8.275 8.275 8.312 -0.037 25142 3869 1 11 . 1 1 11 11 LYS N N 11 123.132 123.132 121.252 1.880 25142 3870 1 11 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.139 0.159 25142 3871 1 11 . 1 1 11 11 LYS CA C 11 56.648 56.648 57.094 -0.446 25142 3872 1 11 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.667 0.514 25142 3873 1 11 . 1 1 11 11 LYS H H 11 8.334 8.334 8.329 0.005 25142 3874 1 11 . 1 1 12 12 LYS N N 12 123.229 123.229 123.342 -0.113 25142 3875 1 11 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.376 -0.122 25142 3876 1 11 . 1 1 12 12 LYS C C 12 176.124 176.124 177.191 -1.067 25142 3877 1 11 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.450 0.181 25142 3878 1 11 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.041 0.123 25142 3879 1 11 . 1 1 12 12 LYS H H 12 8.357 8.357 8.347 0.010 25142 3880 1 11 . 1 1 13 13 ARG N N 13 123.166 123.166 122.828 0.338 25142 3881 1 11 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.400 -0.083 25142 3882 1 11 . 1 1 13 13 ARG C C 13 175.831 175.831 176.047 -0.216 25142 3883 1 11 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.438 -1.228 25142 3884 1 11 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.328 -0.255 25142 3885 1 11 . 1 1 13 13 ARG H H 13 8.439 8.439 8.950 -0.511 25142 3886 1 11 . 1 1 14 14 CYS N N 14 123.412 123.412 116.473 6.939 25142 3887 1 11 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.983 -0.369 25142 3888 1 11 . 1 1 14 14 CYS CA C 14 56.771 56.771 54.911 1.859 25142 3889 1 11 . 1 1 14 14 CYS H H 14 8.542 8.542 7.714 0.828 25142 3890 1 11 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.205 0.128 25142 3891 1 11 . 1 1 15 15 PRO C C 15 175.713 175.713 175.752 -0.039 25142 3892 1 11 . 1 1 15 15 PRO CA C 15 63.798 63.798 64.271 -0.473 25142 3893 1 11 . 1 1 15 15 PRO CB C 15 32.040 32.040 32.013 0.027 25142 3894 1 11 . 1 1 16 16 TYR N N 16 116.961 116.961 116.498 0.463 25142 3895 1 11 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.648 0.277 25142 3896 1 11 . 1 1 16 16 TYR C C 16 176.803 176.803 175.021 1.782 25142 3897 1 11 . 1 1 16 16 TYR CA C 16 56.583 56.583 57.610 -1.027 25142 3898 1 11 . 1 1 16 16 TYR CB C 16 40.045 40.045 40.232 -0.187 25142 3899 1 11 . 1 1 16 16 TYR H H 16 7.539 7.539 7.763 -0.224 25142 3900 1 11 . 1 1 17 17 THR N N 17 115.107 115.107 117.383 -2.276 25142 3901 1 11 . 1 1 17 17 THR HA H 17 4.469 4.469 4.678 -0.209 25142 3902 1 11 . 1 1 17 17 THR C C 17 175.593 175.593 175.756 -0.163 25142 3903 1 11 . 1 1 17 17 THR CA C 17 60.987 60.987 59.298 1.689 25142 3904 1 11 . 1 1 17 17 THR CB C 17 71.240 71.240 71.157 0.083 25142 3905 1 11 . 1 1 17 17 THR H H 17 9.305 9.305 8.234 1.071 25142 3906 1 11 . 1 1 18 18 LYS N N 18 123.297 123.297 124.545 -1.248 25142 3907 1 11 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.084 0.007 25142 3908 1 11 . 1 1 18 18 LYS C C 18 178.363 178.363 178.216 0.147 25142 3909 1 11 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.197 0.807 25142 3910 1 11 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.941 0.099 25142 3911 1 11 . 1 1 18 18 LYS H H 18 8.990 8.990 9.025 -0.035 25142 3912 1 11 . 1 1 19 19 TYR N N 19 118.372 118.372 121.696 -3.324 25142 3913 1 11 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.160 0.011 25142 3914 1 11 . 1 1 19 19 TYR C C 19 176.959 176.959 177.372 -0.413 25142 3915 1 11 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.285 -0.876 25142 3916 1 11 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.427 0.375 25142 3917 1 11 . 1 1 19 19 TYR H H 19 8.334 8.334 7.681 0.653 25142 3918 1 11 . 1 1 20 20 GLN N N 20 116.238 116.238 117.995 -1.757 25142 3919 1 11 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.877 -0.341 25142 3920 1 11 . 1 1 20 20 GLN C C 20 177.491 177.491 178.362 -0.871 25142 3921 1 11 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.710 -0.409 25142 3922 1 11 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.071 0.034 25142 3923 1 11 . 1 1 20 20 GLN H H 20 7.771 7.771 8.560 -0.789 25142 3924 1 11 . 1 1 21 21 THR N N 21 112.943 112.943 115.011 -2.068 25142 3925 1 11 . 1 1 21 21 THR HA H 21 3.401 3.401 4.119 -0.718 25142 3926 1 11 . 1 1 21 21 THR C C 21 175.530 175.530 176.767 -1.237 25142 3927 1 11 . 1 1 21 21 THR CA C 21 67.451 67.451 65.863 1.588 25142 3928 1 11 . 1 1 21 21 THR CB C 21 68.856 68.856 68.869 -0.013 25142 3929 1 11 . 1 1 21 21 THR H H 21 8.468 8.468 7.913 0.555 25142 3930 1 11 . 1 1 22 22 LEU N N 22 121.513 121.513 122.154 -0.641 25142 3931 1 11 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.568 -0.589 25142 3932 1 11 . 1 1 22 22 LEU C C 22 180.452 180.452 178.173 2.279 25142 3933 1 11 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.555 0.481 25142 3934 1 11 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.609 0.268 25142 3935 1 11 . 1 1 22 22 LEU H H 22 8.054 8.054 7.385 0.669 25142 3936 1 11 . 1 1 23 23 GLU N N 23 118.464 118.464 117.705 0.759 25142 3937 1 11 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.128 -0.292 25142 3938 1 11 . 1 1 23 23 GLU C C 23 179.824 179.824 179.321 0.503 25142 3939 1 11 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.413 0.185 25142 3940 1 11 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.596 1.336 25142 3941 1 11 . 1 1 23 23 GLU H H 23 7.732 7.732 7.649 0.083 25142 3942 1 11 . 1 1 24 24 LEU N N 24 124.210 124.210 119.814 4.396 25142 3943 1 11 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.128 -0.616 25142 3944 1 11 . 1 1 24 24 LEU C C 24 177.592 177.592 178.488 -0.896 25142 3945 1 11 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.549 0.909 25142 3946 1 11 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.966 -4.446 25142 3947 1 11 . 1 1 24 24 LEU H H 24 8.335 8.335 8.456 -0.121 25142 3948 1 11 . 1 1 25 25 GLU N N 25 119.137 119.137 118.763 0.374 25142 3949 1 11 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.088 0.159 25142 3950 1 11 . 1 1 25 25 GLU C C 25 179.021 179.021 178.431 0.590 25142 3951 1 11 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.941 1.062 25142 3952 1 11 . 1 1 25 25 GLU CB C 25 28.668 28.668 28.930 -0.263 25142 3953 1 11 . 1 1 25 25 GLU H H 25 7.912 7.912 8.217 -0.305 25142 3954 1 11 . 1 1 26 26 LYS N N 26 118.579 118.579 118.406 0.173 25142 3955 1 11 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.381 -0.464 25142 3956 1 11 . 1 1 26 26 LYS C C 26 179.351 179.351 178.514 0.837 25142 3957 1 11 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.145 1.858 25142 3958 1 11 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.755 -0.153 25142 3959 1 11 . 1 1 26 26 LYS H H 26 7.537 7.537 7.836 -0.299 25142 3960 1 11 . 1 1 27 27 GLU N N 27 120.048 120.048 121.250 -1.202 25142 3961 1 11 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.081 0.064 25142 3962 1 11 . 1 1 27 27 GLU C C 27 178.189 178.189 177.964 0.225 25142 3963 1 11 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.102 0.918 25142 3964 1 11 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.818 -0.291 25142 3965 1 11 . 1 1 27 27 GLU H H 27 7.849 7.849 7.679 0.170 25142 3966 1 11 . 1 1 28 28 PHE N N 28 122.074 122.074 120.619 1.455 25142 3967 1 11 . 1 1 28 28 PHE HA H 28 4.358 4.358 3.929 0.429 25142 3968 1 11 . 1 1 28 28 PHE C C 28 176.148 176.148 176.794 -0.646 25142 3969 1 11 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.575 1.254 25142 3970 1 11 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.912 0.435 25142 3971 1 11 . 1 1 28 28 PHE H H 28 8.893 8.893 7.645 1.248 25142 3972 1 11 . 1 1 29 29 LEU N N 29 115.649 115.649 119.344 -3.695 25142 3973 1 11 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.887 0.076 25142 3974 1 11 . 1 1 29 29 LEU C C 29 179.362 179.362 177.884 1.478 25142 3975 1 11 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.707 -0.357 25142 3976 1 11 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.883 0.873 25142 3977 1 11 . 1 1 29 29 LEU H H 29 7.919 7.919 7.644 0.275 25142 3978 1 11 . 1 1 30 30 PHE N N 30 119.314 119.314 119.443 -0.129 25142 3979 1 11 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.130 0.315 25142 3980 1 11 . 1 1 30 30 PHE C C 30 176.451 176.451 176.339 0.112 25142 3981 1 11 . 1 1 30 30 PHE CA C 30 59.582 59.582 59.923 -0.341 25142 3982 1 11 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.874 0.754 25142 3983 1 11 . 1 1 30 30 PHE H H 30 7.584 7.584 8.203 -0.619 25142 3984 1 11 . 1 1 31 31 ASN N N 31 116.457 116.457 117.752 -1.295 25142 3985 1 11 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.270 0.322 25142 3986 1 11 . 1 1 31 31 ASN C C 31 173.302 173.302 176.150 -2.848 25142 3987 1 11 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.182 -1.221 25142 3988 1 11 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.605 0.742 25142 3989 1 11 . 1 1 31 31 ASN H H 31 8.375 8.375 7.834 0.541 25142 3990 1 11 . 1 1 32 32 MET N N 32 121.247 121.247 116.243 5.004 25142 3991 1 11 . 1 1 32 32 MET HA H 32 3.761 3.761 4.340 -0.579 25142 3992 1 11 . 1 1 32 32 MET C C 32 174.112 174.112 176.024 -1.912 25142 3993 1 11 . 1 1 32 32 MET CA C 32 57.474 57.474 57.606 -0.132 25142 3994 1 11 . 1 1 32 32 MET CB C 32 33.586 33.586 34.778 -1.192 25142 3995 1 11 . 1 1 32 32 MET H H 32 8.185 8.185 7.347 0.838 25142 3996 1 11 . 1 1 33 33 TYR N N 33 115.333 115.333 116.395 -1.062 25142 3997 1 11 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.474 0.203 25142 3998 1 11 . 1 1 33 33 TYR C C 33 175.017 175.017 173.880 1.137 25142 3999 1 11 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.449 -1.256 25142 4000 1 11 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.787 -0.597 25142 4001 1 11 . 1 1 33 33 TYR H H 33 7.758 7.758 7.600 0.158 25142 4002 1 11 . 1 1 34 34 LEU N N 34 122.393 122.393 122.864 -0.471 25142 4003 1 11 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.841 -0.249 25142 4004 1 11 . 1 1 34 34 LEU C C 34 178.373 178.373 175.690 2.683 25142 4005 1 11 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.005 -0.044 25142 4006 1 11 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.999 -2.155 25142 4007 1 11 . 1 1 34 34 LEU H H 34 8.293 8.293 8.313 -0.020 25142 4008 1 11 . 1 1 35 35 THR N N 35 113.078 113.078 114.781 -1.703 25142 4009 1 11 . 1 1 35 35 THR HA H 35 4.445 4.445 4.721 -0.276 25142 4010 1 11 . 1 1 35 35 THR C C 35 175.115 175.115 175.188 -0.073 25142 4011 1 11 . 1 1 35 35 THR CA C 35 59.582 59.582 60.466 -0.884 25142 4012 1 11 . 1 1 35 35 THR CB C 35 70.823 70.823 70.819 0.004 25142 4013 1 11 . 1 1 35 35 THR H H 35 7.729 7.729 8.151 -0.422 25142 4014 1 11 . 1 1 36 36 ARG N N 36 122.118 122.118 125.876 -3.758 25142 4015 1 11 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.074 -0.245 25142 4016 1 11 . 1 1 36 36 ARG C C 36 178.596 178.596 177.564 1.032 25142 4017 1 11 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.445 0.699 25142 4018 1 11 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.434 -1.345 25142 4019 1 11 . 1 1 36 36 ARG H H 36 8.951 8.951 8.896 0.055 25142 4020 1 11 . 1 1 37 37 ASP N N 37 116.410 116.410 118.877 -2.467 25142 4021 1 11 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.426 -0.000 25142 4022 1 11 . 1 1 37 37 ASP C C 37 178.603 178.603 178.779 -0.176 25142 4023 1 11 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.752 0.003 25142 4024 1 11 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.389 -0.199 25142 4025 1 11 . 1 1 37 37 ASP H H 37 8.454 8.454 7.921 0.533 25142 4026 1 11 . 1 1 38 38 ARG N N 38 121.073 121.073 119.954 1.119 25142 4027 1 11 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.478 -0.261 25142 4028 1 11 . 1 1 38 38 ARG C C 38 177.751 177.751 178.514 -0.763 25142 4029 1 11 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.259 -0.645 25142 4030 1 11 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.203 -0.271 25142 4031 1 11 . 1 1 38 38 ARG H H 38 7.795 7.795 7.768 0.027 25142 4032 1 11 . 1 1 39 39 ARG N N 39 119.603 119.603 118.812 0.791 25142 4033 1 11 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.061 -0.387 25142 4034 1 11 . 1 1 39 39 ARG C C 39 177.405 177.405 179.134 -1.729 25142 4035 1 11 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.504 0.781 25142 4036 1 11 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.039 0.034 25142 4037 1 11 . 1 1 39 39 ARG H H 39 8.650 8.650 7.673 0.977 25142 4038 1 11 . 1 1 40 40 TYR N N 40 116.995 116.995 120.713 -3.718 25142 4039 1 11 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.215 -0.144 25142 4040 1 11 . 1 1 40 40 TYR C C 40 177.632 177.632 176.798 0.834 25142 4041 1 11 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.951 1.441 25142 4042 1 11 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.781 -0.980 25142 4043 1 11 . 1 1 40 40 TYR H H 40 7.893 7.893 7.950 -0.057 25142 4044 1 11 . 1 1 41 41 GLU N N 41 120.324 120.324 118.728 1.596 25142 4045 1 11 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.828 0.311 25142 4046 1 11 . 1 1 41 41 GLU C C 41 178.263 178.263 179.156 -0.893 25142 4047 1 11 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.362 -1.326 25142 4048 1 11 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.391 0.682 25142 4049 1 11 . 1 1 41 41 GLU H H 41 7.687 7.687 7.932 -0.245 25142 4050 1 11 . 1 1 42 42 VAL N N 42 120.030 120.030 115.051 4.979 25142 4051 1 11 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.143 -0.622 25142 4052 1 11 . 1 1 42 42 VAL C C 42 177.248 177.248 177.177 0.071 25142 4053 1 11 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.678 1.508 25142 4054 1 11 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.200 1.402 25142 4055 1 11 . 1 1 42 42 VAL H H 42 8.675 8.675 8.392 0.283 25142 4056 1 11 . 1 1 43 43 ALA N N 43 119.887 119.887 122.418 -2.531 25142 4057 1 11 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.119 -0.551 25142 4058 1 11 . 1 1 43 43 ALA C C 43 179.037 179.037 179.297 -0.260 25142 4059 1 11 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.467 1.602 25142 4060 1 11 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.752 -1.326 25142 4061 1 11 . 1 1 43 43 ALA H H 43 8.026 8.026 7.200 0.826 25142 4062 1 11 . 1 1 44 44 ARG N N 44 116.238 116.238 117.046 -0.808 25142 4063 1 11 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.100 -0.099 25142 4064 1 11 . 1 1 44 44 ARG C C 44 180.290 180.290 178.416 1.874 25142 4065 1 11 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.859 1.442 25142 4066 1 11 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.025 0.048 25142 4067 1 11 . 1 1 44 44 ARG H H 44 7.771 7.771 7.677 0.094 25142 4068 1 11 . 1 1 45 45 VAL N N 45 118.391 118.391 114.835 3.556 25142 4069 1 11 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.102 -0.292 25142 4070 1 11 . 1 1 45 45 VAL C C 45 177.986 177.986 176.740 1.246 25142 4071 1 11 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.670 0.533 25142 4072 1 11 . 1 1 45 45 VAL CB C 45 32.602 32.602 31.701 0.901 25142 4073 1 11 . 1 1 45 45 VAL H H 45 8.250 8.250 7.548 0.702 25142 4074 1 11 . 1 1 46 46 LEU N N 46 116.008 116.008 120.005 -3.997 25142 4075 1 11 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.376 0.131 25142 4076 1 11 . 1 1 46 46 LEU C C 46 176.657 176.657 176.765 -0.108 25142 4077 1 11 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.708 -0.044 25142 4078 1 11 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.251 -0.076 25142 4079 1 11 . 1 1 46 46 LEU H H 46 7.896 7.896 7.602 0.294 25142 4080 1 11 . 1 1 47 47 ASN N N 47 117.881 117.881 112.808 5.073 25142 4081 1 11 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.250 0.191 25142 4082 1 11 . 1 1 47 47 ASN C C 47 173.788 173.788 173.801 -0.013 25142 4083 1 11 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.243 0.561 25142 4084 1 11 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.535 0.283 25142 4085 1 11 . 1 1 47 47 ASN H H 47 7.992 7.992 7.805 0.187 25142 4086 1 11 . 1 1 48 48 LEU N N 48 119.211 119.211 116.591 2.620 25142 4087 1 11 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.623 0.254 25142 4088 1 11 . 1 1 48 48 LEU C C 48 176.505 176.505 175.637 0.868 25142 4089 1 11 . 1 1 48 48 LEU CA C 48 52.832 52.832 53.002 -0.170 25142 4090 1 11 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.089 3.830 25142 4091 1 11 . 1 1 48 48 LEU H H 48 8.517 8.517 7.737 0.780 25142 4092 1 11 . 1 1 49 49 THR N N 49 109.223 109.223 113.456 -4.233 25142 4093 1 11 . 1 1 49 49 THR HA H 49 4.648 4.648 4.622 0.026 25142 4094 1 11 . 1 1 49 49 THR C C 49 176.663 176.663 175.281 1.382 25142 4095 1 11 . 1 1 49 49 THR CA C 49 60.566 60.566 61.081 -0.515 25142 4096 1 11 . 1 1 49 49 THR CB C 49 70.824 70.824 70.975 -0.151 25142 4097 1 11 . 1 1 49 49 THR H H 49 8.694 8.694 8.139 0.555 25142 4098 1 11 . 1 1 50 50 GLU N N 50 121.200 121.200 123.371 -2.171 25142 4099 1 11 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.040 -0.387 25142 4100 1 11 . 1 1 50 50 GLU C C 50 178.500 178.500 179.142 -0.642 25142 4101 1 11 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.242 0.745 25142 4102 1 11 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.676 0.256 25142 4103 1 11 . 1 1 50 50 GLU H H 50 9.184 9.184 8.809 0.376 25142 4104 1 11 . 1 1 51 51 ARG N N 51 119.168 119.168 119.152 0.016 25142 4105 1 11 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.161 -0.158 25142 4106 1 11 . 1 1 51 51 ARG C C 51 177.979 177.979 178.756 -0.777 25142 4107 1 11 . 1 1 51 51 ARG CA C 51 59.301 59.301 59.288 0.013 25142 4108 1 11 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.877 0.196 25142 4109 1 11 . 1 1 51 51 ARG H H 51 8.220 8.220 8.539 -0.319 25142 4110 1 11 . 1 1 52 52 GLN N N 52 117.548 117.548 118.448 -0.900 25142 4111 1 11 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.188 -0.099 25142 4112 1 11 . 1 1 52 52 GLN C C 52 180.689 180.689 178.277 2.412 25142 4113 1 11 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.231 0.632 25142 4114 1 11 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.023 2.191 25142 4115 1 11 . 1 1 52 52 GLN H H 52 8.029 8.029 8.345 -0.316 25142 4116 1 11 . 1 1 53 53 VAL N N 53 121.408 121.408 119.238 2.170 25142 4117 1 11 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.689 0.124 25142 4118 1 11 . 1 1 53 53 VAL C C 53 176.662 176.662 178.122 -1.460 25142 4119 1 11 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.153 2.001 25142 4120 1 11 . 1 1 53 53 VAL CB C 53 32.602 32.602 30.803 1.799 25142 4121 1 11 . 1 1 53 53 VAL H H 53 8.004 8.004 7.794 0.210 25142 4122 1 11 . 1 1 54 54 LYS N N 54 121.266 121.266 120.389 0.877 25142 4123 1 11 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.644 0.603 25142 4124 1 11 . 1 1 54 54 LYS C C 54 179.996 179.996 179.286 0.710 25142 4125 1 11 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.863 0.141 25142 4126 1 11 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.222 0.380 25142 4127 1 11 . 1 1 54 54 LYS H H 54 8.527 8.527 7.196 1.331 25142 4128 1 11 . 1 1 55 55 ILE N N 55 119.453 119.453 119.612 -0.159 25142 4129 1 11 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.778 0.082 25142 4130 1 11 . 1 1 55 55 ILE C C 55 177.548 177.548 177.941 -0.393 25142 4131 1 11 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.241 -1.303 25142 4132 1 11 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.711 0.512 25142 4133 1 11 . 1 1 55 55 ILE H H 55 8.748 8.748 8.178 0.570 25142 4134 1 11 . 1 1 56 56 TRP N N 56 122.220 122.220 121.847 0.373 25142 4135 1 11 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.273 -0.366 25142 4136 1 11 . 1 1 56 56 TRP C C 56 180.094 180.094 178.108 1.986 25142 4137 1 11 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.004 2.934 25142 4138 1 11 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.888 -0.518 25142 4139 1 11 . 1 1 56 56 TRP H H 56 8.076 8.076 8.311 -0.235 25142 4140 1 11 . 1 1 57 57 PHE N N 57 119.464 119.464 119.706 -0.242 25142 4141 1 11 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.099 -0.239 25142 4142 1 11 . 1 1 57 57 PHE C C 57 177.749 177.749 177.885 -0.136 25142 4143 1 11 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.446 2.492 25142 4144 1 11 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.087 0.541 25142 4145 1 11 . 1 1 57 57 PHE H H 57 8.859 8.859 8.195 0.664 25142 4146 1 11 . 1 1 58 58 GLN N N 58 118.649 118.649 118.816 -0.167 25142 4147 1 11 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.913 0.090 25142 4148 1 11 . 1 1 58 58 GLN C C 58 178.888 178.888 178.256 0.632 25142 4149 1 11 . 1 1 58 58 GLN CA C 58 59.301 59.301 58.904 0.397 25142 4150 1 11 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.360 0.307 25142 4151 1 11 . 1 1 58 58 GLN H H 58 8.240 8.240 8.424 -0.184 25142 4152 1 11 . 1 1 59 59 ASN N N 59 118.104 118.104 118.293 -0.189 25142 4153 1 11 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.281 0.036 25142 4154 1 11 . 1 1 59 59 ASN C C 59 177.504 177.504 177.550 -0.046 25142 4155 1 11 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.078 0.132 25142 4156 1 11 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.996 -0.195 25142 4157 1 11 . 1 1 59 59 ASN H H 59 8.320 8.320 8.020 0.300 25142 4158 1 11 . 1 1 60 60 ARG N N 60 122.957 122.957 119.264 3.693 25142 4159 1 11 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.871 -0.475 25142 4160 1 11 . 1 1 60 60 ARG C C 60 179.229 179.229 178.390 0.839 25142 4161 1 11 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.767 -2.136 25142 4162 1 11 . 1 1 60 60 ARG CB C 60 28.387 28.387 30.276 -1.889 25142 4163 1 11 . 1 1 60 60 ARG H H 60 8.113 8.113 7.661 0.452 25142 4164 1 11 . 1 1 61 61 ARG N N 61 117.860 117.860 119.346 -1.486 25142 4165 1 11 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.052 0.037 25142 4166 1 11 . 1 1 61 61 ARG C C 61 178.883 178.883 178.247 0.636 25142 4167 1 11 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.930 1.933 25142 4168 1 11 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.650 1.265 25142 4169 1 11 . 1 1 61 61 ARG H H 61 7.902 7.902 7.415 0.487 25142 4170 1 11 . 1 1 62 62 MET N N 62 117.859 117.859 118.656 -0.797 25142 4171 1 11 . 1 1 62 62 MET HA H 62 4.263 4.263 3.916 0.347 25142 4172 1 11 . 1 1 62 62 MET C C 62 177.644 177.644 178.269 -0.625 25142 4173 1 11 . 1 1 62 62 MET CA C 62 57.474 57.474 59.482 -2.008 25142 4174 1 11 . 1 1 62 62 MET CB C 62 30.494 30.494 32.231 -1.737 25142 4175 1 11 . 1 1 62 62 MET H H 62 7.535 7.535 7.878 -0.343 25142 4176 1 11 . 1 1 63 63 LYS N N 63 118.415 118.415 118.540 -0.125 25142 4177 1 11 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.984 0.148 25142 4178 1 11 . 1 1 63 63 LYS C C 63 177.090 177.090 178.876 -1.786 25142 4179 1 11 . 1 1 63 63 LYS CA C 63 57.615 57.615 59.094 -1.480 25142 4180 1 11 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.895 1.129 25142 4181 1 11 . 1 1 63 63 LYS H H 63 7.426 7.426 7.707 -0.281 25142 4182 1 11 . 1 1 64 64 MET N N 64 117.987 117.987 116.141 1.846 25142 4183 1 11 . 1 1 64 64 MET HA H 64 4.271 4.271 4.415 -0.144 25142 4184 1 11 . 1 1 64 64 MET C C 64 176.223 176.223 176.987 -0.764 25142 4185 1 11 . 1 1 64 64 MET CA C 64 57.632 57.632 57.708 -0.076 25142 4186 1 11 . 1 1 64 64 MET H H 64 7.538 7.538 7.357 0.181 25142 4187 1 11 . 1 1 65 65 LYS N N 65 120.643 120.643 118.923 1.720 25142 4188 1 11 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.199 0.100 25142 4189 1 11 . 1 1 65 65 LYS C C 65 175.950 175.950 177.903 -1.953 25142 4190 1 11 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.528 0.104 25142 4191 1 11 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.661 0.362 25142 4192 1 11 . 1 1 65 65 LYS H H 65 7.930 7.930 7.518 0.412 25142 4193 1 11 . 1 1 66 66 LYS N N 66 122.089 122.089 119.349 2.740 25142 4194 1 11 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.293 -0.022 25142 4195 1 11 . 1 1 66 66 LYS C C 66 176.302 176.302 176.672 -0.370 25142 4196 1 11 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.424 2.067 25142 4197 1 11 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.403 -0.783 25142 4198 1 11 . 1 1 66 66 LYS H H 66 8.172 8.172 7.735 0.437 25142 4199 1 11 . 1 1 67 67 MET N N 67 119.918 119.918 120.420 -0.502 25142 4200 1 11 . 1 1 67 67 MET HA H 67 4.765 4.765 4.058 0.707 25142 4201 1 11 . 1 1 67 67 MET C C 67 175.047 175.047 174.852 0.195 25142 4202 1 11 . 1 1 67 67 MET H H 67 8.056 8.056 7.773 0.283 25142 4203 1 12 . 1 1 2 2 ASN N N 2 125.670 125.670 118.684 6.986 25142 4204 1 12 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.897 -0.760 25142 4205 1 12 . 1 1 2 2 ASN C C 2 170.976 170.976 175.454 -4.478 25142 4206 1 12 . 1 1 2 2 ASN CA C 2 53.812 53.812 53.983 -0.171 25142 4207 1 12 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.746 -1.858 25142 4208 1 12 . 1 1 2 2 ASN H H 2 7.926 7.926 8.779 -0.853 25142 4209 1 12 . 1 1 3 3 TRP N N 3 122.562 122.562 115.609 6.953 25142 4210 1 12 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.840 -0.078 25142 4211 1 12 . 1 1 3 3 TRP C C 3 176.062 176.062 175.071 0.991 25142 4212 1 12 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.469 0.501 25142 4213 1 12 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.643 -0.014 25142 4214 1 12 . 1 1 3 3 TRP H H 3 7.920 7.920 7.780 0.140 25142 4215 1 12 . 1 1 4 4 ILE N N 4 122.339 122.339 119.054 3.285 25142 4216 1 12 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.028 0.143 25142 4217 1 12 . 1 1 4 4 ILE C C 4 175.825 175.825 176.777 -0.952 25142 4218 1 12 . 1 1 4 4 ILE CA C 4 61.409 61.409 60.956 0.453 25142 4219 1 12 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.255 1.391 25142 4220 1 12 . 1 1 4 4 ILE H H 4 7.893 7.893 6.913 0.980 25142 4221 1 12 . 1 1 5 5 HIS N N 5 122.699 122.699 121.466 1.233 25142 4222 1 12 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.314 0.214 25142 4223 1 12 . 1 1 5 5 HIS C C 5 175.039 175.039 174.997 0.042 25142 4224 1 12 . 1 1 5 5 HIS CA C 5 56.069 56.069 57.355 -1.286 25142 4225 1 12 . 1 1 5 5 HIS CB C 5 30.634 30.634 29.621 1.013 25142 4226 1 12 . 1 1 5 5 HIS H H 5 8.015 8.015 7.745 0.270 25142 4227 1 12 . 1 1 6 6 ALA N N 6 125.335 125.335 121.088 4.247 25142 4228 1 12 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.111 0.157 25142 4229 1 12 . 1 1 6 6 ALA C C 6 177.735 177.735 176.392 1.343 25142 4230 1 12 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.381 0.316 25142 4231 1 12 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.905 0.348 25142 4232 1 12 . 1 1 6 6 ALA H H 6 8.183 8.183 8.014 0.169 25142 4233 1 12 . 1 1 7 7 ARG N N 7 120.137 120.137 123.420 -3.283 25142 4234 1 12 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.475 -0.184 25142 4235 1 12 . 1 1 7 7 ARG C C 7 176.556 176.556 175.365 1.191 25142 4236 1 12 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.681 0.545 25142 4237 1 12 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.391 0.542 25142 4238 1 12 . 1 1 7 7 ARG H H 7 8.399 8.399 8.375 0.024 25142 4239 1 12 . 1 1 9 9 THR N N 9 115.696 115.696 116.319 -0.623 25142 4240 1 12 . 1 1 9 9 THR HA H 9 4.311 4.311 4.530 -0.219 25142 4241 1 12 . 1 1 9 9 THR C C 9 174.493 174.493 173.765 0.728 25142 4242 1 12 . 1 1 9 9 THR CA C 9 61.970 61.970 61.709 0.261 25142 4243 1 12 . 1 1 9 9 THR CB C 9 69.840 69.840 70.266 -0.427 25142 4244 1 12 . 1 1 9 9 THR H H 9 8.081 8.081 8.305 -0.224 25142 4245 1 12 . 1 1 10 10 ARG N N 10 123.599 123.599 123.356 0.243 25142 4246 1 12 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.689 -0.376 25142 4247 1 12 . 1 1 10 10 ARG C C 10 176.173 176.173 175.941 0.232 25142 4248 1 12 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.967 0.260 25142 4249 1 12 . 1 1 10 10 ARG CB C 10 30.933 30.933 31.212 -0.279 25142 4250 1 12 . 1 1 10 10 ARG H H 10 8.275 8.275 8.566 -0.291 25142 4251 1 12 . 1 1 11 11 LYS N N 11 123.132 123.132 122.255 0.877 25142 4252 1 12 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.405 -0.107 25142 4253 1 12 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.390 0.258 25142 4254 1 12 . 1 1 11 11 LYS CB C 11 33.181 33.181 33.351 -0.170 25142 4255 1 12 . 1 1 11 11 LYS H H 11 8.334 8.334 8.762 -0.428 25142 4256 1 12 . 1 1 12 12 LYS N N 12 123.229 123.229 121.812 1.417 25142 4257 1 12 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.529 -0.275 25142 4258 1 12 . 1 1 12 12 LYS C C 12 176.124 176.124 176.391 -0.267 25142 4259 1 12 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.566 1.065 25142 4260 1 12 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.167 -0.003 25142 4261 1 12 . 1 1 12 12 LYS H H 12 8.357 8.357 7.994 0.363 25142 4262 1 12 . 1 1 13 13 ARG N N 13 123.166 123.166 121.763 1.403 25142 4263 1 12 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.464 -0.147 25142 4264 1 12 . 1 1 13 13 ARG C C 13 175.831 175.831 176.085 -0.254 25142 4265 1 12 . 1 1 13 13 ARG CA C 13 56.210 56.210 55.767 0.443 25142 4266 1 12 . 1 1 13 13 ARG CB C 13 30.073 30.073 29.110 0.963 25142 4267 1 12 . 1 1 13 13 ARG H H 13 8.439 8.439 8.744 -0.305 25142 4268 1 12 . 1 1 14 14 CYS N N 14 123.412 123.412 122.216 1.196 25142 4269 1 12 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.343 0.271 25142 4270 1 12 . 1 1 14 14 CYS CA C 14 56.771 56.771 58.613 -1.842 25142 4271 1 12 . 1 1 14 14 CYS H H 14 8.542 8.542 8.845 -0.303 25142 4272 1 12 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.351 -0.018 25142 4273 1 12 . 1 1 15 15 PRO C C 15 175.713 175.713 176.036 -0.323 25142 4274 1 12 . 1 1 15 15 PRO CA C 15 63.798 63.798 64.023 -0.225 25142 4275 1 12 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.888 0.152 25142 4276 1 12 . 1 1 16 16 TYR N N 16 116.961 116.961 118.530 -1.569 25142 4277 1 12 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.503 0.422 25142 4278 1 12 . 1 1 16 16 TYR C C 16 176.803 176.803 176.747 0.056 25142 4279 1 12 . 1 1 16 16 TYR CA C 16 56.583 56.583 58.948 -2.365 25142 4280 1 12 . 1 1 16 16 TYR CB C 16 40.045 40.045 37.590 2.455 25142 4281 1 12 . 1 1 16 16 TYR H H 16 7.539 7.539 8.032 -0.493 25142 4282 1 12 . 1 1 17 17 THR N N 17 115.107 115.107 119.344 -4.237 25142 4283 1 12 . 1 1 17 17 THR HA H 17 4.469 4.469 4.658 -0.189 25142 4284 1 12 . 1 1 17 17 THR C C 17 175.593 175.593 175.767 -0.174 25142 4285 1 12 . 1 1 17 17 THR CA C 17 60.987 60.987 60.303 0.684 25142 4286 1 12 . 1 1 17 17 THR CB C 17 71.240 71.240 71.238 0.002 25142 4287 1 12 . 1 1 17 17 THR H H 17 9.305 9.305 8.778 0.527 25142 4288 1 12 . 1 1 18 18 LYS N N 18 123.297 123.297 120.882 2.415 25142 4289 1 12 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.073 0.018 25142 4290 1 12 . 1 1 18 18 LYS C C 18 178.363 178.363 178.675 -0.312 25142 4291 1 12 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.893 0.111 25142 4292 1 12 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.316 -0.276 25142 4293 1 12 . 1 1 18 18 LYS H H 18 8.990 8.990 8.796 0.194 25142 4294 1 12 . 1 1 19 19 TYR N N 19 118.372 118.372 119.777 -1.405 25142 4295 1 12 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.030 0.141 25142 4296 1 12 . 1 1 19 19 TYR C C 19 176.959 176.959 177.293 -0.334 25142 4297 1 12 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.269 -0.860 25142 4298 1 12 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.406 0.396 25142 4299 1 12 . 1 1 19 19 TYR H H 19 8.334 8.334 8.268 0.066 25142 4300 1 12 . 1 1 20 20 GLN N N 20 116.238 116.238 117.443 -1.205 25142 4301 1 12 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.864 -0.328 25142 4302 1 12 . 1 1 20 20 GLN C C 20 177.491 177.491 178.003 -0.512 25142 4303 1 12 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.308 -0.007 25142 4304 1 12 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.109 -0.004 25142 4305 1 12 . 1 1 20 20 GLN H H 20 7.771 7.771 8.379 -0.608 25142 4306 1 12 . 1 1 21 21 THR N N 21 112.943 112.943 115.238 -2.295 25142 4307 1 12 . 1 1 21 21 THR HA H 21 3.401 3.401 4.152 -0.751 25142 4308 1 12 . 1 1 21 21 THR C C 21 175.530 175.530 176.753 -1.223 25142 4309 1 12 . 1 1 21 21 THR CA C 21 67.451 67.451 65.694 1.757 25142 4310 1 12 . 1 1 21 21 THR CB C 21 68.856 68.856 68.893 -0.037 25142 4311 1 12 . 1 1 21 21 THR H H 21 8.468 8.468 7.771 0.697 25142 4312 1 12 . 1 1 22 22 LEU N N 22 121.513 121.513 121.391 0.122 25142 4313 1 12 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.514 -0.535 25142 4314 1 12 . 1 1 22 22 LEU C C 22 180.452 180.452 177.891 2.561 25142 4315 1 12 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.872 0.164 25142 4316 1 12 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.627 0.250 25142 4317 1 12 . 1 1 22 22 LEU H H 22 8.054 8.054 7.627 0.427 25142 4318 1 12 . 1 1 23 23 GLU N N 23 118.464 118.464 117.519 0.945 25142 4319 1 12 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.126 -0.290 25142 4320 1 12 . 1 1 23 23 GLU C C 23 179.824 179.824 178.990 0.834 25142 4321 1 12 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.126 0.472 25142 4322 1 12 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.654 1.278 25142 4323 1 12 . 1 1 23 23 GLU H H 23 7.732 7.732 7.536 0.196 25142 4324 1 12 . 1 1 24 24 LEU N N 24 124.210 124.210 120.338 3.872 25142 4325 1 12 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.224 -0.712 25142 4326 1 12 . 1 1 24 24 LEU C C 24 177.592 177.592 178.654 -1.062 25142 4327 1 12 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.999 0.459 25142 4328 1 12 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.272 -4.752 25142 4329 1 12 . 1 1 24 24 LEU H H 24 8.335 8.335 8.106 0.229 25142 4330 1 12 . 1 1 25 25 GLU N N 25 119.137 119.137 117.218 1.919 25142 4331 1 12 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.149 0.098 25142 4332 1 12 . 1 1 25 25 GLU C C 25 179.021 179.021 178.715 0.306 25142 4333 1 12 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.915 1.088 25142 4334 1 12 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.022 -0.354 25142 4335 1 12 . 1 1 25 25 GLU H H 25 7.912 7.912 8.269 -0.357 25142 4336 1 12 . 1 1 26 26 LYS N N 26 118.579 118.579 118.542 0.037 25142 4337 1 12 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.327 -0.410 25142 4338 1 12 . 1 1 26 26 LYS C C 26 179.351 179.351 178.520 0.831 25142 4339 1 12 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.202 1.801 25142 4340 1 12 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.511 0.091 25142 4341 1 12 . 1 1 26 26 LYS H H 26 7.537 7.537 7.418 0.119 25142 4342 1 12 . 1 1 27 27 GLU N N 27 120.048 120.048 119.786 0.262 25142 4343 1 12 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.152 -0.007 25142 4344 1 12 . 1 1 27 27 GLU C C 27 178.189 178.189 178.075 0.114 25142 4345 1 12 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.195 0.825 25142 4346 1 12 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.887 -0.360 25142 4347 1 12 . 1 1 27 27 GLU H H 27 7.849 7.849 7.587 0.262 25142 4348 1 12 . 1 1 28 28 PHE N N 28 122.074 122.074 121.381 0.693 25142 4349 1 12 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.051 0.307 25142 4350 1 12 . 1 1 28 28 PHE C C 28 176.148 176.148 176.549 -0.401 25142 4351 1 12 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.437 1.393 25142 4352 1 12 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.899 0.448 25142 4353 1 12 . 1 1 28 28 PHE H H 28 8.893 8.893 7.537 1.356 25142 4354 1 12 . 1 1 29 29 LEU N N 29 115.649 115.649 119.105 -3.456 25142 4355 1 12 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.965 -0.002 25142 4356 1 12 . 1 1 29 29 LEU C C 29 179.362 179.362 177.855 1.507 25142 4357 1 12 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.366 -0.016 25142 4358 1 12 . 1 1 29 29 LEU CB C 29 41.756 41.756 40.778 0.978 25142 4359 1 12 . 1 1 29 29 LEU H H 29 7.919 7.919 7.436 0.483 25142 4360 1 12 . 1 1 30 30 PHE N N 30 119.314 119.314 119.156 0.158 25142 4361 1 12 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.194 0.251 25142 4362 1 12 . 1 1 30 30 PHE C C 30 176.451 176.451 175.960 0.491 25142 4363 1 12 . 1 1 30 30 PHE CA C 30 59.582 59.582 58.644 0.938 25142 4364 1 12 . 1 1 30 30 PHE CB C 30 39.628 39.628 39.031 0.597 25142 4365 1 12 . 1 1 30 30 PHE H H 30 7.584 7.584 8.192 -0.608 25142 4366 1 12 . 1 1 31 31 ASN N N 31 116.457 116.457 118.633 -2.176 25142 4367 1 12 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.143 0.449 25142 4368 1 12 . 1 1 31 31 ASN C C 31 173.302 173.302 175.916 -2.614 25142 4369 1 12 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.138 -1.177 25142 4370 1 12 . 1 1 31 31 ASN CB C 31 39.347 39.347 37.899 1.448 25142 4371 1 12 . 1 1 31 31 ASN H H 31 8.375 8.375 8.004 0.371 25142 4372 1 12 . 1 1 32 32 MET N N 32 121.247 121.247 115.422 5.825 25142 4373 1 12 . 1 1 32 32 MET HA H 32 3.761 3.761 4.475 -0.714 25142 4374 1 12 . 1 1 32 32 MET C C 32 174.112 174.112 175.753 -1.641 25142 4375 1 12 . 1 1 32 32 MET CA C 32 57.474 57.474 56.340 1.134 25142 4376 1 12 . 1 1 32 32 MET CB C 32 33.586 33.586 34.597 -1.011 25142 4377 1 12 . 1 1 32 32 MET H H 32 8.185 8.185 7.553 0.632 25142 4378 1 12 . 1 1 33 33 TYR N N 33 115.333 115.333 114.987 0.346 25142 4379 1 12 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.495 0.182 25142 4380 1 12 . 1 1 33 33 TYR C C 33 175.017 175.017 173.198 1.819 25142 4381 1 12 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.461 -0.268 25142 4382 1 12 . 1 1 33 33 TYR CB C 33 40.190 40.190 39.546 0.644 25142 4383 1 12 . 1 1 33 33 TYR H H 33 7.758 7.758 7.089 0.669 25142 4384 1 12 . 1 1 34 34 LEU N N 34 122.393 122.393 121.178 1.215 25142 4385 1 12 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.778 -0.186 25142 4386 1 12 . 1 1 34 34 LEU C C 34 178.373 178.373 175.677 2.696 25142 4387 1 12 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.320 -0.359 25142 4388 1 12 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.656 -1.812 25142 4389 1 12 . 1 1 34 34 LEU H H 34 8.293 8.293 8.384 -0.091 25142 4390 1 12 . 1 1 35 35 THR N N 35 113.078 113.078 116.002 -2.924 25142 4391 1 12 . 1 1 35 35 THR HA H 35 4.445 4.445 4.742 -0.297 25142 4392 1 12 . 1 1 35 35 THR C C 35 175.115 175.115 175.533 -0.418 25142 4393 1 12 . 1 1 35 35 THR CA C 35 59.582 59.582 60.347 -0.765 25142 4394 1 12 . 1 1 35 35 THR CB C 35 70.823 70.823 70.662 0.161 25142 4395 1 12 . 1 1 35 35 THR H H 35 7.729 7.729 8.227 -0.498 25142 4396 1 12 . 1 1 36 36 ARG N N 36 122.118 122.118 125.010 -2.892 25142 4397 1 12 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.107 -0.278 25142 4398 1 12 . 1 1 36 36 ARG C C 36 178.596 178.596 177.720 0.876 25142 4399 1 12 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.314 0.830 25142 4400 1 12 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.406 -1.317 25142 4401 1 12 . 1 1 36 36 ARG H H 36 8.951 8.951 8.910 0.041 25142 4402 1 12 . 1 1 37 37 ASP N N 37 116.410 116.410 119.324 -2.914 25142 4403 1 12 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.383 0.043 25142 4404 1 12 . 1 1 37 37 ASP C C 37 178.603 178.603 178.881 -0.278 25142 4405 1 12 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.129 -0.374 25142 4406 1 12 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.356 -0.166 25142 4407 1 12 . 1 1 37 37 ASP H H 37 8.454 8.454 7.966 0.488 25142 4408 1 12 . 1 1 38 38 ARG N N 38 121.073 121.073 119.304 1.769 25142 4409 1 12 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.431 -0.214 25142 4410 1 12 . 1 1 38 38 ARG C C 38 177.751 177.751 178.562 -0.811 25142 4411 1 12 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.404 -0.790 25142 4412 1 12 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.035 -0.103 25142 4413 1 12 . 1 1 38 38 ARG H H 38 7.795 7.795 7.588 0.207 25142 4414 1 12 . 1 1 39 39 ARG N N 39 119.603 119.603 119.124 0.479 25142 4415 1 12 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.077 -0.403 25142 4416 1 12 . 1 1 39 39 ARG C C 39 177.405 177.405 179.292 -1.887 25142 4417 1 12 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.563 0.722 25142 4418 1 12 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.066 0.007 25142 4419 1 12 . 1 1 39 39 ARG H H 39 8.650 8.650 7.714 0.936 25142 4420 1 12 . 1 1 40 40 TYR N N 40 116.995 116.995 120.891 -3.896 25142 4421 1 12 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.218 -0.147 25142 4422 1 12 . 1 1 40 40 TYR C C 40 177.632 177.632 176.827 0.805 25142 4423 1 12 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.690 1.702 25142 4424 1 12 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.724 -0.923 25142 4425 1 12 . 1 1 40 40 TYR H H 40 7.893 7.893 8.388 -0.495 25142 4426 1 12 . 1 1 41 41 GLU N N 41 120.324 120.324 118.780 1.544 25142 4427 1 12 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.746 0.393 25142 4428 1 12 . 1 1 41 41 GLU C C 41 178.263 178.263 179.094 -0.831 25142 4429 1 12 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.301 -1.265 25142 4430 1 12 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.405 0.668 25142 4431 1 12 . 1 1 41 41 GLU H H 41 7.687 7.687 7.910 -0.223 25142 4432 1 12 . 1 1 42 42 VAL N N 42 120.030 120.030 114.890 5.140 25142 4433 1 12 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.094 -0.573 25142 4434 1 12 . 1 1 42 42 VAL C C 42 177.248 177.248 177.514 -0.266 25142 4435 1 12 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.932 1.254 25142 4436 1 12 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.834 0.768 25142 4437 1 12 . 1 1 42 42 VAL H H 42 8.675 8.675 8.435 0.240 25142 4438 1 12 . 1 1 43 43 ALA N N 43 119.887 119.887 121.990 -2.103 25142 4439 1 12 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.127 -0.559 25142 4440 1 12 . 1 1 43 43 ALA C C 43 179.037 179.037 179.281 -0.244 25142 4441 1 12 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.410 1.659 25142 4442 1 12 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.563 -1.137 25142 4443 1 12 . 1 1 43 43 ALA H H 43 8.026 8.026 7.194 0.832 25142 4444 1 12 . 1 1 44 44 ARG N N 44 116.238 116.238 117.633 -1.395 25142 4445 1 12 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.030 -0.029 25142 4446 1 12 . 1 1 44 44 ARG C C 44 180.290 180.290 178.393 1.897 25142 4447 1 12 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.952 0.349 25142 4448 1 12 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.503 -0.430 25142 4449 1 12 . 1 1 44 44 ARG H H 44 7.771 7.771 7.594 0.177 25142 4450 1 12 . 1 1 45 45 VAL N N 45 118.391 118.391 114.536 3.855 25142 4451 1 12 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.111 -0.301 25142 4452 1 12 . 1 1 45 45 VAL C C 45 177.986 177.986 176.968 1.018 25142 4453 1 12 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.887 0.316 25142 4454 1 12 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.354 0.248 25142 4455 1 12 . 1 1 45 45 VAL H H 45 8.250 8.250 7.477 0.773 25142 4456 1 12 . 1 1 46 46 LEU N N 46 116.008 116.008 120.227 -4.219 25142 4457 1 12 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.414 0.093 25142 4458 1 12 . 1 1 46 46 LEU C C 46 176.657 176.657 176.365 0.292 25142 4459 1 12 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.574 0.090 25142 4460 1 12 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.111 0.064 25142 4461 1 12 . 1 1 46 46 LEU H H 46 7.896 7.896 7.588 0.308 25142 4462 1 12 . 1 1 47 47 ASN N N 47 117.881 117.881 114.838 3.043 25142 4463 1 12 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.397 0.044 25142 4464 1 12 . 1 1 47 47 ASN C C 47 173.788 173.788 174.314 -0.526 25142 4465 1 12 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.312 0.492 25142 4466 1 12 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.250 0.568 25142 4467 1 12 . 1 1 47 47 ASN H H 47 7.992 7.992 7.986 0.006 25142 4468 1 12 . 1 1 48 48 LEU N N 48 119.211 119.211 116.893 2.318 25142 4469 1 12 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.698 0.179 25142 4470 1 12 . 1 1 48 48 LEU C C 48 176.505 176.505 175.957 0.548 25142 4471 1 12 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.628 0.204 25142 4472 1 12 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.495 3.424 25142 4473 1 12 . 1 1 48 48 LEU H H 48 8.517 8.517 7.981 0.536 25142 4474 1 12 . 1 1 49 49 THR N N 49 109.223 109.223 113.438 -4.215 25142 4475 1 12 . 1 1 49 49 THR HA H 49 4.648 4.648 4.572 0.076 25142 4476 1 12 . 1 1 49 49 THR C C 49 176.663 176.663 175.562 1.101 25142 4477 1 12 . 1 1 49 49 THR CA C 49 60.566 60.566 61.148 -0.582 25142 4478 1 12 . 1 1 49 49 THR CB C 49 70.824 70.824 70.996 -0.172 25142 4479 1 12 . 1 1 49 49 THR H H 49 8.694 8.694 8.351 0.343 25142 4480 1 12 . 1 1 50 50 GLU N N 50 121.200 121.200 122.876 -1.676 25142 4481 1 12 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.378 -0.725 25142 4482 1 12 . 1 1 50 50 GLU C C 50 178.500 178.500 178.222 0.278 25142 4483 1 12 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.524 0.463 25142 4484 1 12 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.495 0.437 25142 4485 1 12 . 1 1 50 50 GLU H H 50 9.184 9.184 9.028 0.156 25142 4486 1 12 . 1 1 51 51 ARG N N 51 119.168 119.168 117.858 1.310 25142 4487 1 12 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.326 -0.323 25142 4488 1 12 . 1 1 51 51 ARG C C 51 177.979 177.979 178.331 -0.352 25142 4489 1 12 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.526 0.775 25142 4490 1 12 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.394 0.679 25142 4491 1 12 . 1 1 51 51 ARG H H 51 8.220 8.220 8.771 -0.551 25142 4492 1 12 . 1 1 52 52 GLN N N 52 117.548 117.548 119.121 -1.573 25142 4493 1 12 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.138 -0.049 25142 4494 1 12 . 1 1 52 52 GLN C C 52 180.689 180.689 178.277 2.412 25142 4495 1 12 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.170 0.693 25142 4496 1 12 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.180 2.033 25142 4497 1 12 . 1 1 52 52 GLN H H 52 8.029 8.029 8.228 -0.199 25142 4498 1 12 . 1 1 53 53 VAL N N 53 121.408 121.408 119.259 2.149 25142 4499 1 12 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.689 0.124 25142 4500 1 12 . 1 1 53 53 VAL C C 53 176.662 176.662 176.629 0.033 25142 4501 1 12 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.933 2.221 25142 4502 1 12 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.869 0.733 25142 4503 1 12 . 1 1 53 53 VAL H H 53 8.004 8.004 7.564 0.440 25142 4504 1 12 . 1 1 54 54 LYS N N 54 121.266 121.266 119.699 1.567 25142 4505 1 12 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.753 0.494 25142 4506 1 12 . 1 1 54 54 LYS C C 54 179.996 179.996 178.996 1.000 25142 4507 1 12 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.510 0.494 25142 4508 1 12 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.540 1.062 25142 4509 1 12 . 1 1 54 54 LYS H H 54 8.527 8.527 7.264 1.263 25142 4510 1 12 . 1 1 55 55 ILE N N 55 119.453 119.453 119.925 -0.472 25142 4511 1 12 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.759 0.101 25142 4512 1 12 . 1 1 55 55 ILE C C 55 177.548 177.548 177.886 -0.338 25142 4513 1 12 . 1 1 55 55 ILE CA C 55 63.938 63.938 64.759 -0.821 25142 4514 1 12 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.532 0.691 25142 4515 1 12 . 1 1 55 55 ILE H H 55 8.748 8.748 8.060 0.688 25142 4516 1 12 . 1 1 56 56 TRP N N 56 122.220 122.220 122.495 -0.275 25142 4517 1 12 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.152 -0.245 25142 4518 1 12 . 1 1 56 56 TRP C C 56 180.094 180.094 177.684 2.410 25142 4519 1 12 . 1 1 56 56 TRP CA C 56 63.938 63.938 62.179 1.759 25142 4520 1 12 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.018 0.352 25142 4521 1 12 . 1 1 56 56 TRP H H 56 8.076 8.076 7.761 0.315 25142 4522 1 12 . 1 1 57 57 PHE N N 57 119.464 119.464 117.273 2.191 25142 4523 1 12 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.782 0.078 25142 4524 1 12 . 1 1 57 57 PHE C C 57 177.749 177.749 178.048 -0.299 25142 4525 1 12 . 1 1 57 57 PHE CA C 57 63.938 63.938 62.082 1.856 25142 4526 1 12 . 1 1 57 57 PHE CB C 57 39.628 39.628 38.596 1.032 25142 4527 1 12 . 1 1 57 57 PHE H H 57 8.859 8.859 7.671 1.188 25142 4528 1 12 . 1 1 58 58 GLN N N 58 118.649 118.649 118.193 0.456 25142 4529 1 12 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.962 0.041 25142 4530 1 12 . 1 1 58 58 GLN C C 58 178.888 178.888 178.704 0.184 25142 4531 1 12 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.199 0.102 25142 4532 1 12 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.490 0.177 25142 4533 1 12 . 1 1 58 58 GLN H H 58 8.240 8.240 8.132 0.108 25142 4534 1 12 . 1 1 59 59 ASN N N 59 118.104 118.104 117.616 0.488 25142 4535 1 12 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.388 -0.071 25142 4536 1 12 . 1 1 59 59 ASN C C 59 177.504 177.504 177.245 0.259 25142 4537 1 12 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.187 0.023 25142 4538 1 12 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.309 -0.508 25142 4539 1 12 . 1 1 59 59 ASN H H 59 8.320 8.320 8.002 0.318 25142 4540 1 12 . 1 1 60 60 ARG N N 60 122.957 122.957 119.824 3.133 25142 4541 1 12 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.791 -0.395 25142 4542 1 12 . 1 1 60 60 ARG C C 60 179.229 179.229 178.468 0.761 25142 4543 1 12 . 1 1 60 60 ARG CA C 60 56.631 56.631 59.006 -2.375 25142 4544 1 12 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.903 -1.516 25142 4545 1 12 . 1 1 60 60 ARG H H 60 8.113 8.113 7.662 0.451 25142 4546 1 12 . 1 1 61 61 ARG N N 61 117.860 117.860 117.788 0.072 25142 4547 1 12 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.202 -0.113 25142 4548 1 12 . 1 1 61 61 ARG C C 61 178.883 178.883 178.463 0.420 25142 4549 1 12 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.188 1.675 25142 4550 1 12 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.888 1.027 25142 4551 1 12 . 1 1 61 61 ARG H H 61 7.902 7.902 7.683 0.219 25142 4552 1 12 . 1 1 62 62 MET N N 62 117.859 117.859 118.670 -0.811 25142 4553 1 12 . 1 1 62 62 MET HA H 62 4.263 4.263 4.124 0.139 25142 4554 1 12 . 1 1 62 62 MET C C 62 177.644 177.644 178.112 -0.468 25142 4555 1 12 . 1 1 62 62 MET CA C 62 57.474 57.474 59.088 -1.614 25142 4556 1 12 . 1 1 62 62 MET CB C 62 30.494 30.494 32.044 -1.550 25142 4557 1 12 . 1 1 62 62 MET H H 62 7.535 7.535 7.413 0.122 25142 4558 1 12 . 1 1 63 63 LYS N N 63 118.415 118.415 117.956 0.459 25142 4559 1 12 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.984 0.148 25142 4560 1 12 . 1 1 63 63 LYS C C 63 177.090 177.090 178.760 -1.670 25142 4561 1 12 . 1 1 63 63 LYS CA C 63 57.615 57.615 59.203 -1.588 25142 4562 1 12 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.981 1.043 25142 4563 1 12 . 1 1 63 63 LYS H H 63 7.426 7.426 8.019 -0.593 25142 4564 1 12 . 1 1 64 64 MET N N 64 117.987 117.987 116.184 1.803 25142 4565 1 12 . 1 1 64 64 MET HA H 64 4.271 4.271 4.410 -0.139 25142 4566 1 12 . 1 1 64 64 MET C C 64 176.223 176.223 177.092 -0.869 25142 4567 1 12 . 1 1 64 64 MET CA C 64 57.632 57.632 57.685 -0.053 25142 4568 1 12 . 1 1 64 64 MET H H 64 7.538 7.538 7.361 0.177 25142 4569 1 12 . 1 1 65 65 LYS N N 65 120.643 120.643 118.122 2.521 25142 4570 1 12 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.253 0.046 25142 4571 1 12 . 1 1 65 65 LYS C C 65 175.950 175.950 177.219 -1.269 25142 4572 1 12 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.240 0.392 25142 4573 1 12 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.568 0.456 25142 4574 1 12 . 1 1 65 65 LYS H H 65 7.930 7.930 7.452 0.478 25142 4575 1 12 . 1 1 66 66 LYS N N 66 122.089 122.089 116.442 5.647 25142 4576 1 12 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.407 -0.136 25142 4577 1 12 . 1 1 66 66 LYS C C 66 176.302 176.302 176.324 -0.022 25142 4578 1 12 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.856 1.635 25142 4579 1 12 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.925 -1.305 25142 4580 1 12 . 1 1 66 66 LYS H H 66 8.172 8.172 7.621 0.551 25142 4581 1 12 . 1 1 67 67 MET N N 67 119.918 119.918 115.965 3.953 25142 4582 1 12 . 1 1 67 67 MET HA H 67 4.765 4.765 3.954 0.811 25142 4583 1 12 . 1 1 67 67 MET C C 67 175.047 175.047 174.958 0.089 25142 4584 1 12 . 1 1 67 67 MET H H 67 8.056 8.056 7.576 0.480 25142 4585 1 13 . 1 1 2 2 ASN N N 2 125.670 125.670 117.142 8.528 25142 4586 1 13 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.917 -0.780 25142 4587 1 13 . 1 1 2 2 ASN C C 2 170.976 170.976 175.211 -4.235 25142 4588 1 13 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.546 2.266 25142 4589 1 13 . 1 1 2 2 ASN CB C 2 38.888 38.888 39.725 -0.837 25142 4590 1 13 . 1 1 2 2 ASN H H 2 7.926 7.926 7.969 -0.043 25142 4591 1 13 . 1 1 3 3 TRP N N 3 122.562 122.562 116.613 5.949 25142 4592 1 13 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.857 -0.095 25142 4593 1 13 . 1 1 3 3 TRP C C 3 176.062 176.062 176.216 -0.154 25142 4594 1 13 . 1 1 3 3 TRP CA C 3 57.970 57.970 57.017 0.953 25142 4595 1 13 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.038 0.591 25142 4596 1 13 . 1 1 3 3 TRP H H 3 7.920 7.920 7.837 0.083 25142 4597 1 13 . 1 1 4 4 ILE N N 4 122.339 122.339 114.650 7.689 25142 4598 1 13 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.243 -0.072 25142 4599 1 13 . 1 1 4 4 ILE C C 4 175.825 175.825 176.245 -0.420 25142 4600 1 13 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.316 -0.907 25142 4601 1 13 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.895 0.750 25142 4602 1 13 . 1 1 4 4 ILE H H 4 7.893 7.893 7.316 0.577 25142 4603 1 13 . 1 1 5 5 HIS N N 5 122.699 122.699 115.400 7.299 25142 4604 1 13 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.708 -0.180 25142 4605 1 13 . 1 1 5 5 HIS C C 5 175.039 175.039 175.154 -0.115 25142 4606 1 13 . 1 1 5 5 HIS CA C 5 56.069 56.069 55.532 0.537 25142 4607 1 13 . 1 1 5 5 HIS CB C 5 30.634 30.634 31.389 -0.755 25142 4608 1 13 . 1 1 5 5 HIS H H 5 8.015 8.015 7.399 0.616 25142 4609 1 13 . 1 1 6 6 ALA N N 6 125.335 125.335 122.795 2.540 25142 4610 1 13 . 1 1 6 6 ALA HA H 6 4.268 4.268 3.918 0.350 25142 4611 1 13 . 1 1 6 6 ALA C C 6 177.735 177.735 178.056 -0.321 25142 4612 1 13 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.915 -0.218 25142 4613 1 13 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.368 0.885 25142 4614 1 13 . 1 1 6 6 ALA H H 6 8.183 8.183 6.888 1.295 25142 4615 1 13 . 1 1 7 7 ARG N N 7 120.137 120.137 121.377 -1.240 25142 4616 1 13 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.277 0.014 25142 4617 1 13 . 1 1 7 7 ARG C C 7 176.556 176.556 176.357 0.199 25142 4618 1 13 . 1 1 7 7 ARG CA C 7 56.226 56.226 56.255 -0.029 25142 4619 1 13 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.478 0.455 25142 4620 1 13 . 1 1 7 7 ARG H H 7 8.399 8.399 8.551 -0.152 25142 4621 1 13 . 1 1 9 9 THR N N 9 115.696 115.696 117.142 -1.446 25142 4622 1 13 . 1 1 9 9 THR HA H 9 4.311 4.311 4.422 -0.111 25142 4623 1 13 . 1 1 9 9 THR C C 9 174.493 174.493 175.260 -0.767 25142 4624 1 13 . 1 1 9 9 THR CA C 9 61.970 61.970 62.375 -0.405 25142 4625 1 13 . 1 1 9 9 THR CB C 9 69.840 69.840 69.472 0.368 25142 4626 1 13 . 1 1 9 9 THR H H 9 8.081 8.081 8.765 -0.684 25142 4627 1 13 . 1 1 10 10 ARG N N 10 123.599 123.599 125.067 -1.468 25142 4628 1 13 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.411 -0.098 25142 4629 1 13 . 1 1 10 10 ARG C C 10 176.173 176.173 175.815 0.358 25142 4630 1 13 . 1 1 10 10 ARG CA C 10 56.227 56.227 55.440 0.787 25142 4631 1 13 . 1 1 10 10 ARG CB C 10 30.933 30.933 29.908 1.025 25142 4632 1 13 . 1 1 10 10 ARG H H 10 8.275 8.275 8.736 -0.461 25142 4633 1 13 . 1 1 11 11 LYS N N 11 123.132 123.132 118.894 4.238 25142 4634 1 13 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.138 0.160 25142 4635 1 13 . 1 1 11 11 LYS CA C 11 56.648 56.648 57.171 -0.523 25142 4636 1 13 . 1 1 11 11 LYS CB C 11 33.181 33.181 32.580 0.601 25142 4637 1 13 . 1 1 11 11 LYS H H 11 8.334 8.334 7.802 0.532 25142 4638 1 13 . 1 1 12 12 LYS N N 12 123.229 123.229 120.688 2.541 25142 4639 1 13 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.419 -0.165 25142 4640 1 13 . 1 1 12 12 LYS C C 12 176.124 176.124 175.615 0.509 25142 4641 1 13 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.483 0.149 25142 4642 1 13 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.603 -0.439 25142 4643 1 13 . 1 1 12 12 LYS H H 12 8.357 8.357 8.594 -0.237 25142 4644 1 13 . 1 1 13 13 ARG N N 13 123.166 123.166 117.274 5.892 25142 4645 1 13 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.466 -0.149 25142 4646 1 13 . 1 1 13 13 ARG C C 13 175.831 175.831 175.022 0.809 25142 4647 1 13 . 1 1 13 13 ARG CA C 13 56.210 56.210 56.448 -0.238 25142 4648 1 13 . 1 1 13 13 ARG CB C 13 30.073 30.073 31.154 -1.081 25142 4649 1 13 . 1 1 13 13 ARG H H 13 8.439 8.439 7.917 0.522 25142 4650 1 13 . 1 1 14 14 CYS N N 14 123.412 123.412 119.750 3.662 25142 4651 1 13 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.484 0.130 25142 4652 1 13 . 1 1 14 14 CYS CA C 14 56.771 56.771 57.218 -0.446 25142 4653 1 13 . 1 1 14 14 CYS H H 14 8.542 8.542 8.172 0.370 25142 4654 1 13 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.396 -0.063 25142 4655 1 13 . 1 1 15 15 PRO C C 15 175.713 175.713 175.780 -0.067 25142 4656 1 13 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.501 0.297 25142 4657 1 13 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.809 0.231 25142 4658 1 13 . 1 1 16 16 TYR N N 16 116.961 116.961 117.548 -0.587 25142 4659 1 13 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.997 -0.072 25142 4660 1 13 . 1 1 16 16 TYR C C 16 176.803 176.803 175.484 1.319 25142 4661 1 13 . 1 1 16 16 TYR CA C 16 56.583 56.583 55.980 0.604 25142 4662 1 13 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.968 1.077 25142 4663 1 13 . 1 1 16 16 TYR H H 16 7.539 7.539 7.427 0.112 25142 4664 1 13 . 1 1 17 17 THR N N 17 115.107 115.107 115.001 0.106 25142 4665 1 13 . 1 1 17 17 THR HA H 17 4.469 4.469 4.630 -0.161 25142 4666 1 13 . 1 1 17 17 THR C C 17 175.593 175.593 175.765 -0.172 25142 4667 1 13 . 1 1 17 17 THR CA C 17 60.987 60.987 60.154 0.833 25142 4668 1 13 . 1 1 17 17 THR CB C 17 71.240 71.240 71.497 -0.257 25142 4669 1 13 . 1 1 17 17 THR H H 17 9.305 9.305 8.216 1.089 25142 4670 1 13 . 1 1 18 18 LYS N N 18 123.297 123.297 119.821 3.476 25142 4671 1 13 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.194 -0.103 25142 4672 1 13 . 1 1 18 18 LYS C C 18 178.363 178.363 178.511 -0.148 25142 4673 1 13 . 1 1 18 18 LYS CA C 18 60.004 60.004 58.735 1.269 25142 4674 1 13 . 1 1 18 18 LYS CB C 18 32.040 32.040 31.370 0.670 25142 4675 1 13 . 1 1 18 18 LYS H H 18 8.990 8.990 8.840 0.150 25142 4676 1 13 . 1 1 19 19 TYR N N 19 118.372 118.372 121.804 -3.432 25142 4677 1 13 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.227 -0.056 25142 4678 1 13 . 1 1 19 19 TYR C C 19 176.959 176.959 177.590 -0.631 25142 4679 1 13 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.742 -0.333 25142 4680 1 13 . 1 1 19 19 TYR CB C 19 38.802 38.802 39.085 -0.283 25142 4681 1 13 . 1 1 19 19 TYR H H 19 8.334 8.334 8.118 0.216 25142 4682 1 13 . 1 1 20 20 GLN N N 20 116.238 116.238 118.301 -2.063 25142 4683 1 13 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.864 -0.328 25142 4684 1 13 . 1 1 20 20 GLN C C 20 177.491 177.491 178.171 -0.680 25142 4685 1 13 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.371 -0.070 25142 4686 1 13 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.561 -0.456 25142 4687 1 13 . 1 1 20 20 GLN H H 20 7.771 7.771 7.854 -0.083 25142 4688 1 13 . 1 1 21 21 THR N N 21 112.943 112.943 115.054 -2.111 25142 4689 1 13 . 1 1 21 21 THR HA H 21 3.401 3.401 3.968 -0.567 25142 4690 1 13 . 1 1 21 21 THR C C 21 175.530 175.530 176.500 -0.970 25142 4691 1 13 . 1 1 21 21 THR CA C 21 67.451 67.451 65.725 1.726 25142 4692 1 13 . 1 1 21 21 THR CB C 21 68.856 68.856 68.871 -0.015 25142 4693 1 13 . 1 1 21 21 THR H H 21 8.468 8.468 7.733 0.735 25142 4694 1 13 . 1 1 22 22 LEU N N 22 121.513 121.513 121.090 0.423 25142 4695 1 13 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.337 -0.358 25142 4696 1 13 . 1 1 22 22 LEU C C 22 180.452 180.452 178.167 2.285 25142 4697 1 13 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.984 0.052 25142 4698 1 13 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.468 0.409 25142 4699 1 13 . 1 1 22 22 LEU H H 22 8.054 8.054 7.454 0.600 25142 4700 1 13 . 1 1 23 23 GLU N N 23 118.464 118.464 117.780 0.684 25142 4701 1 13 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.112 -0.276 25142 4702 1 13 . 1 1 23 23 GLU C C 23 179.824 179.824 179.189 0.635 25142 4703 1 13 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.357 0.241 25142 4704 1 13 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.534 1.398 25142 4705 1 13 . 1 1 23 23 GLU H H 23 7.732 7.732 7.547 0.185 25142 4706 1 13 . 1 1 24 24 LEU N N 24 124.210 124.210 119.455 4.755 25142 4707 1 13 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.029 -0.517 25142 4708 1 13 . 1 1 24 24 LEU C C 24 177.592 177.592 178.520 -0.928 25142 4709 1 13 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.602 0.856 25142 4710 1 13 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.830 -4.310 25142 4711 1 13 . 1 1 24 24 LEU H H 24 8.335 8.335 7.929 0.406 25142 4712 1 13 . 1 1 25 25 GLU N N 25 119.137 119.137 117.017 2.120 25142 4713 1 13 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.241 0.006 25142 4714 1 13 . 1 1 25 25 GLU C C 25 179.021 179.021 178.709 0.312 25142 4715 1 13 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.475 1.528 25142 4716 1 13 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.395 -0.727 25142 4717 1 13 . 1 1 25 25 GLU H H 25 7.912 7.912 8.175 -0.263 25142 4718 1 13 . 1 1 26 26 LYS N N 26 118.579 118.579 118.695 -0.116 25142 4719 1 13 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.356 -0.439 25142 4720 1 13 . 1 1 26 26 LYS C C 26 179.351 179.351 178.743 0.608 25142 4721 1 13 . 1 1 26 26 LYS CA C 26 60.003 60.003 57.294 2.709 25142 4722 1 13 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.120 0.482 25142 4723 1 13 . 1 1 26 26 LYS H H 26 7.537 7.537 7.683 -0.146 25142 4724 1 13 . 1 1 27 27 GLU N N 27 120.048 120.048 120.724 -0.676 25142 4725 1 13 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.085 0.060 25142 4726 1 13 . 1 1 27 27 GLU C C 27 178.189 178.189 177.847 0.342 25142 4727 1 13 . 1 1 27 27 GLU CA C 27 59.020 59.020 57.895 1.125 25142 4728 1 13 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.866 -0.339 25142 4729 1 13 . 1 1 27 27 GLU H H 27 7.849 7.849 7.706 0.143 25142 4730 1 13 . 1 1 28 28 PHE N N 28 122.074 122.074 120.156 1.918 25142 4731 1 13 . 1 1 28 28 PHE HA H 28 4.358 4.358 3.642 0.716 25142 4732 1 13 . 1 1 28 28 PHE C C 28 176.148 176.148 176.689 -0.541 25142 4733 1 13 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.182 1.648 25142 4734 1 13 . 1 1 28 28 PHE CB C 28 39.347 39.347 38.919 0.428 25142 4735 1 13 . 1 1 28 28 PHE H H 28 8.893 8.893 7.483 1.410 25142 4736 1 13 . 1 1 29 29 LEU N N 29 115.649 115.649 119.539 -3.890 25142 4737 1 13 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.859 0.104 25142 4738 1 13 . 1 1 29 29 LEU C C 29 179.362 179.362 178.565 0.797 25142 4739 1 13 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.034 -0.684 25142 4740 1 13 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.200 0.556 25142 4741 1 13 . 1 1 29 29 LEU H H 29 7.919 7.919 7.503 0.416 25142 4742 1 13 . 1 1 30 30 PHE N N 30 119.314 119.314 118.631 0.683 25142 4743 1 13 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.140 0.305 25142 4744 1 13 . 1 1 30 30 PHE C C 30 176.451 176.451 176.237 0.214 25142 4745 1 13 . 1 1 30 30 PHE CA C 30 59.582 59.582 59.053 0.529 25142 4746 1 13 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.601 1.027 25142 4747 1 13 . 1 1 30 30 PHE H H 30 7.584 7.584 7.981 -0.397 25142 4748 1 13 . 1 1 31 31 ASN N N 31 116.457 116.457 118.184 -1.727 25142 4749 1 13 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.211 0.381 25142 4750 1 13 . 1 1 31 31 ASN C C 31 173.302 173.302 176.258 -2.956 25142 4751 1 13 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.308 -1.347 25142 4752 1 13 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.389 0.958 25142 4753 1 13 . 1 1 31 31 ASN H H 31 8.375 8.375 7.865 0.510 25142 4754 1 13 . 1 1 32 32 MET N N 32 121.247 121.247 115.932 5.315 25142 4755 1 13 . 1 1 32 32 MET HA H 32 3.761 3.761 4.225 -0.464 25142 4756 1 13 . 1 1 32 32 MET C C 32 174.112 174.112 175.985 -1.873 25142 4757 1 13 . 1 1 32 32 MET CA C 32 57.474 57.474 56.569 0.905 25142 4758 1 13 . 1 1 32 32 MET CB C 32 33.586 33.586 33.719 -0.133 25142 4759 1 13 . 1 1 32 32 MET H H 32 8.185 8.185 7.479 0.706 25142 4760 1 13 . 1 1 33 33 TYR N N 33 115.333 115.333 116.887 -1.554 25142 4761 1 13 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.483 0.194 25142 4762 1 13 . 1 1 33 33 TYR C C 33 175.017 175.017 174.287 0.730 25142 4763 1 13 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.153 -0.960 25142 4764 1 13 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.271 -0.081 25142 4765 1 13 . 1 1 33 33 TYR H H 33 7.758 7.758 7.750 0.008 25142 4766 1 13 . 1 1 34 34 LEU N N 34 122.393 122.393 123.156 -0.763 25142 4767 1 13 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.737 -0.145 25142 4768 1 13 . 1 1 34 34 LEU C C 34 178.373 178.373 176.053 2.320 25142 4769 1 13 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.420 -0.459 25142 4770 1 13 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.957 -2.113 25142 4771 1 13 . 1 1 34 34 LEU H H 34 8.293 8.293 8.241 0.052 25142 4772 1 13 . 1 1 35 35 THR N N 35 113.078 113.078 116.045 -2.967 25142 4773 1 13 . 1 1 35 35 THR HA H 35 4.445 4.445 4.779 -0.334 25142 4774 1 13 . 1 1 35 35 THR C C 35 175.115 175.115 175.117 -0.002 25142 4775 1 13 . 1 1 35 35 THR CA C 35 59.582 59.582 60.332 -0.750 25142 4776 1 13 . 1 1 35 35 THR CB C 35 70.823 70.823 70.490 0.333 25142 4777 1 13 . 1 1 35 35 THR H H 35 7.729 7.729 8.285 -0.556 25142 4778 1 13 . 1 1 36 36 ARG N N 36 122.118 122.118 125.171 -3.053 25142 4779 1 13 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.061 -0.232 25142 4780 1 13 . 1 1 36 36 ARG C C 36 178.596 178.596 177.516 1.080 25142 4781 1 13 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.417 0.727 25142 4782 1 13 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.357 -1.268 25142 4783 1 13 . 1 1 36 36 ARG H H 36 8.951 8.951 8.885 0.066 25142 4784 1 13 . 1 1 37 37 ASP N N 37 116.410 116.410 117.731 -1.321 25142 4785 1 13 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.405 0.021 25142 4786 1 13 . 1 1 37 37 ASP C C 37 178.603 178.603 178.101 0.502 25142 4787 1 13 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.879 -0.124 25142 4788 1 13 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.498 -0.308 25142 4789 1 13 . 1 1 37 37 ASP H H 37 8.454 8.454 7.836 0.618 25142 4790 1 13 . 1 1 38 38 ARG N N 38 121.073 121.073 120.288 0.785 25142 4791 1 13 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.410 -0.193 25142 4792 1 13 . 1 1 38 38 ARG C C 38 177.751 177.751 178.077 -0.326 25142 4793 1 13 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.331 -0.718 25142 4794 1 13 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.046 -0.114 25142 4795 1 13 . 1 1 38 38 ARG H H 38 7.795 7.795 7.709 0.086 25142 4796 1 13 . 1 1 39 39 ARG N N 39 119.603 119.603 119.018 0.585 25142 4797 1 13 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.077 -0.403 25142 4798 1 13 . 1 1 39 39 ARG C C 39 177.405 177.405 179.186 -1.781 25142 4799 1 13 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.125 1.160 25142 4800 1 13 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.747 0.326 25142 4801 1 13 . 1 1 39 39 ARG H H 39 8.650 8.650 7.629 1.021 25142 4802 1 13 . 1 1 40 40 TYR N N 40 116.995 116.995 121.038 -4.043 25142 4803 1 13 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.151 -0.080 25142 4804 1 13 . 1 1 40 40 TYR C C 40 177.632 177.632 176.604 1.028 25142 4805 1 13 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.954 1.438 25142 4806 1 13 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.696 -0.895 25142 4807 1 13 . 1 1 40 40 TYR H H 40 7.893 7.893 8.168 -0.275 25142 4808 1 13 . 1 1 41 41 GLU N N 41 120.324 120.324 118.633 1.691 25142 4809 1 13 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.763 0.376 25142 4810 1 13 . 1 1 41 41 GLU C C 41 178.263 178.263 179.004 -0.741 25142 4811 1 13 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.221 -1.185 25142 4812 1 13 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.338 0.735 25142 4813 1 13 . 1 1 41 41 GLU H H 41 7.687 7.687 7.831 -0.144 25142 4814 1 13 . 1 1 42 42 VAL N N 42 120.030 120.030 114.054 5.976 25142 4815 1 13 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.143 -0.622 25142 4816 1 13 . 1 1 42 42 VAL C C 42 177.248 177.248 177.208 0.040 25142 4817 1 13 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.509 1.677 25142 4818 1 13 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.718 0.884 25142 4819 1 13 . 1 1 42 42 VAL H H 42 8.675 8.675 8.202 0.473 25142 4820 1 13 . 1 1 43 43 ALA N N 43 119.887 119.887 122.117 -2.230 25142 4821 1 13 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.103 -0.535 25142 4822 1 13 . 1 1 43 43 ALA C C 43 179.037 179.037 179.336 -0.299 25142 4823 1 13 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.360 1.709 25142 4824 1 13 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.685 -1.259 25142 4825 1 13 . 1 1 43 43 ALA H H 43 8.026 8.026 7.502 0.524 25142 4826 1 13 . 1 1 44 44 ARG N N 44 116.238 116.238 116.937 -0.699 25142 4827 1 13 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.059 -0.058 25142 4828 1 13 . 1 1 44 44 ARG C C 44 180.290 180.290 178.286 2.004 25142 4829 1 13 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.687 1.614 25142 4830 1 13 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.069 0.004 25142 4831 1 13 . 1 1 44 44 ARG H H 44 7.771 7.771 7.629 0.142 25142 4832 1 13 . 1 1 45 45 VAL N N 45 118.391 118.391 114.412 3.979 25142 4833 1 13 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.133 -0.323 25142 4834 1 13 . 1 1 45 45 VAL C C 45 177.986 177.986 176.568 1.418 25142 4835 1 13 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.533 0.670 25142 4836 1 13 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.025 0.577 25142 4837 1 13 . 1 1 45 45 VAL H H 45 8.250 8.250 7.494 0.756 25142 4838 1 13 . 1 1 46 46 LEU N N 46 116.008 116.008 119.517 -3.509 25142 4839 1 13 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.400 0.107 25142 4840 1 13 . 1 1 46 46 LEU C C 46 176.657 176.657 176.095 0.562 25142 4841 1 13 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.274 0.390 25142 4842 1 13 . 1 1 46 46 LEU CB C 46 42.175 42.175 41.849 0.326 25142 4843 1 13 . 1 1 46 46 LEU H H 46 7.896 7.896 7.427 0.469 25142 4844 1 13 . 1 1 47 47 ASN N N 47 117.881 117.881 112.833 5.048 25142 4845 1 13 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.297 0.144 25142 4846 1 13 . 1 1 47 47 ASN C C 47 173.788 173.788 174.221 -0.433 25142 4847 1 13 . 1 1 47 47 ASN CA C 47 54.804 54.804 53.861 0.943 25142 4848 1 13 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.005 0.813 25142 4849 1 13 . 1 1 47 47 ASN H H 47 7.992 7.992 7.436 0.556 25142 4850 1 13 . 1 1 48 48 LEU N N 48 119.211 119.211 116.912 2.299 25142 4851 1 13 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.562 0.315 25142 4852 1 13 . 1 1 48 48 LEU C C 48 176.505 176.505 176.308 0.197 25142 4853 1 13 . 1 1 48 48 LEU CA C 48 52.832 52.832 53.057 -0.225 25142 4854 1 13 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.102 3.817 25142 4855 1 13 . 1 1 48 48 LEU H H 48 8.517 8.517 7.766 0.751 25142 4856 1 13 . 1 1 49 49 THR N N 49 109.223 109.223 113.604 -4.381 25142 4857 1 13 . 1 1 49 49 THR HA H 49 4.648 4.648 4.458 0.190 25142 4858 1 13 . 1 1 49 49 THR C C 49 176.663 176.663 175.281 1.382 25142 4859 1 13 . 1 1 49 49 THR CA C 49 60.566 60.566 60.890 -0.324 25142 4860 1 13 . 1 1 49 49 THR CB C 49 70.824 70.824 70.506 0.318 25142 4861 1 13 . 1 1 49 49 THR H H 49 8.694 8.694 7.991 0.703 25142 4862 1 13 . 1 1 50 50 GLU N N 50 121.200 121.200 122.764 -1.564 25142 4863 1 13 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.032 -0.379 25142 4864 1 13 . 1 1 50 50 GLU C C 50 178.500 178.500 179.085 -0.585 25142 4865 1 13 . 1 1 50 50 GLU CA C 50 60.987 60.987 59.931 1.056 25142 4866 1 13 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.671 0.261 25142 4867 1 13 . 1 1 50 50 GLU H H 50 9.184 9.184 8.820 0.364 25142 4868 1 13 . 1 1 51 51 ARG N N 51 119.168 119.168 118.648 0.520 25142 4869 1 13 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.216 -0.213 25142 4870 1 13 . 1 1 51 51 ARG C C 51 177.979 177.979 178.435 -0.456 25142 4871 1 13 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.308 0.993 25142 4872 1 13 . 1 1 51 51 ARG CB C 51 30.073 30.073 30.080 -0.007 25142 4873 1 13 . 1 1 51 51 ARG H H 51 8.220 8.220 8.328 -0.108 25142 4874 1 13 . 1 1 52 52 GLN N N 52 117.548 117.548 120.246 -2.698 25142 4875 1 13 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.196 -0.107 25142 4876 1 13 . 1 1 52 52 GLN C C 52 180.689 180.689 178.250 2.439 25142 4877 1 13 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.011 0.852 25142 4878 1 13 . 1 1 52 52 GLN CB C 52 30.213 30.213 27.991 2.222 25142 4879 1 13 . 1 1 52 52 GLN H H 52 8.029 8.029 8.304 -0.275 25142 4880 1 13 . 1 1 53 53 VAL N N 53 121.408 121.408 118.682 2.726 25142 4881 1 13 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.762 0.051 25142 4882 1 13 . 1 1 53 53 VAL C C 53 176.662 176.662 177.346 -0.684 25142 4883 1 13 . 1 1 53 53 VAL CA C 53 68.154 68.154 65.219 2.934 25142 4884 1 13 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.511 1.091 25142 4885 1 13 . 1 1 53 53 VAL H H 53 8.004 8.004 7.617 0.387 25142 4886 1 13 . 1 1 54 54 LYS N N 54 121.266 121.266 120.408 0.858 25142 4887 1 13 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.938 0.309 25142 4888 1 13 . 1 1 54 54 LYS C C 54 179.996 179.996 178.932 1.064 25142 4889 1 13 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.761 0.242 25142 4890 1 13 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.184 0.418 25142 4891 1 13 . 1 1 54 54 LYS H H 54 8.527 8.527 7.393 1.134 25142 4892 1 13 . 1 1 55 55 ILE N N 55 119.453 119.453 119.815 -0.362 25142 4893 1 13 . 1 1 55 55 ILE HA H 55 3.860 3.860 4.037 -0.177 25142 4894 1 13 . 1 1 55 55 ILE C C 55 177.548 177.548 178.169 -0.621 25142 4895 1 13 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.126 -1.188 25142 4896 1 13 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.823 0.400 25142 4897 1 13 . 1 1 55 55 ILE H H 55 8.748 8.748 8.423 0.325 25142 4898 1 13 . 1 1 56 56 TRP N N 56 122.220 122.220 122.028 0.192 25142 4899 1 13 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.211 -0.304 25142 4900 1 13 . 1 1 56 56 TRP C C 56 180.094 180.094 177.653 2.441 25142 4901 1 13 . 1 1 56 56 TRP CA C 56 63.938 63.938 62.616 1.322 25142 4902 1 13 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.518 -0.148 25142 4903 1 13 . 1 1 56 56 TRP H H 56 8.076 8.076 8.032 0.044 25142 4904 1 13 . 1 1 57 57 PHE N N 57 119.464 119.464 119.017 0.447 25142 4905 1 13 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.002 -0.142 25142 4906 1 13 . 1 1 57 57 PHE C C 57 177.749 177.749 177.153 0.596 25142 4907 1 13 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.489 2.449 25142 4908 1 13 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.223 0.405 25142 4909 1 13 . 1 1 57 57 PHE H H 57 8.859 8.859 7.664 1.195 25142 4910 1 13 . 1 1 58 58 GLN N N 58 118.649 118.649 118.234 0.415 25142 4911 1 13 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.756 0.247 25142 4912 1 13 . 1 1 58 58 GLN C C 58 178.888 178.888 178.421 0.467 25142 4913 1 13 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.155 0.146 25142 4914 1 13 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.546 0.121 25142 4915 1 13 . 1 1 58 58 GLN H H 58 8.240 8.240 8.254 -0.014 25142 4916 1 13 . 1 1 59 59 ASN N N 59 118.104 118.104 118.275 -0.171 25142 4917 1 13 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.304 0.013 25142 4918 1 13 . 1 1 59 59 ASN C C 59 177.504 177.504 177.526 -0.022 25142 4919 1 13 . 1 1 59 59 ASN CA C 59 56.210 56.210 55.828 0.382 25142 4920 1 13 . 1 1 59 59 ASN CB C 59 37.801 37.801 37.975 -0.174 25142 4921 1 13 . 1 1 59 59 ASN H H 59 8.320 8.320 8.074 0.246 25142 4922 1 13 . 1 1 60 60 ARG N N 60 122.957 122.957 119.679 3.278 25142 4923 1 13 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.695 -0.299 25142 4924 1 13 . 1 1 60 60 ARG C C 60 179.229 179.229 177.875 1.354 25142 4925 1 13 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.252 -1.621 25142 4926 1 13 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.483 -1.096 25142 4927 1 13 . 1 1 60 60 ARG H H 60 8.113 8.113 7.833 0.280 25142 4928 1 13 . 1 1 61 61 ARG N N 61 117.860 117.860 117.881 -0.021 25142 4929 1 13 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.011 0.078 25142 4930 1 13 . 1 1 61 61 ARG C C 61 178.883 178.883 178.862 0.021 25142 4931 1 13 . 1 1 61 61 ARG CA C 61 59.863 59.863 57.671 2.192 25142 4932 1 13 . 1 1 61 61 ARG CB C 61 30.915 30.915 29.511 1.404 25142 4933 1 13 . 1 1 61 61 ARG H H 61 7.902 7.902 7.472 0.430 25142 4934 1 13 . 1 1 62 62 MET N N 62 117.859 117.859 118.686 -0.827 25142 4935 1 13 . 1 1 62 62 MET HA H 62 4.263 4.263 3.959 0.304 25142 4936 1 13 . 1 1 62 62 MET C C 62 177.644 177.644 177.918 -0.274 25142 4937 1 13 . 1 1 62 62 MET CA C 62 57.474 57.474 59.297 -1.823 25142 4938 1 13 . 1 1 62 62 MET CB C 62 30.494 30.494 31.928 -1.434 25142 4939 1 13 . 1 1 62 62 MET H H 62 7.535 7.535 7.715 -0.180 25142 4940 1 13 . 1 1 63 63 LYS N N 63 118.415 118.415 118.644 -0.229 25142 4941 1 13 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.958 0.174 25142 4942 1 13 . 1 1 63 63 LYS C C 63 177.090 177.090 177.977 -0.887 25142 4943 1 13 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.901 -1.286 25142 4944 1 13 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.952 1.072 25142 4945 1 13 . 1 1 63 63 LYS H H 63 7.426 7.426 7.468 -0.042 25142 4946 1 13 . 1 1 64 64 MET N N 64 117.987 117.987 116.315 1.672 25142 4947 1 13 . 1 1 64 64 MET HA H 64 4.271 4.271 4.437 -0.166 25142 4948 1 13 . 1 1 64 64 MET C C 64 176.223 176.223 178.582 -2.359 25142 4949 1 13 . 1 1 64 64 MET CA C 64 57.632 57.632 56.533 1.099 25142 4950 1 13 . 1 1 64 64 MET H H 64 7.538 7.538 7.657 -0.119 25142 4951 1 13 . 1 1 65 65 LYS N N 65 120.643 120.643 119.711 0.932 25142 4952 1 13 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.179 0.120 25142 4953 1 13 . 1 1 65 65 LYS C C 65 175.950 175.950 178.195 -2.245 25142 4954 1 13 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.775 -0.143 25142 4955 1 13 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.484 1.540 25142 4956 1 13 . 1 1 65 65 LYS H H 65 7.930 7.930 7.633 0.296 25142 4957 1 13 . 1 1 66 66 LYS N N 66 122.089 122.089 116.799 5.290 25142 4958 1 13 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.223 0.048 25142 4959 1 13 . 1 1 66 66 LYS C C 66 176.302 176.302 176.687 -0.385 25142 4960 1 13 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.105 1.386 25142 4961 1 13 . 1 1 66 66 LYS CB C 66 32.620 32.620 32.577 0.043 25142 4962 1 13 . 1 1 66 66 LYS H H 66 8.172 8.172 7.648 0.524 25142 4963 1 13 . 1 1 67 67 MET N N 67 119.918 119.918 120.824 -0.906 25142 4964 1 13 . 1 1 67 67 MET HA H 67 4.765 4.765 4.320 0.445 25142 4965 1 13 . 1 1 67 67 MET C C 67 175.047 175.047 175.482 -0.435 25142 4966 1 13 . 1 1 67 67 MET H H 67 8.056 8.056 7.472 0.584 25142 4967 1 14 . 1 1 2 2 ASN N N 2 125.670 125.670 116.712 8.958 25142 4968 1 14 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.631 -0.494 25142 4969 1 14 . 1 1 2 2 ASN C C 2 170.976 170.976 174.963 -3.987 25142 4970 1 14 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.653 2.159 25142 4971 1 14 . 1 1 2 2 ASN CB C 2 38.888 38.888 38.660 0.228 25142 4972 1 14 . 1 1 2 2 ASN H H 2 7.926 7.926 8.167 -0.241 25142 4973 1 14 . 1 1 3 3 TRP N N 3 122.562 122.562 118.518 4.044 25142 4974 1 14 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.109 0.653 25142 4975 1 14 . 1 1 3 3 TRP C C 3 176.062 176.062 178.042 -1.980 25142 4976 1 14 . 1 1 3 3 TRP CA C 3 57.970 57.970 60.318 -2.348 25142 4977 1 14 . 1 1 3 3 TRP CB C 3 29.629 29.629 27.238 2.391 25142 4978 1 14 . 1 1 3 3 TRP H H 3 7.920 7.920 7.735 0.185 25142 4979 1 14 . 1 1 4 4 ILE N N 4 122.339 122.339 118.911 3.428 25142 4980 1 14 . 1 1 4 4 ILE HA H 4 4.171 4.171 4.039 0.132 25142 4981 1 14 . 1 1 4 4 ILE C C 4 175.825 175.825 176.401 -0.576 25142 4982 1 14 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.203 -0.794 25142 4983 1 14 . 1 1 4 4 ILE CB C 4 38.645 38.645 38.022 0.624 25142 4984 1 14 . 1 1 4 4 ILE H H 4 7.893 7.893 8.143 -0.250 25142 4985 1 14 . 1 1 5 5 HIS N N 5 122.699 122.699 118.226 4.473 25142 4986 1 14 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.725 -0.197 25142 4987 1 14 . 1 1 5 5 HIS C C 5 175.039 175.039 175.281 -0.242 25142 4988 1 14 . 1 1 5 5 HIS CA C 5 56.069 56.069 55.186 0.883 25142 4989 1 14 . 1 1 5 5 HIS CB C 5 30.634 30.634 28.811 1.823 25142 4990 1 14 . 1 1 5 5 HIS H H 5 8.015 8.015 7.646 0.369 25142 4991 1 14 . 1 1 6 6 ALA N N 6 125.335 125.335 120.368 4.967 25142 4992 1 14 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.143 0.125 25142 4993 1 14 . 1 1 6 6 ALA C C 6 177.735 177.735 177.126 0.609 25142 4994 1 14 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.591 0.106 25142 4995 1 14 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.873 0.380 25142 4996 1 14 . 1 1 6 6 ALA H H 6 8.183 8.183 8.410 -0.227 25142 4997 1 14 . 1 1 7 7 ARG N N 7 120.137 120.137 116.511 3.626 25142 4998 1 14 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.008 0.283 25142 4999 1 14 . 1 1 7 7 ARG C C 7 176.556 176.556 174.970 1.586 25142 5000 1 14 . 1 1 7 7 ARG CA C 7 56.226 56.226 56.416 -0.190 25142 5001 1 14 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.220 0.713 25142 5002 1 14 . 1 1 7 7 ARG H H 7 8.399 8.399 7.967 0.432 25142 5003 1 14 . 1 1 9 9 THR N N 9 115.696 115.696 112.165 3.531 25142 5004 1 14 . 1 1 9 9 THR HA H 9 4.311 4.311 4.419 -0.108 25142 5005 1 14 . 1 1 9 9 THR C C 9 174.493 174.493 174.160 0.333 25142 5006 1 14 . 1 1 9 9 THR CA C 9 61.970 61.970 62.260 -0.290 25142 5007 1 14 . 1 1 9 9 THR CB C 9 69.840 69.840 69.483 0.357 25142 5008 1 14 . 1 1 9 9 THR H H 9 8.081 8.081 8.252 -0.171 25142 5009 1 14 . 1 1 10 10 ARG N N 10 123.599 123.599 123.988 -0.389 25142 5010 1 14 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.315 -0.002 25142 5011 1 14 . 1 1 10 10 ARG C C 10 176.173 176.173 175.750 0.423 25142 5012 1 14 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.328 -0.100 25142 5013 1 14 . 1 1 10 10 ARG CB C 10 30.933 30.933 29.969 0.964 25142 5014 1 14 . 1 1 10 10 ARG H H 10 8.275 8.275 7.986 0.289 25142 5015 1 14 . 1 1 11 11 LYS N N 11 123.132 123.132 126.381 -3.249 25142 5016 1 14 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.515 -0.217 25142 5017 1 14 . 1 1 11 11 LYS CA C 11 56.648 56.648 54.944 1.704 25142 5018 1 14 . 1 1 11 11 LYS CB C 11 33.181 33.181 34.651 -1.470 25142 5019 1 14 . 1 1 11 11 LYS H H 11 8.334 8.334 8.348 -0.014 25142 5020 1 14 . 1 1 12 12 LYS N N 12 123.229 123.229 121.346 1.883 25142 5021 1 14 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.443 -0.189 25142 5022 1 14 . 1 1 12 12 LYS C C 12 176.124 176.124 177.311 -1.187 25142 5023 1 14 . 1 1 12 12 LYS CA C 12 56.631 56.631 55.995 0.636 25142 5024 1 14 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.106 0.058 25142 5025 1 14 . 1 1 12 12 LYS H H 12 8.357 8.357 8.396 -0.039 25142 5026 1 14 . 1 1 13 13 ARG N N 13 123.166 123.166 120.356 2.810 25142 5027 1 14 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.145 0.172 25142 5028 1 14 . 1 1 13 13 ARG C C 13 175.831 175.831 176.593 -0.762 25142 5029 1 14 . 1 1 13 13 ARG CA C 13 56.210 56.210 58.094 -1.884 25142 5030 1 14 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.228 -0.155 25142 5031 1 14 . 1 1 13 13 ARG H H 13 8.439 8.439 8.634 -0.195 25142 5032 1 14 . 1 1 14 14 CYS N N 14 123.412 123.412 116.897 6.515 25142 5033 1 14 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.914 -0.300 25142 5034 1 14 . 1 1 14 14 CYS CA C 14 56.771 56.771 56.727 0.044 25142 5035 1 14 . 1 1 14 14 CYS H H 14 8.542 8.542 8.038 0.504 25142 5036 1 14 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.386 -0.053 25142 5037 1 14 . 1 1 15 15 PRO C C 15 175.713 175.713 176.044 -0.331 25142 5038 1 14 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.391 0.407 25142 5039 1 14 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.905 0.135 25142 5040 1 14 . 1 1 16 16 TYR N N 16 116.961 116.961 119.589 -2.628 25142 5041 1 14 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.549 0.376 25142 5042 1 14 . 1 1 16 16 TYR C C 16 176.803 176.803 175.873 0.930 25142 5043 1 14 . 1 1 16 16 TYR CA C 16 56.583 56.583 59.097 -2.514 25142 5044 1 14 . 1 1 16 16 TYR CB C 16 40.045 40.045 37.749 2.296 25142 5045 1 14 . 1 1 16 16 TYR H H 16 7.539 7.539 8.002 -0.463 25142 5046 1 14 . 1 1 17 17 THR N N 17 115.107 115.107 118.980 -3.873 25142 5047 1 14 . 1 1 17 17 THR HA H 17 4.469 4.469 4.683 -0.214 25142 5048 1 14 . 1 1 17 17 THR C C 17 175.593 175.593 175.707 -0.114 25142 5049 1 14 . 1 1 17 17 THR CA C 17 60.987 60.987 59.801 1.186 25142 5050 1 14 . 1 1 17 17 THR CB C 17 71.240 71.240 70.618 0.622 25142 5051 1 14 . 1 1 17 17 THR H H 17 9.305 9.305 8.467 0.838 25142 5052 1 14 . 1 1 18 18 LYS N N 18 123.297 123.297 120.376 2.921 25142 5053 1 14 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.030 0.061 25142 5054 1 14 . 1 1 18 18 LYS C C 18 178.363 178.363 178.605 -0.242 25142 5055 1 14 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.621 0.383 25142 5056 1 14 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.381 -0.341 25142 5057 1 14 . 1 1 18 18 LYS H H 18 8.990 8.990 8.930 0.060 25142 5058 1 14 . 1 1 19 19 TYR N N 19 118.372 118.372 119.771 -1.399 25142 5059 1 14 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.072 0.099 25142 5060 1 14 . 1 1 19 19 TYR C C 19 176.959 176.959 177.286 -0.327 25142 5061 1 14 . 1 1 19 19 TYR CA C 19 61.409 61.409 61.868 -0.459 25142 5062 1 14 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.479 0.323 25142 5063 1 14 . 1 1 19 19 TYR H H 19 8.334 8.334 7.838 0.496 25142 5064 1 14 . 1 1 20 20 GLN N N 20 116.238 116.238 117.661 -1.423 25142 5065 1 14 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.854 -0.318 25142 5066 1 14 . 1 1 20 20 GLN C C 20 177.491 177.491 178.013 -0.522 25142 5067 1 14 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.379 -0.078 25142 5068 1 14 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.200 -0.095 25142 5069 1 14 . 1 1 20 20 GLN H H 20 7.771 7.771 8.366 -0.595 25142 5070 1 14 . 1 1 21 21 THR N N 21 112.943 112.943 114.685 -1.742 25142 5071 1 14 . 1 1 21 21 THR HA H 21 3.401 3.401 4.094 -0.693 25142 5072 1 14 . 1 1 21 21 THR C C 21 175.530 175.530 176.530 -1.000 25142 5073 1 14 . 1 1 21 21 THR CA C 21 67.451 67.451 65.836 1.615 25142 5074 1 14 . 1 1 21 21 THR CB C 21 68.856 68.856 68.760 0.096 25142 5075 1 14 . 1 1 21 21 THR H H 21 8.468 8.468 7.833 0.635 25142 5076 1 14 . 1 1 22 22 LEU N N 22 121.513 121.513 120.784 0.729 25142 5077 1 14 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.581 -0.602 25142 5078 1 14 . 1 1 22 22 LEU C C 22 180.452 180.452 178.077 2.375 25142 5079 1 14 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.682 0.354 25142 5080 1 14 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.604 0.273 25142 5081 1 14 . 1 1 22 22 LEU H H 22 8.054 8.054 7.492 0.562 25142 5082 1 14 . 1 1 23 23 GLU N N 23 118.464 118.464 118.665 -0.201 25142 5083 1 14 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.112 -0.276 25142 5084 1 14 . 1 1 23 23 GLU C C 23 179.824 179.824 179.087 0.737 25142 5085 1 14 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.616 -0.018 25142 5086 1 14 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.510 1.422 25142 5087 1 14 . 1 1 23 23 GLU H H 23 7.732 7.732 7.693 0.039 25142 5088 1 14 . 1 1 24 24 LEU N N 24 124.210 124.210 118.698 5.512 25142 5089 1 14 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.534 -1.022 25142 5090 1 14 . 1 1 24 24 LEU C C 24 177.592 177.592 178.573 -0.981 25142 5091 1 14 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.316 1.141 25142 5092 1 14 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.102 -4.582 25142 5093 1 14 . 1 1 24 24 LEU H H 24 8.335 8.335 8.088 0.247 25142 5094 1 14 . 1 1 25 25 GLU N N 25 119.137 119.137 117.020 2.117 25142 5095 1 14 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.205 0.042 25142 5096 1 14 . 1 1 25 25 GLU C C 25 179.021 179.021 178.870 0.151 25142 5097 1 14 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.585 1.418 25142 5098 1 14 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.323 -0.655 25142 5099 1 14 . 1 1 25 25 GLU H H 25 7.912 7.912 8.025 -0.113 25142 5100 1 14 . 1 1 26 26 LYS N N 26 118.579 118.579 120.049 -1.470 25142 5101 1 14 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.261 -0.344 25142 5102 1 14 . 1 1 26 26 LYS C C 26 179.351 179.351 178.725 0.626 25142 5103 1 14 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.548 1.455 25142 5104 1 14 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.263 0.339 25142 5105 1 14 . 1 1 26 26 LYS H H 26 7.537 7.537 7.429 0.108 25142 5106 1 14 . 1 1 27 27 GLU N N 27 120.048 120.048 120.107 -0.059 25142 5107 1 14 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.049 0.096 25142 5108 1 14 . 1 1 27 27 GLU C C 27 178.189 178.189 178.359 -0.170 25142 5109 1 14 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.710 0.310 25142 5110 1 14 . 1 1 27 27 GLU CB C 27 28.527 28.527 28.992 -0.465 25142 5111 1 14 . 1 1 27 27 GLU H H 27 7.849 7.849 7.787 0.062 25142 5112 1 14 . 1 1 28 28 PHE N N 28 122.074 122.074 121.407 0.667 25142 5113 1 14 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.300 0.058 25142 5114 1 14 . 1 1 28 28 PHE C C 28 176.148 176.148 177.533 -1.385 25142 5115 1 14 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.760 1.070 25142 5116 1 14 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.063 0.284 25142 5117 1 14 . 1 1 28 28 PHE H H 28 8.893 8.893 7.622 1.271 25142 5118 1 14 . 1 1 29 29 LEU N N 29 115.649 115.649 119.928 -4.279 25142 5119 1 14 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.881 0.082 25142 5120 1 14 . 1 1 29 29 LEU C C 29 179.362 179.362 178.192 1.170 25142 5121 1 14 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.548 -1.198 25142 5122 1 14 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.259 0.497 25142 5123 1 14 . 1 1 29 29 LEU H H 29 7.919 7.919 7.985 -0.066 25142 5124 1 14 . 1 1 30 30 PHE N N 30 119.314 119.314 119.012 0.302 25142 5125 1 14 . 1 1 30 30 PHE HA H 30 4.445 4.445 3.960 0.485 25142 5126 1 14 . 1 1 30 30 PHE C C 30 176.451 176.451 176.659 -0.208 25142 5127 1 14 . 1 1 30 30 PHE CA C 30 59.582 59.582 60.695 -1.113 25142 5128 1 14 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.851 0.777 25142 5129 1 14 . 1 1 30 30 PHE H H 30 7.584 7.584 8.487 -0.903 25142 5130 1 14 . 1 1 31 31 ASN N N 31 116.457 116.457 118.177 -1.720 25142 5131 1 14 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.146 0.446 25142 5132 1 14 . 1 1 31 31 ASN C C 31 173.302 173.302 176.428 -3.126 25142 5133 1 14 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.498 -1.537 25142 5134 1 14 . 1 1 31 31 ASN CB C 31 39.347 39.347 37.696 1.651 25142 5135 1 14 . 1 1 31 31 ASN H H 31 8.375 8.375 7.756 0.619 25142 5136 1 14 . 1 1 32 32 MET N N 32 121.247 121.247 115.246 6.001 25142 5137 1 14 . 1 1 32 32 MET HA H 32 3.761 3.761 4.324 -0.563 25142 5138 1 14 . 1 1 32 32 MET C C 32 174.112 174.112 176.349 -2.237 25142 5139 1 14 . 1 1 32 32 MET CA C 32 57.474 57.474 58.029 -0.555 25142 5140 1 14 . 1 1 32 32 MET CB C 32 33.586 33.586 34.378 -0.792 25142 5141 1 14 . 1 1 32 32 MET H H 32 8.185 8.185 7.367 0.818 25142 5142 1 14 . 1 1 33 33 TYR N N 33 115.333 115.333 116.324 -0.991 25142 5143 1 14 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.398 0.279 25142 5144 1 14 . 1 1 33 33 TYR C C 33 175.017 175.017 173.981 1.036 25142 5145 1 14 . 1 1 33 33 TYR CA C 33 57.193 57.193 58.253 -1.060 25142 5146 1 14 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.979 -0.789 25142 5147 1 14 . 1 1 33 33 TYR H H 33 7.758 7.758 7.602 0.156 25142 5148 1 14 . 1 1 34 34 LEU N N 34 122.393 122.393 125.294 -2.901 25142 5149 1 14 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.860 -0.268 25142 5150 1 14 . 1 1 34 34 LEU C C 34 178.373 178.373 175.272 3.101 25142 5151 1 14 . 1 1 34 34 LEU CA C 34 53.961 53.961 53.748 0.213 25142 5152 1 14 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.551 -1.707 25142 5153 1 14 . 1 1 34 34 LEU H H 34 8.293 8.293 8.088 0.205 25142 5154 1 14 . 1 1 35 35 THR N N 35 113.078 113.078 116.257 -3.179 25142 5155 1 14 . 1 1 35 35 THR HA H 35 4.445 4.445 4.771 -0.326 25142 5156 1 14 . 1 1 35 35 THR C C 35 175.115 175.115 175.621 -0.506 25142 5157 1 14 . 1 1 35 35 THR CA C 35 59.582 59.582 60.176 -0.594 25142 5158 1 14 . 1 1 35 35 THR CB C 35 70.823 70.823 70.856 -0.034 25142 5159 1 14 . 1 1 35 35 THR H H 35 7.729 7.729 8.152 -0.423 25142 5160 1 14 . 1 1 36 36 ARG N N 36 122.118 122.118 121.128 0.990 25142 5161 1 14 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.218 -0.389 25142 5162 1 14 . 1 1 36 36 ARG C C 36 178.596 178.596 178.166 0.430 25142 5163 1 14 . 1 1 36 36 ARG CA C 36 60.144 60.144 58.801 1.343 25142 5164 1 14 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.233 -1.144 25142 5165 1 14 . 1 1 36 36 ARG H H 36 8.951 8.951 8.935 0.016 25142 5166 1 14 . 1 1 37 37 ASP N N 37 116.410 116.410 119.881 -3.471 25142 5167 1 14 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.383 0.043 25142 5168 1 14 . 1 1 37 37 ASP C C 37 178.603 178.603 178.404 0.199 25142 5169 1 14 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.447 0.308 25142 5170 1 14 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.706 -0.516 25142 5171 1 14 . 1 1 37 37 ASP H H 37 8.454 8.454 7.849 0.605 25142 5172 1 14 . 1 1 38 38 ARG N N 38 121.073 121.073 120.168 0.905 25142 5173 1 14 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.485 -0.268 25142 5174 1 14 . 1 1 38 38 ARG C C 38 177.751 177.751 178.407 -0.656 25142 5175 1 14 . 1 1 38 38 ARG CA C 38 57.614 57.614 57.996 -0.382 25142 5176 1 14 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.193 -0.261 25142 5177 1 14 . 1 1 38 38 ARG H H 38 7.795 7.795 7.550 0.245 25142 5178 1 14 . 1 1 39 39 ARG N N 39 119.603 119.603 118.783 0.820 25142 5179 1 14 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.034 -0.360 25142 5180 1 14 . 1 1 39 39 ARG C C 39 177.405 177.405 179.234 -1.829 25142 5181 1 14 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.510 0.776 25142 5182 1 14 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.053 0.020 25142 5183 1 14 . 1 1 39 39 ARG H H 39 8.650 8.650 7.581 1.069 25142 5184 1 14 . 1 1 40 40 TYR N N 40 116.995 116.995 121.126 -4.131 25142 5185 1 14 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.214 -0.143 25142 5186 1 14 . 1 1 40 40 TYR C C 40 177.632 177.632 176.880 0.752 25142 5187 1 14 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.911 1.481 25142 5188 1 14 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.750 -0.949 25142 5189 1 14 . 1 1 40 40 TYR H H 40 7.893 7.893 8.391 -0.498 25142 5190 1 14 . 1 1 41 41 GLU N N 41 120.324 120.324 118.720 1.604 25142 5191 1 14 . 1 1 41 41 GLU HA H 41 4.139 4.139 4.021 0.118 25142 5192 1 14 . 1 1 41 41 GLU C C 41 178.263 178.263 179.153 -0.890 25142 5193 1 14 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.497 -1.461 25142 5194 1 14 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.419 0.654 25142 5195 1 14 . 1 1 41 41 GLU H H 41 7.687 7.687 7.918 -0.231 25142 5196 1 14 . 1 1 42 42 VAL N N 42 120.030 120.030 114.310 5.720 25142 5197 1 14 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.236 -0.715 25142 5198 1 14 . 1 1 42 42 VAL C C 42 177.248 177.248 177.353 -0.105 25142 5199 1 14 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.572 1.614 25142 5200 1 14 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.724 0.878 25142 5201 1 14 . 1 1 42 42 VAL H H 42 8.675 8.675 8.208 0.467 25142 5202 1 14 . 1 1 43 43 ALA N N 43 119.887 119.887 122.410 -2.523 25142 5203 1 14 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.117 -0.549 25142 5204 1 14 . 1 1 43 43 ALA C C 43 179.037 179.037 179.233 -0.196 25142 5205 1 14 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.440 1.629 25142 5206 1 14 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.565 -1.139 25142 5207 1 14 . 1 1 43 43 ALA H H 43 8.026 8.026 7.688 0.338 25142 5208 1 14 . 1 1 44 44 ARG N N 44 116.238 116.238 117.535 -1.297 25142 5209 1 14 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.183 -0.182 25142 5210 1 14 . 1 1 44 44 ARG C C 44 180.290 180.290 178.434 1.856 25142 5211 1 14 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.870 0.431 25142 5212 1 14 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.917 -0.844 25142 5213 1 14 . 1 1 44 44 ARG H H 44 7.771 7.771 7.625 0.146 25142 5214 1 14 . 1 1 45 45 VAL N N 45 118.391 118.391 114.550 3.841 25142 5215 1 14 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.116 -0.306 25142 5216 1 14 . 1 1 45 45 VAL C C 45 177.986 177.986 176.979 1.007 25142 5217 1 14 . 1 1 45 45 VAL CA C 45 65.203 65.203 65.237 -0.034 25142 5218 1 14 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.337 0.265 25142 5219 1 14 . 1 1 45 45 VAL H H 45 8.250 8.250 7.644 0.607 25142 5220 1 14 . 1 1 46 46 LEU N N 46 116.008 116.008 119.522 -3.514 25142 5221 1 14 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.413 0.094 25142 5222 1 14 . 1 1 46 46 LEU C C 46 176.657 176.657 176.154 0.503 25142 5223 1 14 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.327 0.337 25142 5224 1 14 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.001 0.174 25142 5225 1 14 . 1 1 46 46 LEU H H 46 7.896 7.896 7.520 0.376 25142 5226 1 14 . 1 1 47 47 ASN N N 47 117.881 117.881 113.337 4.544 25142 5227 1 14 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.397 0.044 25142 5228 1 14 . 1 1 47 47 ASN C C 47 173.788 173.788 174.504 -0.716 25142 5229 1 14 . 1 1 47 47 ASN CA C 47 54.804 54.804 53.942 0.862 25142 5230 1 14 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.569 0.249 25142 5231 1 14 . 1 1 47 47 ASN H H 47 7.992 7.992 8.155 -0.163 25142 5232 1 14 . 1 1 48 48 LEU N N 48 119.211 119.211 116.649 2.562 25142 5233 1 14 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.531 0.346 25142 5234 1 14 . 1 1 48 48 LEU C C 48 176.505 176.505 176.103 0.402 25142 5235 1 14 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.812 0.020 25142 5236 1 14 . 1 1 48 48 LEU CB C 48 47.919 47.919 43.887 4.032 25142 5237 1 14 . 1 1 48 48 LEU H H 48 8.517 8.517 7.734 0.783 25142 5238 1 14 . 1 1 49 49 THR N N 49 109.223 109.223 113.470 -4.247 25142 5239 1 14 . 1 1 49 49 THR HA H 49 4.648 4.648 4.444 0.204 25142 5240 1 14 . 1 1 49 49 THR C C 49 176.663 176.663 175.052 1.611 25142 5241 1 14 . 1 1 49 49 THR CA C 49 60.566 60.566 60.740 -0.174 25142 5242 1 14 . 1 1 49 49 THR CB C 49 70.824 70.824 70.661 0.163 25142 5243 1 14 . 1 1 49 49 THR H H 49 8.694 8.694 8.209 0.485 25142 5244 1 14 . 1 1 50 50 GLU N N 50 121.200 121.200 123.624 -2.424 25142 5245 1 14 . 1 1 50 50 GLU HA H 50 3.653 3.653 3.916 -0.263 25142 5246 1 14 . 1 1 50 50 GLU C C 50 178.500 178.500 179.279 -0.779 25142 5247 1 14 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.287 0.700 25142 5248 1 14 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.495 0.437 25142 5249 1 14 . 1 1 50 50 GLU H H 50 9.184 9.184 8.810 0.374 25142 5250 1 14 . 1 1 51 51 ARG N N 51 119.168 119.168 119.411 -0.243 25142 5251 1 14 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.164 -0.161 25142 5252 1 14 . 1 1 51 51 ARG C C 51 177.979 177.979 178.448 -0.469 25142 5253 1 14 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.724 0.577 25142 5254 1 14 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.833 0.240 25142 5255 1 14 . 1 1 51 51 ARG H H 51 8.220 8.220 8.569 -0.349 25142 5256 1 14 . 1 1 52 52 GLN N N 52 117.548 117.548 118.355 -0.807 25142 5257 1 14 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.194 -0.105 25142 5258 1 14 . 1 1 52 52 GLN C C 52 180.689 180.689 177.959 2.730 25142 5259 1 14 . 1 1 52 52 GLN CA C 52 59.863 59.863 58.990 0.872 25142 5260 1 14 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.074 2.139 25142 5261 1 14 . 1 1 52 52 GLN H H 52 8.029 8.029 8.564 -0.535 25142 5262 1 14 . 1 1 53 53 VAL N N 53 121.408 121.408 119.310 2.098 25142 5263 1 14 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.638 0.175 25142 5264 1 14 . 1 1 53 53 VAL C C 53 176.662 176.662 177.743 -1.081 25142 5265 1 14 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.836 1.318 25142 5266 1 14 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.592 1.010 25142 5267 1 14 . 1 1 53 53 VAL H H 53 8.004 8.004 7.389 0.615 25142 5268 1 14 . 1 1 54 54 LYS N N 54 121.266 121.266 119.515 1.751 25142 5269 1 14 . 1 1 54 54 LYS HA H 54 4.247 4.247 3.723 0.524 25142 5270 1 14 . 1 1 54 54 LYS C C 54 179.996 179.996 179.332 0.664 25142 5271 1 14 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.507 0.497 25142 5272 1 14 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.088 0.514 25142 5273 1 14 . 1 1 54 54 LYS H H 54 8.527 8.527 7.461 1.066 25142 5274 1 14 . 1 1 55 55 ILE N N 55 119.453 119.453 119.305 0.148 25142 5275 1 14 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.678 0.182 25142 5276 1 14 . 1 1 55 55 ILE C C 55 177.548 177.548 177.514 0.034 25142 5277 1 14 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.220 -1.282 25142 5278 1 14 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.667 0.556 25142 5279 1 14 . 1 1 55 55 ILE H H 55 8.748 8.748 8.071 0.677 25142 5280 1 14 . 1 1 56 56 TRP N N 56 122.220 122.220 120.604 1.616 25142 5281 1 14 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.276 -0.369 25142 5282 1 14 . 1 1 56 56 TRP C C 56 180.094 180.094 178.037 2.057 25142 5283 1 14 . 1 1 56 56 TRP CA C 56 63.938 63.938 60.593 3.345 25142 5284 1 14 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.787 -0.417 25142 5285 1 14 . 1 1 56 56 TRP H H 56 8.076 8.076 8.056 0.020 25142 5286 1 14 . 1 1 57 57 PHE N N 57 119.464 119.464 120.020 -0.556 25142 5287 1 14 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.068 -0.208 25142 5288 1 14 . 1 1 57 57 PHE C C 57 177.749 177.749 177.064 0.685 25142 5289 1 14 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.138 2.800 25142 5290 1 14 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.248 0.380 25142 5291 1 14 . 1 1 57 57 PHE H H 57 8.859 8.859 7.591 1.268 25142 5292 1 14 . 1 1 58 58 GLN N N 58 118.649 118.649 119.090 -0.441 25142 5293 1 14 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.850 0.153 25142 5294 1 14 . 1 1 58 58 GLN C C 58 178.888 178.888 178.294 0.594 25142 5295 1 14 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.430 -0.129 25142 5296 1 14 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.493 0.174 25142 5297 1 14 . 1 1 58 58 GLN H H 58 8.240 8.240 8.300 -0.060 25142 5298 1 14 . 1 1 59 59 ASN N N 59 118.104 118.104 117.761 0.343 25142 5299 1 14 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.278 0.039 25142 5300 1 14 . 1 1 59 59 ASN C C 59 177.504 177.504 177.398 0.106 25142 5301 1 14 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.430 -0.220 25142 5302 1 14 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.127 -0.326 25142 5303 1 14 . 1 1 59 59 ASN H H 59 8.320 8.320 7.861 0.459 25142 5304 1 14 . 1 1 60 60 ARG N N 60 122.957 122.957 119.112 3.845 25142 5305 1 14 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.849 -0.453 25142 5306 1 14 . 1 1 60 60 ARG C C 60 179.229 179.229 177.918 1.311 25142 5307 1 14 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.522 -1.891 25142 5308 1 14 . 1 1 60 60 ARG CB C 60 28.387 28.387 30.001 -1.614 25142 5309 1 14 . 1 1 60 60 ARG H H 60 8.113 8.113 7.396 0.717 25142 5310 1 14 . 1 1 61 61 ARG N N 61 117.860 117.860 119.304 -1.444 25142 5311 1 14 . 1 1 61 61 ARG HA H 61 4.089 4.089 3.960 0.129 25142 5312 1 14 . 1 1 61 61 ARG C C 61 178.883 178.883 178.298 0.585 25142 5313 1 14 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.231 1.632 25142 5314 1 14 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.519 0.396 25142 5315 1 14 . 1 1 61 61 ARG H H 61 7.902 7.902 7.476 0.426 25142 5316 1 14 . 1 1 62 62 MET N N 62 117.859 117.859 117.187 0.672 25142 5317 1 14 . 1 1 62 62 MET HA H 62 4.263 4.263 4.209 0.054 25142 5318 1 14 . 1 1 62 62 MET C C 62 177.644 177.644 177.881 -0.237 25142 5319 1 14 . 1 1 62 62 MET CA C 62 57.474 57.474 58.739 -1.266 25142 5320 1 14 . 1 1 62 62 MET CB C 62 30.494 30.494 32.433 -1.939 25142 5321 1 14 . 1 1 62 62 MET H H 62 7.535 7.535 8.183 -0.648 25142 5322 1 14 . 1 1 63 63 LYS N N 63 118.415 118.415 118.918 -0.503 25142 5323 1 14 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.961 0.171 25142 5324 1 14 . 1 1 63 63 LYS C C 63 177.090 177.090 178.510 -1.420 25142 5325 1 14 . 1 1 63 63 LYS CA C 63 57.615 57.615 59.159 -1.544 25142 5326 1 14 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.892 1.132 25142 5327 1 14 . 1 1 63 63 LYS H H 63 7.426 7.426 8.249 -0.823 25142 5328 1 14 . 1 1 64 64 MET N N 64 117.987 117.987 117.484 0.503 25142 5329 1 14 . 1 1 64 64 MET HA H 64 4.271 4.271 4.332 -0.061 25142 5330 1 14 . 1 1 64 64 MET C C 64 176.223 176.223 177.697 -1.474 25142 5331 1 14 . 1 1 64 64 MET CA C 64 57.632 57.632 57.770 -0.138 25142 5332 1 14 . 1 1 64 64 MET H H 64 7.538 7.538 7.402 0.136 25142 5333 1 14 . 1 1 65 65 LYS N N 65 120.643 120.643 118.415 2.228 25142 5334 1 14 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.207 0.092 25142 5335 1 14 . 1 1 65 65 LYS C C 65 175.950 175.950 177.654 -1.704 25142 5336 1 14 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.677 -0.045 25142 5337 1 14 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.546 0.478 25142 5338 1 14 . 1 1 65 65 LYS H H 65 7.930 7.930 7.532 0.398 25142 5339 1 14 . 1 1 66 66 LYS N N 66 122.089 122.089 116.958 5.131 25142 5340 1 14 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.438 -0.167 25142 5341 1 14 . 1 1 66 66 LYS C C 66 176.302 176.302 176.558 -0.256 25142 5342 1 14 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.020 1.471 25142 5343 1 14 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.531 -0.911 25142 5344 1 14 . 1 1 66 66 LYS H H 66 8.172 8.172 7.625 0.547 25142 5345 1 14 . 1 1 67 67 MET N N 67 119.918 119.918 114.879 5.039 25142 5346 1 14 . 1 1 67 67 MET HA H 67 4.765 4.765 3.992 0.773 25142 5347 1 14 . 1 1 67 67 MET C C 67 175.047 175.047 175.725 -0.678 25142 5348 1 14 . 1 1 67 67 MET H H 67 8.056 8.056 7.788 0.268 25142 5349 1 15 . 1 1 2 2 ASN N N 2 125.670 125.670 120.617 5.053 25142 5350 1 15 . 1 1 2 2 ASN HA H 2 4.137 4.137 5.199 -1.062 25142 5351 1 15 . 1 1 2 2 ASN C C 2 170.976 170.976 175.928 -4.952 25142 5352 1 15 . 1 1 2 2 ASN CA C 2 53.812 53.812 51.687 2.125 25142 5353 1 15 . 1 1 2 2 ASN CB C 2 38.888 38.888 40.222 -1.334 25142 5354 1 15 . 1 1 2 2 ASN H H 2 7.926 7.926 8.244 -0.318 25142 5355 1 15 . 1 1 3 3 TRP N N 3 122.562 122.562 119.411 3.151 25142 5356 1 15 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.496 0.266 25142 5357 1 15 . 1 1 3 3 TRP C C 3 176.062 176.062 176.156 -0.094 25142 5358 1 15 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.642 -0.672 25142 5359 1 15 . 1 1 3 3 TRP CB C 3 29.629 29.629 28.853 0.776 25142 5360 1 15 . 1 1 3 3 TRP H H 3 7.920 7.920 8.764 -0.844 25142 5361 1 15 . 1 1 4 4 ILE N N 4 122.339 122.339 113.423 8.916 25142 5362 1 15 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.648 0.523 25142 5363 1 15 . 1 1 4 4 ILE C C 4 175.825 175.825 175.521 0.304 25142 5364 1 15 . 1 1 4 4 ILE CA C 4 61.409 61.409 61.497 -0.088 25142 5365 1 15 . 1 1 4 4 ILE CB C 4 38.645 38.645 36.180 2.465 25142 5366 1 15 . 1 1 4 4 ILE H H 4 7.893 7.893 6.780 1.113 25142 5367 1 15 . 1 1 5 5 HIS N N 5 122.699 122.699 115.252 7.447 25142 5368 1 15 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.235 0.293 25142 5369 1 15 . 1 1 5 5 HIS C C 5 175.039 175.039 174.250 0.789 25142 5370 1 15 . 1 1 5 5 HIS CA C 5 56.069 56.069 57.547 -1.478 25142 5371 1 15 . 1 1 5 5 HIS CB C 5 30.634 30.634 27.236 3.398 25142 5372 1 15 . 1 1 5 5 HIS H H 5 8.015 8.015 7.487 0.528 25142 5373 1 15 . 1 1 6 6 ALA N N 6 125.335 125.335 120.365 4.970 25142 5374 1 15 . 1 1 6 6 ALA HA H 6 4.268 4.268 3.954 0.314 25142 5375 1 15 . 1 1 6 6 ALA C C 6 177.735 177.735 176.676 1.059 25142 5376 1 15 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.695 0.002 25142 5377 1 15 . 1 1 6 6 ALA CB C 6 19.253 19.253 19.427 -0.174 25142 5378 1 15 . 1 1 6 6 ALA H H 6 8.183 8.183 7.976 0.207 25142 5379 1 15 . 1 1 7 7 ARG N N 7 120.137 120.137 121.631 -1.494 25142 5380 1 15 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.540 -0.249 25142 5381 1 15 . 1 1 7 7 ARG C C 7 176.556 176.556 175.445 1.111 25142 5382 1 15 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.769 0.457 25142 5383 1 15 . 1 1 7 7 ARG CB C 7 30.933 30.933 29.185 1.748 25142 5384 1 15 . 1 1 7 7 ARG H H 7 8.399 8.399 8.433 -0.034 25142 5385 1 15 . 1 1 9 9 THR N N 9 115.696 115.696 114.782 0.914 25142 5386 1 15 . 1 1 9 9 THR HA H 9 4.311 4.311 4.307 0.004 25142 5387 1 15 . 1 1 9 9 THR C C 9 174.493 174.493 173.818 0.675 25142 5388 1 15 . 1 1 9 9 THR CA C 9 61.970 61.970 62.694 -0.724 25142 5389 1 15 . 1 1 9 9 THR CB C 9 69.840 69.840 69.468 0.372 25142 5390 1 15 . 1 1 9 9 THR H H 9 8.081 8.081 8.395 -0.314 25142 5391 1 15 . 1 1 10 10 ARG N N 10 123.599 123.599 123.402 0.197 25142 5392 1 15 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.221 0.092 25142 5393 1 15 . 1 1 10 10 ARG C C 10 176.173 176.173 175.858 0.315 25142 5394 1 15 . 1 1 10 10 ARG CA C 10 56.227 56.227 57.247 -1.020 25142 5395 1 15 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.132 0.801 25142 5396 1 15 . 1 1 10 10 ARG H H 10 8.275 8.275 7.938 0.337 25142 5397 1 15 . 1 1 11 11 LYS N N 11 123.132 123.132 124.974 -1.842 25142 5398 1 15 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.091 0.207 25142 5399 1 15 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.900 -0.252 25142 5400 1 15 . 1 1 11 11 LYS CB C 11 33.181 33.181 31.819 1.362 25142 5401 1 15 . 1 1 11 11 LYS H H 11 8.334 8.334 8.633 -0.299 25142 5402 1 15 . 1 1 12 12 LYS N N 12 123.229 123.229 125.618 -2.389 25142 5403 1 15 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.406 -0.152 25142 5404 1 15 . 1 1 12 12 LYS C C 12 176.124 176.124 176.794 -0.670 25142 5405 1 15 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.320 0.311 25142 5406 1 15 . 1 1 12 12 LYS CB C 12 33.164 33.164 32.364 0.800 25142 5407 1 15 . 1 1 12 12 LYS H H 12 8.357 8.357 8.575 -0.218 25142 5408 1 15 . 1 1 13 13 ARG N N 13 123.166 123.166 122.648 0.518 25142 5409 1 15 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.217 0.100 25142 5410 1 15 . 1 1 13 13 ARG C C 13 175.831 175.831 176.468 -0.637 25142 5411 1 15 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.906 -1.696 25142 5412 1 15 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.689 -0.616 25142 5413 1 15 . 1 1 13 13 ARG H H 13 8.439 8.439 8.685 -0.246 25142 5414 1 15 . 1 1 14 14 CYS N N 14 123.412 123.412 118.429 4.983 25142 5415 1 15 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.817 -0.203 25142 5416 1 15 . 1 1 14 14 CYS CA C 14 56.771 56.771 56.306 0.465 25142 5417 1 15 . 1 1 14 14 CYS H H 14 8.542 8.542 8.276 0.266 25142 5418 1 15 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.233 0.100 25142 5419 1 15 . 1 1 15 15 PRO C C 15 175.713 175.713 176.095 -0.382 25142 5420 1 15 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.797 0.001 25142 5421 1 15 . 1 1 15 15 PRO CB C 15 32.040 32.040 32.163 -0.123 25142 5422 1 15 . 1 1 16 16 TYR N N 16 116.961 116.961 117.722 -0.761 25142 5423 1 15 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.652 0.273 25142 5424 1 15 . 1 1 16 16 TYR C C 16 176.803 176.803 175.231 1.572 25142 5425 1 15 . 1 1 16 16 TYR CA C 16 56.583 56.583 57.555 -0.972 25142 5426 1 15 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.594 1.451 25142 5427 1 15 . 1 1 16 16 TYR H H 16 7.539 7.539 8.130 -0.591 25142 5428 1 15 . 1 1 17 17 THR N N 17 115.107 115.107 116.254 -1.147 25142 5429 1 15 . 1 1 17 17 THR HA H 17 4.469 4.469 4.694 -0.225 25142 5430 1 15 . 1 1 17 17 THR C C 17 175.593 175.593 175.462 0.131 25142 5431 1 15 . 1 1 17 17 THR CA C 17 60.987 60.987 59.309 1.678 25142 5432 1 15 . 1 1 17 17 THR CB C 17 71.240 71.240 70.522 0.718 25142 5433 1 15 . 1 1 17 17 THR H H 17 9.305 9.305 8.310 0.995 25142 5434 1 15 . 1 1 18 18 LYS N N 18 123.297 123.297 120.654 2.643 25142 5435 1 15 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.263 -0.172 25142 5436 1 15 . 1 1 18 18 LYS C C 18 178.363 178.363 177.983 0.380 25142 5437 1 15 . 1 1 18 18 LYS CA C 18 60.004 60.004 58.702 1.302 25142 5438 1 15 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.347 -0.307 25142 5439 1 15 . 1 1 18 18 LYS H H 18 8.990 8.990 8.739 0.251 25142 5440 1 15 . 1 1 19 19 TYR N N 19 118.372 118.372 120.794 -2.422 25142 5441 1 15 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.106 0.065 25142 5442 1 15 . 1 1 19 19 TYR C C 19 176.959 176.959 176.474 0.485 25142 5443 1 15 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.329 -0.920 25142 5444 1 15 . 1 1 19 19 TYR CB C 19 38.802 38.802 39.063 -0.261 25142 5445 1 15 . 1 1 19 19 TYR H H 19 8.334 8.334 7.631 0.703 25142 5446 1 15 . 1 1 20 20 GLN N N 20 116.238 116.238 117.506 -1.268 25142 5447 1 15 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.911 -0.375 25142 5448 1 15 . 1 1 20 20 GLN C C 20 177.491 177.491 177.395 0.096 25142 5449 1 15 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.054 0.247 25142 5450 1 15 . 1 1 20 20 GLN CB C 20 28.105 28.105 27.384 0.721 25142 5451 1 15 . 1 1 20 20 GLN H H 20 7.771 7.771 8.515 -0.744 25142 5452 1 15 . 1 1 21 21 THR N N 21 112.943 112.943 114.389 -1.446 25142 5453 1 15 . 1 1 21 21 THR HA H 21 3.401 3.401 4.216 -0.815 25142 5454 1 15 . 1 1 21 21 THR C C 21 175.530 175.530 176.447 -0.917 25142 5455 1 15 . 1 1 21 21 THR CA C 21 67.451 67.451 64.308 3.143 25142 5456 1 15 . 1 1 21 21 THR CB C 21 68.856 68.856 68.779 0.077 25142 5457 1 15 . 1 1 21 21 THR H H 21 8.468 8.468 7.519 0.949 25142 5458 1 15 . 1 1 22 22 LEU N N 22 121.513 121.513 123.427 -1.914 25142 5459 1 15 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.452 -0.473 25142 5460 1 15 . 1 1 22 22 LEU C C 22 180.452 180.452 178.227 2.225 25142 5461 1 15 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.561 0.475 25142 5462 1 15 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.560 0.317 25142 5463 1 15 . 1 1 22 22 LEU H H 22 8.054 8.054 7.377 0.677 25142 5464 1 15 . 1 1 23 23 GLU N N 23 118.464 118.464 117.541 0.923 25142 5465 1 15 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.161 -0.325 25142 5466 1 15 . 1 1 23 23 GLU C C 23 179.824 179.824 179.212 0.612 25142 5467 1 15 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.442 0.156 25142 5468 1 15 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.597 1.335 25142 5469 1 15 . 1 1 23 23 GLU H H 23 7.732 7.732 7.830 -0.098 25142 5470 1 15 . 1 1 24 24 LEU N N 24 124.210 124.210 120.106 4.104 25142 5471 1 15 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.258 -0.746 25142 5472 1 15 . 1 1 24 24 LEU C C 24 177.592 177.592 178.747 -1.155 25142 5473 1 15 . 1 1 24 24 LEU CA C 24 58.458 58.458 58.104 0.354 25142 5474 1 15 . 1 1 24 24 LEU CB C 24 37.520 37.520 42.089 -4.569 25142 5475 1 15 . 1 1 24 24 LEU H H 24 8.335 8.335 7.773 0.562 25142 5476 1 15 . 1 1 25 25 GLU N N 25 119.137 119.137 118.394 0.743 25142 5477 1 15 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.110 0.137 25142 5478 1 15 . 1 1 25 25 GLU C C 25 179.021 179.021 178.394 0.627 25142 5479 1 15 . 1 1 25 25 GLU CA C 25 60.003 60.003 59.130 0.873 25142 5480 1 15 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.038 -0.370 25142 5481 1 15 . 1 1 25 25 GLU H H 25 7.912 7.912 8.192 -0.280 25142 5482 1 15 . 1 1 26 26 LYS N N 26 118.579 118.579 117.396 1.183 25142 5483 1 15 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.335 -0.418 25142 5484 1 15 . 1 1 26 26 LYS C C 26 179.351 179.351 178.241 1.110 25142 5485 1 15 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.206 1.797 25142 5486 1 15 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.740 -0.138 25142 5487 1 15 . 1 1 26 26 LYS H H 26 7.537 7.537 7.894 -0.357 25142 5488 1 15 . 1 1 27 27 GLU N N 27 120.048 120.048 120.231 -0.183 25142 5489 1 15 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.321 -0.176 25142 5490 1 15 . 1 1 27 27 GLU C C 27 178.189 178.189 177.412 0.777 25142 5491 1 15 . 1 1 27 27 GLU CA C 27 59.020 59.020 57.633 1.387 25142 5492 1 15 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.163 -0.636 25142 5493 1 15 . 1 1 27 27 GLU H H 27 7.849 7.849 7.462 0.387 25142 5494 1 15 . 1 1 28 28 PHE N N 28 122.074 122.074 119.359 2.715 25142 5495 1 15 . 1 1 28 28 PHE HA H 28 4.358 4.358 3.926 0.432 25142 5496 1 15 . 1 1 28 28 PHE C C 28 176.148 176.148 176.279 -0.131 25142 5497 1 15 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.582 1.248 25142 5498 1 15 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.382 -0.035 25142 5499 1 15 . 1 1 28 28 PHE H H 28 8.893 8.893 7.742 1.151 25142 5500 1 15 . 1 1 29 29 LEU N N 29 115.649 115.649 116.690 -1.041 25142 5501 1 15 . 1 1 29 29 LEU HA H 29 3.963 3.963 4.131 -0.168 25142 5502 1 15 . 1 1 29 29 LEU C C 29 179.362 179.362 177.578 1.784 25142 5503 1 15 . 1 1 29 29 LEU CA C 29 56.350 56.350 57.268 -0.918 25142 5504 1 15 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.775 -0.019 25142 5505 1 15 . 1 1 29 29 LEU H H 29 7.919 7.919 7.287 0.631 25142 5506 1 15 . 1 1 30 30 PHE N N 30 119.314 119.314 116.120 3.194 25142 5507 1 15 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.486 -0.041 25142 5508 1 15 . 1 1 30 30 PHE C C 30 176.451 176.451 176.438 0.013 25142 5509 1 15 . 1 1 30 30 PHE CA C 30 59.582 59.582 58.395 1.187 25142 5510 1 15 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.218 1.410 25142 5511 1 15 . 1 1 30 30 PHE H H 30 7.584 7.584 7.361 0.223 25142 5512 1 15 . 1 1 31 31 ASN N N 31 116.457 116.457 117.719 -1.262 25142 5513 1 15 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.358 0.234 25142 5514 1 15 . 1 1 31 31 ASN C C 31 173.302 173.302 175.824 -2.522 25142 5515 1 15 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.243 -1.282 25142 5516 1 15 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.381 0.966 25142 5517 1 15 . 1 1 31 31 ASN H H 31 8.375 8.375 7.841 0.534 25142 5518 1 15 . 1 1 32 32 MET N N 32 121.247 121.247 114.593 6.654 25142 5519 1 15 . 1 1 32 32 MET HA H 32 3.761 3.761 4.210 -0.449 25142 5520 1 15 . 1 1 32 32 MET C C 32 174.112 174.112 175.172 -1.060 25142 5521 1 15 . 1 1 32 32 MET CA C 32 57.474 57.474 57.264 0.210 25142 5522 1 15 . 1 1 32 32 MET CB C 32 33.586 33.586 33.221 0.365 25142 5523 1 15 . 1 1 32 32 MET H H 32 8.185 8.185 7.259 0.926 25142 5524 1 15 . 1 1 33 33 TYR N N 33 115.333 115.333 118.586 -3.253 25142 5525 1 15 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.690 -0.013 25142 5526 1 15 . 1 1 33 33 TYR C C 33 175.017 175.017 174.031 0.986 25142 5527 1 15 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.959 -0.766 25142 5528 1 15 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.028 0.162 25142 5529 1 15 . 1 1 33 33 TYR H H 33 7.758 7.758 7.951 -0.193 25142 5530 1 15 . 1 1 34 34 LEU N N 34 122.393 122.393 123.606 -1.213 25142 5531 1 15 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.653 -0.061 25142 5532 1 15 . 1 1 34 34 LEU C C 34 178.373 178.373 175.821 2.552 25142 5533 1 15 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.071 -0.110 25142 5534 1 15 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.621 -1.777 25142 5535 1 15 . 1 1 34 34 LEU H H 34 8.293 8.293 8.137 0.156 25142 5536 1 15 . 1 1 35 35 THR N N 35 113.078 113.078 115.562 -2.484 25142 5537 1 15 . 1 1 35 35 THR HA H 35 4.445 4.445 4.664 -0.219 25142 5538 1 15 . 1 1 35 35 THR C C 35 175.115 175.115 175.539 -0.424 25142 5539 1 15 . 1 1 35 35 THR CA C 35 59.582 59.582 60.107 -0.525 25142 5540 1 15 . 1 1 35 35 THR CB C 35 70.823 70.823 70.535 0.288 25142 5541 1 15 . 1 1 35 35 THR H H 35 7.729 7.729 7.973 -0.244 25142 5542 1 15 . 1 1 36 36 ARG N N 36 122.118 122.118 124.043 -1.925 25142 5543 1 15 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.083 -0.254 25142 5544 1 15 . 1 1 36 36 ARG C C 36 178.596 178.596 177.703 0.893 25142 5545 1 15 . 1 1 36 36 ARG CA C 36 60.144 60.144 58.679 1.465 25142 5546 1 15 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.146 -1.057 25142 5547 1 15 . 1 1 36 36 ARG H H 36 8.951 8.951 8.923 0.028 25142 5548 1 15 . 1 1 37 37 ASP N N 37 116.410 116.410 119.417 -3.007 25142 5549 1 15 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.301 0.125 25142 5550 1 15 . 1 1 37 37 ASP C C 37 178.603 178.603 178.366 0.237 25142 5551 1 15 . 1 1 37 37 ASP CA C 37 57.755 57.755 58.415 -0.660 25142 5552 1 15 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.355 -0.165 25142 5553 1 15 . 1 1 37 37 ASP H H 37 8.454 8.454 7.770 0.684 25142 5554 1 15 . 1 1 38 38 ARG N N 38 121.073 121.073 119.145 1.928 25142 5555 1 15 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.265 -0.048 25142 5556 1 15 . 1 1 38 38 ARG C C 38 177.751 177.751 178.636 -0.885 25142 5557 1 15 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.718 -1.104 25142 5558 1 15 . 1 1 38 38 ARG CB C 38 29.932 29.932 29.799 0.133 25142 5559 1 15 . 1 1 38 38 ARG H H 38 7.795 7.795 7.626 0.169 25142 5560 1 15 . 1 1 39 39 ARG N N 39 119.603 119.603 118.515 1.088 25142 5561 1 15 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.066 -0.392 25142 5562 1 15 . 1 1 39 39 ARG C C 39 177.405 177.405 179.194 -1.789 25142 5563 1 15 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.414 0.870 25142 5564 1 15 . 1 1 39 39 ARG CB C 39 30.073 30.073 30.000 0.073 25142 5565 1 15 . 1 1 39 39 ARG H H 39 8.650 8.650 7.536 1.114 25142 5566 1 15 . 1 1 40 40 TYR N N 40 116.995 116.995 121.006 -4.011 25142 5567 1 15 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.196 -0.125 25142 5568 1 15 . 1 1 40 40 TYR C C 40 177.632 177.632 176.975 0.657 25142 5569 1 15 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.747 1.645 25142 5570 1 15 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.641 -0.840 25142 5571 1 15 . 1 1 40 40 TYR H H 40 7.893 7.893 8.012 -0.119 25142 5572 1 15 . 1 1 41 41 GLU N N 41 120.324 120.324 118.719 1.605 25142 5573 1 15 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.725 0.414 25142 5574 1 15 . 1 1 41 41 GLU C C 41 178.263 178.263 179.011 -0.748 25142 5575 1 15 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.345 -1.309 25142 5576 1 15 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.380 0.693 25142 5577 1 15 . 1 1 41 41 GLU H H 41 7.687 7.687 7.973 -0.286 25142 5578 1 15 . 1 1 42 42 VAL N N 42 120.030 120.030 116.430 3.600 25142 5579 1 15 . 1 1 42 42 VAL HA H 42 3.521 3.521 3.895 -0.374 25142 5580 1 15 . 1 1 42 42 VAL C C 42 177.248 177.248 177.498 -0.250 25142 5581 1 15 . 1 1 42 42 VAL CA C 42 66.186 66.186 65.044 1.142 25142 5582 1 15 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.412 1.190 25142 5583 1 15 . 1 1 42 42 VAL H H 42 8.675 8.675 8.214 0.461 25142 5584 1 15 . 1 1 43 43 ALA N N 43 119.887 119.887 120.931 -1.044 25142 5585 1 15 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.155 -0.587 25142 5586 1 15 . 1 1 43 43 ALA C C 43 179.037 179.037 179.185 -0.148 25142 5587 1 15 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.432 1.637 25142 5588 1 15 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.500 -1.075 25142 5589 1 15 . 1 1 43 43 ALA H H 43 8.026 8.026 7.094 0.932 25142 5590 1 15 . 1 1 44 44 ARG N N 44 116.238 116.238 117.212 -0.974 25142 5591 1 15 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.098 -0.097 25142 5592 1 15 . 1 1 44 44 ARG C C 44 180.290 180.290 178.380 1.910 25142 5593 1 15 . 1 1 44 44 ARG CA C 44 59.301 59.301 57.876 1.425 25142 5594 1 15 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.041 0.032 25142 5595 1 15 . 1 1 44 44 ARG H H 44 7.771 7.771 7.559 0.212 25142 5596 1 15 . 1 1 45 45 VAL N N 45 118.391 118.391 114.719 3.672 25142 5597 1 15 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.091 -0.281 25142 5598 1 15 . 1 1 45 45 VAL C C 45 177.986 177.986 176.655 1.331 25142 5599 1 15 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.449 0.754 25142 5600 1 15 . 1 1 45 45 VAL CB C 45 32.602 32.602 31.744 0.858 25142 5601 1 15 . 1 1 45 45 VAL H H 45 8.250 8.250 7.656 0.594 25142 5602 1 15 . 1 1 46 46 LEU N N 46 116.008 116.008 119.571 -3.563 25142 5603 1 15 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.450 0.057 25142 5604 1 15 . 1 1 46 46 LEU C C 46 176.657 176.657 176.394 0.263 25142 5605 1 15 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.790 -0.126 25142 5606 1 15 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.347 -0.172 25142 5607 1 15 . 1 1 46 46 LEU H H 46 7.896 7.896 7.378 0.518 25142 5608 1 15 . 1 1 47 47 ASN N N 47 117.881 117.881 114.548 3.333 25142 5609 1 15 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.410 0.031 25142 5610 1 15 . 1 1 47 47 ASN C C 47 173.788 173.788 174.290 -0.502 25142 5611 1 15 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.322 0.482 25142 5612 1 15 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.667 0.151 25142 5613 1 15 . 1 1 47 47 ASN H H 47 7.992 7.992 7.795 0.197 25142 5614 1 15 . 1 1 48 48 LEU N N 48 119.211 119.211 117.706 1.505 25142 5615 1 15 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.595 0.282 25142 5616 1 15 . 1 1 48 48 LEU C C 48 176.505 176.505 175.881 0.624 25142 5617 1 15 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.566 0.266 25142 5618 1 15 . 1 1 48 48 LEU CB C 48 47.919 47.919 43.688 4.231 25142 5619 1 15 . 1 1 48 48 LEU H H 48 8.517 8.517 7.824 0.693 25142 5620 1 15 . 1 1 49 49 THR N N 49 109.223 109.223 113.995 -4.772 25142 5621 1 15 . 1 1 49 49 THR HA H 49 4.648 4.648 4.556 0.092 25142 5622 1 15 . 1 1 49 49 THR C C 49 176.663 176.663 175.698 0.965 25142 5623 1 15 . 1 1 49 49 THR CA C 49 60.566 60.566 60.973 -0.407 25142 5624 1 15 . 1 1 49 49 THR CB C 49 70.824 70.824 70.702 0.122 25142 5625 1 15 . 1 1 49 49 THR H H 49 8.694 8.694 8.141 0.553 25142 5626 1 15 . 1 1 50 50 GLU N N 50 121.200 121.200 123.400 -2.200 25142 5627 1 15 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.055 -0.402 25142 5628 1 15 . 1 1 50 50 GLU C C 50 178.500 178.500 178.373 0.127 25142 5629 1 15 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.123 0.864 25142 5630 1 15 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.652 0.280 25142 5631 1 15 . 1 1 50 50 GLU H H 50 9.184 9.184 8.951 0.233 25142 5632 1 15 . 1 1 51 51 ARG N N 51 119.168 119.168 118.892 0.276 25142 5633 1 15 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.321 -0.318 25142 5634 1 15 . 1 1 51 51 ARG C C 51 177.979 177.979 178.543 -0.564 25142 5635 1 15 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.069 1.232 25142 5636 1 15 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.530 0.543 25142 5637 1 15 . 1 1 51 51 ARG H H 51 8.220 8.220 8.508 -0.288 25142 5638 1 15 . 1 1 52 52 GLN N N 52 117.548 117.548 120.208 -2.660 25142 5639 1 15 . 1 1 52 52 GLN HA H 52 4.089 4.089 3.972 0.117 25142 5640 1 15 . 1 1 52 52 GLN C C 52 180.689 180.689 178.381 2.308 25142 5641 1 15 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.207 0.656 25142 5642 1 15 . 1 1 52 52 GLN CB C 52 30.213 30.213 27.998 2.215 25142 5643 1 15 . 1 1 52 52 GLN H H 52 8.029 8.029 8.131 -0.102 25142 5644 1 15 . 1 1 53 53 VAL N N 53 121.408 121.408 119.537 1.871 25142 5645 1 15 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.781 0.032 25142 5646 1 15 . 1 1 53 53 VAL C C 53 176.662 176.662 177.395 -0.733 25142 5647 1 15 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.345 1.809 25142 5648 1 15 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.874 0.728 25142 5649 1 15 . 1 1 53 53 VAL H H 53 8.004 8.004 7.865 0.139 25142 5650 1 15 . 1 1 54 54 LYS N N 54 121.266 121.266 119.351 1.915 25142 5651 1 15 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.210 0.037 25142 5652 1 15 . 1 1 54 54 LYS C C 54 179.996 179.996 179.084 0.912 25142 5653 1 15 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.761 0.243 25142 5654 1 15 . 1 1 54 54 LYS CB C 54 32.602 32.602 31.823 0.779 25142 5655 1 15 . 1 1 54 54 LYS H H 54 8.527 8.527 7.381 1.146 25142 5656 1 15 . 1 1 55 55 ILE N N 55 119.453 119.453 120.218 -0.765 25142 5657 1 15 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.839 0.021 25142 5658 1 15 . 1 1 55 55 ILE C C 55 177.548 177.548 178.128 -0.580 25142 5659 1 15 . 1 1 55 55 ILE CA C 55 63.938 63.938 64.682 -0.744 25142 5660 1 15 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.612 0.611 25142 5661 1 15 . 1 1 55 55 ILE H H 55 8.748 8.748 7.986 0.762 25142 5662 1 15 . 1 1 56 56 TRP N N 56 122.220 122.220 123.105 -0.885 25142 5663 1 15 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.322 -0.415 25142 5664 1 15 . 1 1 56 56 TRP C C 56 180.094 180.094 177.955 2.139 25142 5665 1 15 . 1 1 56 56 TRP CA C 56 63.938 63.938 62.332 1.606 25142 5666 1 15 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.453 -0.083 25142 5667 1 15 . 1 1 56 56 TRP H H 56 8.076 8.076 8.264 -0.188 25142 5668 1 15 . 1 1 57 57 PHE N N 57 119.464 119.464 117.774 1.690 25142 5669 1 15 . 1 1 57 57 PHE HA H 57 3.860 3.860 4.076 -0.216 25142 5670 1 15 . 1 1 57 57 PHE C C 57 177.749 177.749 178.095 -0.346 25142 5671 1 15 . 1 1 57 57 PHE CA C 57 63.938 63.938 62.196 1.742 25142 5672 1 15 . 1 1 57 57 PHE CB C 57 39.628 39.628 38.998 0.630 25142 5673 1 15 . 1 1 57 57 PHE H H 57 8.859 8.859 8.040 0.819 25142 5674 1 15 . 1 1 58 58 GLN N N 58 118.649 118.649 117.954 0.695 25142 5675 1 15 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.934 0.069 25142 5676 1 15 . 1 1 58 58 GLN C C 58 178.888 178.888 178.730 0.158 25142 5677 1 15 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.015 0.286 25142 5678 1 15 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.116 0.551 25142 5679 1 15 . 1 1 58 58 GLN H H 58 8.240 8.240 8.201 0.039 25142 5680 1 15 . 1 1 59 59 ASN N N 59 118.104 118.104 117.930 0.174 25142 5681 1 15 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.437 -0.120 25142 5682 1 15 . 1 1 59 59 ASN C C 59 177.504 177.504 177.310 0.194 25142 5683 1 15 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.015 0.195 25142 5684 1 15 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.432 -0.631 25142 5685 1 15 . 1 1 59 59 ASN H H 59 8.320 8.320 8.060 0.260 25142 5686 1 15 . 1 1 60 60 ARG N N 60 122.957 122.957 119.569 3.388 25142 5687 1 15 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.752 -0.356 25142 5688 1 15 . 1 1 60 60 ARG C C 60 179.229 179.229 177.928 1.301 25142 5689 1 15 . 1 1 60 60 ARG CA C 60 56.631 56.631 59.048 -2.417 25142 5690 1 15 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.957 -1.570 25142 5691 1 15 . 1 1 60 60 ARG H H 60 8.113 8.113 7.713 0.400 25142 5692 1 15 . 1 1 61 61 ARG N N 61 117.860 117.860 117.757 0.103 25142 5693 1 15 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.206 -0.117 25142 5694 1 15 . 1 1 61 61 ARG C C 61 178.883 178.883 178.356 0.527 25142 5695 1 15 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.615 1.248 25142 5696 1 15 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.599 0.316 25142 5697 1 15 . 1 1 61 61 ARG H H 61 7.902 7.902 7.428 0.474 25142 5698 1 15 . 1 1 62 62 MET N N 62 117.859 117.859 118.213 -0.354 25142 5699 1 15 . 1 1 62 62 MET HA H 62 4.263 4.263 3.989 0.274 25142 5700 1 15 . 1 1 62 62 MET C C 62 177.644 177.644 178.239 -0.595 25142 5701 1 15 . 1 1 62 62 MET CA C 62 57.474 57.474 59.015 -1.541 25142 5702 1 15 . 1 1 62 62 MET CB C 62 30.494 30.494 32.533 -2.039 25142 5703 1 15 . 1 1 62 62 MET H H 62 7.535 7.535 7.462 0.073 25142 5704 1 15 . 1 1 63 63 LYS N N 63 118.415 118.415 117.354 1.061 25142 5705 1 15 . 1 1 63 63 LYS HA H 63 4.132 4.132 4.005 0.127 25142 5706 1 15 . 1 1 63 63 LYS C C 63 177.090 177.090 178.662 -1.572 25142 5707 1 15 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.801 -1.186 25142 5708 1 15 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.906 1.118 25142 5709 1 15 . 1 1 63 63 LYS H H 63 7.426 7.426 8.104 -0.678 25142 5710 1 15 . 1 1 64 64 MET N N 64 117.987 117.987 116.164 1.823 25142 5711 1 15 . 1 1 64 64 MET HA H 64 4.271 4.271 4.403 -0.132 25142 5712 1 15 . 1 1 64 64 MET C C 64 176.223 176.223 177.036 -0.813 25142 5713 1 15 . 1 1 64 64 MET CA C 64 57.632 57.632 57.128 0.504 25142 5714 1 15 . 1 1 64 64 MET H H 64 7.538 7.538 7.460 0.078 25142 5715 1 15 . 1 1 65 65 LYS N N 65 120.643 120.643 117.279 3.364 25142 5716 1 15 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.246 0.053 25142 5717 1 15 . 1 1 65 65 LYS C C 65 175.950 175.950 177.715 -1.765 25142 5718 1 15 . 1 1 65 65 LYS CA C 65 57.632 57.632 56.974 0.658 25142 5719 1 15 . 1 1 65 65 LYS CB C 65 33.024 33.024 32.174 0.850 25142 5720 1 15 . 1 1 65 65 LYS H H 65 7.930 7.930 7.634 0.296 25142 5721 1 15 . 1 1 66 66 LYS N N 66 122.089 122.089 118.269 3.820 25142 5722 1 15 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.290 -0.019 25142 5723 1 15 . 1 1 66 66 LYS C C 66 176.302 176.302 176.620 -0.318 25142 5724 1 15 . 1 1 66 66 LYS CA C 66 57.491 57.491 55.723 1.768 25142 5725 1 15 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.040 -0.420 25142 5726 1 15 . 1 1 66 66 LYS H H 66 8.172 8.172 7.450 0.722 25142 5727 1 15 . 1 1 67 67 MET N N 67 119.918 119.918 117.255 2.663 25142 5728 1 15 . 1 1 67 67 MET HA H 67 4.765 4.765 4.122 0.643 25142 5729 1 15 . 1 1 67 67 MET C C 67 175.047 175.047 175.206 -0.159 25142 5730 1 15 . 1 1 67 67 MET H H 67 8.056 8.056 8.156 -0.100 25142 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 64 2.824 -0.674 2.764 25142 2 1 1 "Average Difference" HA 65 0.288 0.124 0.262 25142 3 1 1 "Average Difference" C 63 1.194 0.059 1.202 25142 4 1 1 "Average Difference" CA 64 1.118 -0.327 1.078 25142 5 1 1 "Average Difference" CB 62 1.079 -0.099 1.083 25142 6 1 1 "Average Difference" HN 64 0.482 -0.188 0.447 25142 7 1 2 "Average Difference" N 64 3.067 -0.461 3.056 25142 8 1 2 "Average Difference" HA 65 0.312 0.076 0.305 25142 9 1 2 "Average Difference" C 63 1.239 -0.043 1.248 25142 10 1 2 "Average Difference" CA 64 1.202 -0.244 1.187 25142 11 1 2 "Average Difference" CB 62 1.084 -0.063 1.091 25142 12 1 2 "Average Difference" HN 64 0.512 -0.183 0.482 25142 13 1 3 "Average Difference" N 64 3.063 -0.614 3.024 25142 14 1 3 "Average Difference" HA 65 0.302 0.108 0.284 25142 15 1 3 "Average Difference" C 63 1.247 0.019 1.257 25142 16 1 3 "Average Difference" CA 64 1.137 -0.299 1.106 25142 17 1 3 "Average Difference" CB 62 1.120 -0.206 1.110 25142 18 1 3 "Average Difference" HN 64 0.529 -0.208 0.491 25142 19 1 4 "Average Difference" N 64 2.714 -0.354 2.712 25142 20 1 4 "Average Difference" HA 65 0.338 0.058 0.335 25142 21 1 4 "Average Difference" C 63 1.221 -0.051 1.230 25142 22 1 4 "Average Difference" CA 64 1.165 -0.348 1.121 25142 23 1 4 "Average Difference" CB 62 1.241 -0.273 1.220 25142 24 1 4 "Average Difference" HN 64 0.528 -0.248 0.470 25142 25 1 5 "Average Difference" N 64 3.018 -0.377 3.018 25142 26 1 5 "Average Difference" HA 65 0.313 0.077 0.306 25142 27 1 5 "Average Difference" C 63 1.278 -0.011 1.288 25142 28 1 5 "Average Difference" CA 64 1.242 -0.158 1.242 25142 29 1 5 "Average Difference" CB 62 1.090 -0.210 1.078 25142 30 1 5 "Average Difference" HN 64 0.526 -0.201 0.490 25142 31 1 6 "Average Difference" N 64 3.000 -0.621 2.958 25142 32 1 6 "Average Difference" HA 65 0.295 0.089 0.284 25142 33 1 6 "Average Difference" C 63 1.313 -0.057 1.322 25142 34 1 6 "Average Difference" CA 64 1.176 -0.117 1.180 25142 35 1 6 "Average Difference" CB 62 1.152 -0.113 1.156 25142 36 1 6 "Average Difference" HN 64 0.515 -0.230 0.464 25142 37 1 7 "Average Difference" N 64 3.203 -0.530 3.184 25142 38 1 7 "Average Difference" HA 65 0.288 0.074 0.280 25142 39 1 7 "Average Difference" C 63 1.173 -0.065 1.180 25142 40 1 7 "Average Difference" CA 64 1.153 -0.254 1.133 25142 41 1 7 "Average Difference" CB 62 1.100 -0.127 1.102 25142 42 1 7 "Average Difference" HN 64 0.543 -0.196 0.510 25142 43 1 8 "Average Difference" N 64 3.040 -0.791 2.959 25142 44 1 8 "Average Difference" HA 65 0.338 0.090 0.328 25142 45 1 8 "Average Difference" C 63 1.247 -0.115 1.252 25142 46 1 8 "Average Difference" CA 64 1.094 -0.418 1.019 25142 47 1 8 "Average Difference" CB 62 1.192 -0.162 1.191 25142 48 1 8 "Average Difference" HN 64 0.544 -0.254 0.485 25142 49 1 9 "Average Difference" N 64 2.944 -0.675 2.888 25142 50 1 9 "Average Difference" HA 65 0.318 0.077 0.311 25142 51 1 9 "Average Difference" C 63 1.308 0.006 1.318 25142 52 1 9 "Average Difference" CA 64 1.351 -0.199 1.347 25142 53 1 9 "Average Difference" CB 62 1.134 -0.171 1.130 25142 54 1 9 "Average Difference" HN 64 0.514 -0.276 0.437 25142 55 1 10 "Average Difference" N 64 2.741 -0.565 2.704 25142 56 1 10 "Average Difference" HA 65 0.296 0.125 0.270 25142 57 1 10 "Average Difference" C 63 1.180 -0.013 1.190 25142 58 1 10 "Average Difference" CA 64 1.181 -0.332 1.143 25142 59 1 10 "Average Difference" CB 62 1.144 -0.075 1.151 25142 60 1 10 "Average Difference" HN 64 0.491 -0.186 0.458 25142 61 1 11 "Average Difference" N 64 2.721 -0.417 2.710 25142 62 1 11 "Average Difference" HA 65 0.330 0.070 0.325 25142 63 1 11 "Average Difference" C 63 1.199 -0.109 1.204 25142 64 1 11 "Average Difference" CA 64 1.152 -0.282 1.126 25142 65 1 11 "Average Difference" CB 62 1.250 -0.030 1.259 25142 66 1 11 "Average Difference" HN 64 0.498 -0.194 0.463 25142 67 1 12 "Average Difference" N 64 2.749 -0.624 2.699 25142 68 1 12 "Average Difference" HA 65 0.333 0.090 0.323 25142 69 1 12 "Average Difference" C 63 1.211 -0.080 1.218 25142 70 1 12 "Average Difference" CA 64 1.053 -0.247 1.032 25142 71 1 12 "Average Difference" CB 62 1.148 -0.131 1.149 25142 72 1 12 "Average Difference" HN 64 0.516 -0.202 0.478 25142 73 1 13 "Average Difference" N 64 3.167 -0.851 3.075 25142 74 1 13 "Average Difference" HA 65 0.291 0.068 0.285 25142 75 1 13 "Average Difference" C 63 1.217 -0.008 1.226 25142 76 1 13 "Average Difference" CA 64 1.160 -0.444 1.081 25142 77 1 13 "Average Difference" CB 62 1.089 -0.169 1.085 25142 78 1 13 "Average Difference" HN 64 0.533 -0.290 0.451 25142 79 1 14 "Average Difference" N 64 3.149 -0.808 3.068 25142 80 1 14 "Average Difference" HA 65 0.339 0.067 0.335 25142 81 1 14 "Average Difference" C 63 1.276 0.060 1.284 25142 82 1 14 "Average Difference" CA 64 1.206 -0.216 1.196 25142 83 1 14 "Average Difference" CB 62 1.197 -0.145 1.198 25142 84 1 14 "Average Difference" HN 64 0.520 -0.203 0.482 25142 85 1 15 "Average Difference" N 64 2.914 -0.744 2.840 25142 86 1 15 "Average Difference" HA 65 0.322 0.080 0.314 25142 87 1 15 "Average Difference" C 63 1.221 -0.118 1.225 25142 88 1 15 "Average Difference" CA 64 1.149 -0.297 1.118 25142 89 1 15 "Average Difference" CB 62 1.271 -0.278 1.250 25142 90 1 15 "Average Difference" HN 64 0.546 -0.245 0.492 25142 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 25142 _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 ASN N N 2 125.670 125.670 117.602 8.068 25142 2 1 . 1 1 2 2 ASN HA H 2 4.137 4.137 4.728 -0.591 25142 3 1 . 1 1 2 2 ASN C C 2 170.976 170.976 175.004 -4.028 25142 4 1 . 1 1 2 2 ASN CA C 2 53.812 53.812 52.755 1.056 25142 5 1 . 1 1 2 2 ASN CB C 2 38.888 38.888 39.417 -0.529 25142 6 1 . 1 1 2 2 ASN H H 2 7.926 7.926 8.307 -0.381 25142 7 1 . 1 1 3 3 TRP N N 3 122.562 122.562 119.086 3.476 25142 8 1 . 1 1 3 3 TRP HA H 3 4.762 4.762 4.624 0.138 25142 9 1 . 1 1 3 3 TRP C C 3 176.062 176.062 176.084 -0.022 25142 10 1 . 1 1 3 3 TRP CA C 3 57.970 57.970 58.468 -0.498 25142 11 1 . 1 1 3 3 TRP CB C 3 29.629 29.629 29.058 0.571 25142 12 1 . 1 1 3 3 TRP H H 3 7.920 7.920 8.170 -0.250 25142 13 1 . 1 1 4 4 ILE N N 4 122.339 122.339 116.804 5.535 25142 14 1 . 1 1 4 4 ILE HA H 4 4.171 4.171 3.943 0.228 25142 15 1 . 1 1 4 4 ILE C C 4 175.825 175.825 176.098 -0.273 25142 16 1 . 1 1 4 4 ILE CA C 4 61.409 61.409 62.047 -0.638 25142 17 1 . 1 1 4 4 ILE CB C 4 38.645 38.645 37.565 1.080 25142 18 1 . 1 1 4 4 ILE H H 4 7.893 7.893 7.589 0.304 25142 19 1 . 1 1 5 5 HIS N N 5 122.699 122.699 117.957 4.742 25142 20 1 . 1 1 5 5 HIS HA H 5 4.528 4.528 4.536 -0.008 25142 21 1 . 1 1 5 5 HIS C C 5 175.039 175.039 174.808 0.231 25142 22 1 . 1 1 5 5 HIS CA C 5 56.069 56.069 56.115 -0.046 25142 23 1 . 1 1 5 5 HIS CB C 5 30.634 30.634 30.046 0.588 25142 24 1 . 1 1 5 5 HIS H H 5 8.015 8.015 7.755 0.260 25142 25 1 . 1 1 6 6 ALA N N 6 125.335 125.335 122.477 2.858 25142 26 1 . 1 1 6 6 ALA HA H 6 4.268 4.268 4.111 0.157 25142 27 1 . 1 1 6 6 ALA C C 6 177.735 177.735 176.951 0.784 25142 28 1 . 1 1 6 6 ALA CA C 6 52.697 52.697 52.813 -0.116 25142 29 1 . 1 1 6 6 ALA CB C 6 19.253 19.253 18.927 0.326 25142 30 1 . 1 1 6 6 ALA H H 6 8.183 8.183 7.895 0.288 25142 31 1 . 1 1 7 7 ARG N N 7 120.137 120.137 121.165 -1.028 25142 32 1 . 1 1 7 7 ARG HA H 7 4.291 4.291 4.386 -0.095 25142 33 1 . 1 1 7 7 ARG C C 7 176.556 176.556 175.654 0.902 25142 34 1 . 1 1 7 7 ARG CA C 7 56.226 56.226 55.823 0.403 25142 35 1 . 1 1 7 7 ARG CB C 7 30.933 30.933 30.979 -0.046 25142 36 1 . 1 1 7 7 ARG H H 7 8.399 8.399 8.380 0.019 25142 37 1 . 1 1 9 9 THR N N 9 115.696 115.696 116.257 -0.561 25142 38 1 . 1 1 9 9 THR HA H 9 4.311 4.311 4.436 -0.125 25142 39 1 . 1 1 9 9 THR C C 9 174.493 174.493 174.035 0.458 25142 40 1 . 1 1 9 9 THR CA C 9 61.970 61.970 62.009 -0.039 25142 41 1 . 1 1 9 9 THR CB C 9 69.840 69.840 69.631 0.209 25142 42 1 . 1 1 9 9 THR H H 9 8.081 8.081 8.283 -0.202 25142 43 1 . 1 1 10 10 ARG N N 10 123.599 123.599 123.491 0.108 25142 44 1 . 1 1 10 10 ARG HA H 10 4.313 4.313 4.385 -0.072 25142 45 1 . 1 1 10 10 ARG C C 10 176.173 176.173 175.634 0.539 25142 46 1 . 1 1 10 10 ARG CA C 10 56.227 56.227 56.220 0.007 25142 47 1 . 1 1 10 10 ARG CB C 10 30.933 30.933 30.514 0.420 25142 48 1 . 1 1 10 10 ARG H H 10 8.275 8.275 8.444 -0.169 25142 49 1 . 1 1 11 11 LYS N N 11 123.132 123.132 123.208 -0.076 25142 50 1 . 1 1 11 11 LYS HA H 11 4.298 4.298 4.370 -0.072 25142 51 1 . 1 1 11 11 LYS CA C 11 56.648 56.648 56.313 0.335 25142 52 1 . 1 1 11 11 LYS CB C 11 33.181 33.181 33.223 -0.042 25142 53 1 . 1 1 11 11 LYS H H 11 8.334 8.334 8.424 -0.090 25142 54 1 . 1 1 12 12 LYS N N 12 123.229 123.229 121.553 1.676 25142 55 1 . 1 1 12 12 LYS HA H 12 4.254 4.254 4.442 -0.188 25142 56 1 . 1 1 12 12 LYS C C 12 176.124 176.124 176.386 -0.262 25142 57 1 . 1 1 12 12 LYS CA C 12 56.631 56.631 56.092 0.539 25142 58 1 . 1 1 12 12 LYS CB C 12 33.164 33.164 33.383 -0.219 25142 59 1 . 1 1 12 12 LYS H H 12 8.357 8.357 8.240 0.117 25142 60 1 . 1 1 13 13 ARG N N 13 123.166 123.166 121.112 2.054 25142 61 1 . 1 1 13 13 ARG HA H 13 4.317 4.317 4.433 -0.116 25142 62 1 . 1 1 13 13 ARG C C 13 175.831 175.831 175.846 -0.015 25142 63 1 . 1 1 13 13 ARG CA C 13 56.210 56.210 57.130 -0.920 25142 64 1 . 1 1 13 13 ARG CB C 13 30.073 30.073 30.297 -0.224 25142 65 1 . 1 1 13 13 ARG H H 13 8.439 8.439 8.670 -0.231 25142 66 1 . 1 1 14 14 CYS N N 14 123.412 123.412 118.971 4.441 25142 67 1 . 1 1 14 14 CYS HA H 14 4.614 4.614 4.740 -0.126 25142 68 1 . 1 1 14 14 CYS CA C 14 56.771 56.771 57.613 -0.842 25142 69 1 . 1 1 14 14 CYS H H 14 8.542 8.542 8.284 0.258 25142 70 1 . 1 1 15 15 PRO HA H 15 4.333 4.333 4.336 -0.003 25142 71 1 . 1 1 15 15 PRO C C 15 175.713 175.713 176.080 -0.367 25142 72 1 . 1 1 15 15 PRO CA C 15 63.798 63.798 63.651 0.147 25142 73 1 . 1 1 15 15 PRO CB C 15 32.040 32.040 31.799 0.241 25142 74 1 . 1 1 16 16 TYR N N 16 116.961 116.961 118.448 -1.487 25142 75 1 . 1 1 16 16 TYR HA H 16 4.925 4.925 4.642 0.283 25142 76 1 . 1 1 16 16 TYR C C 16 176.803 176.803 175.802 1.001 25142 77 1 . 1 1 16 16 TYR CA C 16 56.583 56.583 57.849 -1.266 25142 78 1 . 1 1 16 16 TYR CB C 16 40.045 40.045 38.379 1.666 25142 79 1 . 1 1 16 16 TYR H H 16 7.539 7.539 7.825 -0.286 25142 80 1 . 1 1 17 17 THR N N 17 115.107 115.107 117.492 -2.385 25142 81 1 . 1 1 17 17 THR HA H 17 4.469 4.469 4.641 -0.172 25142 82 1 . 1 1 17 17 THR C C 17 175.593 175.593 175.684 -0.091 25142 83 1 . 1 1 17 17 THR CA C 17 60.987 60.987 59.817 1.170 25142 84 1 . 1 1 17 17 THR CB C 17 71.240 71.240 70.837 0.403 25142 85 1 . 1 1 17 17 THR H H 17 9.305 9.305 8.246 1.059 25142 86 1 . 1 1 18 18 LYS N N 18 123.297 123.297 121.127 2.170 25142 87 1 . 1 1 18 18 LYS HA H 18 4.091 4.091 4.106 -0.015 25142 88 1 . 1 1 18 18 LYS C C 18 178.363 178.363 178.402 -0.039 25142 89 1 . 1 1 18 18 LYS CA C 18 60.004 60.004 59.216 0.788 25142 90 1 . 1 1 18 18 LYS CB C 18 32.040 32.040 32.028 0.012 25142 91 1 . 1 1 18 18 LYS H H 18 8.990 8.990 8.891 0.099 25142 92 1 . 1 1 19 19 TYR N N 19 118.372 118.372 120.806 -2.434 25142 93 1 . 1 1 19 19 TYR HA H 19 4.171 4.171 4.123 0.048 25142 94 1 . 1 1 19 19 TYR C C 19 176.959 176.959 177.313 -0.354 25142 95 1 . 1 1 19 19 TYR CA C 19 61.409 61.409 62.037 -0.628 25142 96 1 . 1 1 19 19 TYR CB C 19 38.802 38.802 38.604 0.198 25142 97 1 . 1 1 19 19 TYR H H 19 8.334 8.334 7.793 0.541 25142 98 1 . 1 1 20 20 GLN N N 20 116.238 116.238 117.401 -1.163 25142 99 1 . 1 1 20 20 GLN HA H 20 3.536 3.536 3.920 -0.384 25142 100 1 . 1 1 20 20 GLN C C 20 177.491 177.491 178.179 -0.688 25142 101 1 . 1 1 20 20 GLN CA C 20 59.301 59.301 59.365 -0.064 25142 102 1 . 1 1 20 20 GLN CB C 20 28.105 28.105 28.076 0.029 25142 103 1 . 1 1 20 20 GLN H H 20 7.771 7.771 8.275 -0.504 25142 104 1 . 1 1 21 21 THR N N 21 112.943 112.943 114.821 -1.878 25142 105 1 . 1 1 21 21 THR HA H 21 3.401 3.401 4.128 -0.727 25142 106 1 . 1 1 21 21 THR C C 21 175.530 175.530 176.559 -1.029 25142 107 1 . 1 1 21 21 THR CA C 21 67.451 67.451 65.481 1.970 25142 108 1 . 1 1 21 21 THR CB C 21 68.856 68.856 68.829 0.027 25142 109 1 . 1 1 21 21 THR H H 21 8.468 8.468 7.808 0.660 25142 110 1 . 1 1 22 22 LEU N N 22 121.513 121.513 121.827 -0.314 25142 111 1 . 1 1 22 22 LEU HA H 22 3.979 3.979 4.487 -0.508 25142 112 1 . 1 1 22 22 LEU C C 22 180.452 180.452 178.184 2.268 25142 113 1 . 1 1 22 22 LEU CA C 22 58.036 58.036 57.818 0.218 25142 114 1 . 1 1 22 22 LEU CB C 22 41.877 41.877 41.531 0.346 25142 115 1 . 1 1 22 22 LEU H H 22 8.054 8.054 7.450 0.604 25142 116 1 . 1 1 23 23 GLU N N 23 118.464 118.464 118.097 0.367 25142 117 1 . 1 1 23 23 GLU HA H 23 3.836 3.836 4.121 -0.285 25142 118 1 . 1 1 23 23 GLU C C 23 179.824 179.824 179.217 0.607 25142 119 1 . 1 1 23 23 GLU CA C 23 58.598 58.598 58.536 0.062 25142 120 1 . 1 1 23 23 GLU CB C 23 30.932 30.932 29.438 1.494 25142 121 1 . 1 1 23 23 GLU H H 23 7.732 7.732 7.675 0.057 25142 122 1 . 1 1 24 24 LEU N N 24 124.210 124.210 119.601 4.609 25142 123 1 . 1 1 24 24 LEU HA H 24 3.512 3.512 4.157 -0.645 25142 124 1 . 1 1 24 24 LEU C C 24 177.592 177.592 178.762 -1.170 25142 125 1 . 1 1 24 24 LEU CA C 24 58.458 58.458 57.657 0.801 25142 126 1 . 1 1 24 24 LEU CB C 24 37.520 37.520 41.999 -4.479 25142 127 1 . 1 1 24 24 LEU H H 24 8.335 8.335 7.840 0.495 25142 128 1 . 1 1 25 25 GLU N N 25 119.137 119.137 117.930 1.207 25142 129 1 . 1 1 25 25 GLU HA H 25 4.247 4.247 4.159 0.088 25142 130 1 . 1 1 25 25 GLU C C 25 179.021 179.021 178.608 0.413 25142 131 1 . 1 1 25 25 GLU CA C 25 60.003 60.003 58.859 1.144 25142 132 1 . 1 1 25 25 GLU CB C 25 28.668 28.668 29.121 -0.454 25142 133 1 . 1 1 25 25 GLU H H 25 7.912 7.912 8.202 -0.290 25142 134 1 . 1 1 26 26 LYS N N 26 118.579 118.579 118.559 0.020 25142 135 1 . 1 1 26 26 LYS HA H 26 3.917 3.917 4.307 -0.390 25142 136 1 . 1 1 26 26 LYS C C 26 179.351 179.351 178.678 0.673 25142 137 1 . 1 1 26 26 LYS CA C 26 60.003 60.003 58.069 1.934 25142 138 1 . 1 1 26 26 LYS CB C 26 32.602 32.602 32.448 0.154 25142 139 1 . 1 1 26 26 LYS H H 26 7.537 7.537 7.636 -0.099 25142 140 1 . 1 1 27 27 GLU N N 27 120.048 120.048 120.219 -0.171 25142 141 1 . 1 1 27 27 GLU HA H 27 4.145 4.145 4.172 -0.027 25142 142 1 . 1 1 27 27 GLU C C 27 178.189 178.189 178.089 0.100 25142 143 1 . 1 1 27 27 GLU CA C 27 59.020 59.020 58.144 0.876 25142 144 1 . 1 1 27 27 GLU CB C 27 28.527 28.527 29.098 -0.571 25142 145 1 . 1 1 27 27 GLU H H 27 7.849 7.849 7.657 0.192 25142 146 1 . 1 1 28 28 PHE N N 28 122.074 122.074 120.057 2.017 25142 147 1 . 1 1 28 28 PHE HA H 28 4.358 4.358 4.060 0.298 25142 148 1 . 1 1 28 28 PHE C C 28 176.148 176.148 176.806 -0.658 25142 149 1 . 1 1 28 28 PHE CA C 28 61.830 61.830 60.620 1.210 25142 150 1 . 1 1 28 28 PHE CB C 28 39.347 39.347 39.008 0.339 25142 151 1 . 1 1 28 28 PHE H H 28 8.893 8.893 7.624 1.269 25142 152 1 . 1 1 29 29 LEU N N 29 115.649 115.649 118.733 -3.084 25142 153 1 . 1 1 29 29 LEU HA H 29 3.963 3.963 3.949 0.014 25142 154 1 . 1 1 29 29 LEU C C 29 179.362 179.362 177.956 1.406 25142 155 1 . 1 1 29 29 LEU CA C 29 56.350 56.350 56.897 -0.547 25142 156 1 . 1 1 29 29 LEU CB C 29 41.756 41.756 41.059 0.698 25142 157 1 . 1 1 29 29 LEU H H 29 7.919 7.919 7.581 0.338 25142 158 1 . 1 1 30 30 PHE N N 30 119.314 119.314 118.914 0.400 25142 159 1 . 1 1 30 30 PHE HA H 30 4.445 4.445 4.162 0.283 25142 160 1 . 1 1 30 30 PHE C C 30 176.451 176.451 176.516 -0.065 25142 161 1 . 1 1 30 30 PHE CA C 30 59.582 59.582 59.702 -0.120 25142 162 1 . 1 1 30 30 PHE CB C 30 39.628 39.628 38.669 0.959 25142 163 1 . 1 1 30 30 PHE H H 30 7.584 7.584 8.009 -0.425 25142 164 1 . 1 1 31 31 ASN N N 31 116.457 116.457 118.038 -1.581 25142 165 1 . 1 1 31 31 ASN HA H 31 4.592 4.592 4.218 0.374 25142 166 1 . 1 1 31 31 ASN C C 31 173.302 173.302 176.245 -2.943 25142 167 1 . 1 1 31 31 ASN CA C 31 53.961 53.961 55.338 -1.377 25142 168 1 . 1 1 31 31 ASN CB C 31 39.347 39.347 38.179 1.168 25142 169 1 . 1 1 31 31 ASN H H 31 8.375 8.375 7.829 0.546 25142 170 1 . 1 1 32 32 MET N N 32 121.247 121.247 116.167 5.080 25142 171 1 . 1 1 32 32 MET HA H 32 3.761 3.761 4.328 -0.567 25142 172 1 . 1 1 32 32 MET C C 32 174.112 174.112 176.076 -1.964 25142 173 1 . 1 1 32 32 MET CA C 32 57.474 57.474 57.166 0.308 25142 174 1 . 1 1 32 32 MET CB C 32 33.586 33.586 34.043 -0.457 25142 175 1 . 1 1 32 32 MET H H 32 8.185 8.185 7.483 0.702 25142 176 1 . 1 1 33 33 TYR N N 33 115.333 115.333 116.248 -0.915 25142 177 1 . 1 1 33 33 TYR HA H 33 4.677 4.677 4.540 0.137 25142 178 1 . 1 1 33 33 TYR C C 33 175.017 175.017 173.884 1.133 25142 179 1 . 1 1 33 33 TYR CA C 33 57.193 57.193 57.937 -0.744 25142 180 1 . 1 1 33 33 TYR CB C 33 40.190 40.190 40.331 -0.141 25142 181 1 . 1 1 33 33 TYR H H 33 7.758 7.758 7.659 0.099 25142 182 1 . 1 1 34 34 LEU N N 34 122.393 122.393 123.754 -1.361 25142 183 1 . 1 1 34 34 LEU HA H 34 4.592 4.592 4.766 -0.174 25142 184 1 . 1 1 34 34 LEU C C 34 178.373 178.373 175.641 2.732 25142 185 1 . 1 1 34 34 LEU CA C 34 53.961 53.961 54.187 -0.226 25142 186 1 . 1 1 34 34 LEU CB C 34 43.844 43.844 45.445 -1.601 25142 187 1 . 1 1 34 34 LEU H H 34 8.293 8.293 8.229 0.064 25142 188 1 . 1 1 35 35 THR N N 35 113.078 113.078 116.373 -3.295 25142 189 1 . 1 1 35 35 THR HA H 35 4.445 4.445 4.741 -0.296 25142 190 1 . 1 1 35 35 THR C C 35 175.115 175.115 175.350 -0.235 25142 191 1 . 1 1 35 35 THR CA C 35 59.582 59.582 60.251 -0.669 25142 192 1 . 1 1 35 35 THR CB C 35 70.823 70.823 70.618 0.205 25142 193 1 . 1 1 35 35 THR H H 35 7.729 7.729 8.154 -0.425 25142 194 1 . 1 1 36 36 ARG N N 36 122.118 122.118 123.906 -1.788 25142 195 1 . 1 1 36 36 ARG HA H 36 3.829 3.829 4.087 -0.258 25142 196 1 . 1 1 36 36 ARG C C 36 178.596 178.596 177.782 0.814 25142 197 1 . 1 1 36 36 ARG CA C 36 60.144 60.144 59.250 0.894 25142 198 1 . 1 1 36 36 ARG CB C 36 29.089 29.089 30.382 -1.293 25142 199 1 . 1 1 36 36 ARG H H 36 8.951 8.951 8.887 0.064 25142 200 1 . 1 1 37 37 ASP N N 37 116.410 116.410 119.006 -2.596 25142 201 1 . 1 1 37 37 ASP HA H 37 4.426 4.426 4.393 0.033 25142 202 1 . 1 1 37 37 ASP C C 37 178.603 178.603 178.516 0.087 25142 203 1 . 1 1 37 37 ASP CA C 37 57.755 57.755 57.882 -0.127 25142 204 1 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.449 -0.259 25142 205 1 . 1 1 37 37 ASP H H 37 8.454 8.454 7.851 0.603 25142 206 1 . 1 1 38 38 ARG N N 38 121.073 121.073 119.801 1.272 25142 207 1 . 1 1 38 38 ARG HA H 38 4.217 4.217 4.418 -0.201 25142 208 1 . 1 1 38 38 ARG C C 38 177.751 177.751 178.512 -0.761 25142 209 1 . 1 1 38 38 ARG CA C 38 57.614 57.614 58.361 -0.747 25142 210 1 . 1 1 38 38 ARG CB C 38 29.932 29.932 30.078 -0.146 25142 211 1 . 1 1 38 38 ARG H H 38 7.795 7.795 7.674 0.121 25142 212 1 . 1 1 39 39 ARG N N 39 119.603 119.603 118.838 0.765 25142 213 1 . 1 1 39 39 ARG HA H 39 3.674 3.674 4.071 -0.397 25142 214 1 . 1 1 39 39 ARG C C 39 177.405 177.405 179.229 -1.824 25142 215 1 . 1 1 39 39 ARG CA C 39 60.285 60.285 59.411 0.874 25142 216 1 . 1 1 39 39 ARG CB C 39 30.073 30.073 29.985 0.087 25142 217 1 . 1 1 39 39 ARG H H 39 8.650 8.650 7.628 1.022 25142 218 1 . 1 1 40 40 TYR N N 40 116.995 116.995 120.959 -3.964 25142 219 1 . 1 1 40 40 TYR HA H 40 4.071 4.071 4.217 -0.146 25142 220 1 . 1 1 40 40 TYR C C 40 177.632 177.632 176.853 0.779 25142 221 1 . 1 1 40 40 TYR CA C 40 62.392 62.392 60.752 1.640 25142 222 1 . 1 1 40 40 TYR CB C 40 37.801 37.801 38.739 -0.938 25142 223 1 . 1 1 40 40 TYR H H 40 7.893 7.893 8.181 -0.288 25142 224 1 . 1 1 41 41 GLU N N 41 120.324 120.324 118.706 1.618 25142 225 1 . 1 1 41 41 GLU HA H 41 4.139 4.139 3.817 0.322 25142 226 1 . 1 1 41 41 GLU C C 41 178.263 178.263 179.114 -0.851 25142 227 1 . 1 1 41 41 GLU CA C 41 58.036 58.036 59.372 -1.336 25142 228 1 . 1 1 41 41 GLU CB C 41 30.073 30.073 29.373 0.700 25142 229 1 . 1 1 41 41 GLU H H 41 7.687 7.687 7.945 -0.258 25142 230 1 . 1 1 42 42 VAL N N 42 120.030 120.030 115.050 4.980 25142 231 1 . 1 1 42 42 VAL HA H 42 3.521 3.521 4.120 -0.599 25142 232 1 . 1 1 42 42 VAL C C 42 177.248 177.248 177.366 -0.118 25142 233 1 . 1 1 42 42 VAL CA C 42 66.186 66.186 64.757 1.429 25142 234 1 . 1 1 42 42 VAL CB C 42 32.602 32.602 31.422 1.180 25142 235 1 . 1 1 42 42 VAL H H 42 8.675 8.675 8.278 0.397 25142 236 1 . 1 1 43 43 ALA N N 43 119.887 119.887 122.035 -2.148 25142 237 1 . 1 1 43 43 ALA HA H 43 3.568 3.568 4.130 -0.562 25142 238 1 . 1 1 43 43 ALA C C 43 179.037 179.037 179.223 -0.186 25142 239 1 . 1 1 43 43 ALA CA C 43 56.069 56.069 54.441 1.628 25142 240 1 . 1 1 43 43 ALA CB C 43 17.426 17.426 18.618 -1.192 25142 241 1 . 1 1 43 43 ALA H H 43 8.026 8.026 7.387 0.639 25142 242 1 . 1 1 44 44 ARG N N 44 116.238 116.238 117.332 -1.094 25142 243 1 . 1 1 44 44 ARG HA H 44 4.001 4.001 4.096 -0.095 25142 244 1 . 1 1 44 44 ARG C C 44 180.290 180.290 178.362 1.928 25142 245 1 . 1 1 44 44 ARG CA C 44 59.301 59.301 58.399 0.902 25142 246 1 . 1 1 44 44 ARG CB C 44 30.073 30.073 30.356 -0.283 25142 247 1 . 1 1 44 44 ARG H H 44 7.771 7.771 7.671 0.100 25142 248 1 . 1 1 45 45 VAL N N 45 118.391 118.391 114.928 3.463 25142 249 1 . 1 1 45 45 VAL HA H 45 3.810 3.810 4.094 -0.284 25142 250 1 . 1 1 45 45 VAL C C 45 177.986 177.986 176.762 1.224 25142 251 1 . 1 1 45 45 VAL CA C 45 65.203 65.203 64.777 0.426 25142 252 1 . 1 1 45 45 VAL CB C 45 32.602 32.602 32.016 0.586 25142 253 1 . 1 1 45 45 VAL H H 45 8.250 8.250 7.546 0.704 25142 254 1 . 1 1 46 46 LEU N N 46 116.008 116.008 119.726 -3.718 25142 255 1 . 1 1 46 46 LEU HA H 46 4.507 4.507 4.410 0.097 25142 256 1 . 1 1 46 46 LEU C C 46 176.657 176.657 176.443 0.214 25142 257 1 . 1 1 46 46 LEU CA C 46 54.664 54.664 54.586 0.078 25142 258 1 . 1 1 46 46 LEU CB C 46 42.175 42.175 42.058 0.117 25142 259 1 . 1 1 46 46 LEU H H 46 7.896 7.896 7.490 0.406 25142 260 1 . 1 1 47 47 ASN N N 47 117.881 117.881 113.728 4.153 25142 261 1 . 1 1 47 47 ASN HA H 47 4.441 4.441 4.354 0.087 25142 262 1 . 1 1 47 47 ASN C C 47 173.788 173.788 174.318 -0.530 25142 263 1 . 1 1 47 47 ASN CA C 47 54.804 54.804 54.199 0.605 25142 264 1 . 1 1 47 47 ASN CB C 47 36.818 36.818 36.602 0.216 25142 265 1 . 1 1 47 47 ASN H H 47 7.992 7.992 7.857 0.135 25142 266 1 . 1 1 48 48 LEU N N 48 119.211 119.211 116.463 2.748 25142 267 1 . 1 1 48 48 LEU HA H 48 4.877 4.877 4.688 0.189 25142 268 1 . 1 1 48 48 LEU C C 48 176.505 176.505 176.149 0.356 25142 269 1 . 1 1 48 48 LEU CA C 48 52.832 52.832 52.799 0.033 25142 270 1 . 1 1 48 48 LEU CB C 48 47.919 47.919 44.303 3.616 25142 271 1 . 1 1 48 48 LEU H H 48 8.517 8.517 7.874 0.643 25142 272 1 . 1 1 49 49 THR N N 49 109.223 109.223 114.030 -4.807 25142 273 1 . 1 1 49 49 THR HA H 49 4.648 4.648 4.551 0.097 25142 274 1 . 1 1 49 49 THR C C 49 176.663 176.663 175.385 1.278 25142 275 1 . 1 1 49 49 THR CA C 49 60.566 60.566 60.894 -0.328 25142 276 1 . 1 1 49 49 THR CB C 49 70.824 70.824 70.702 0.122 25142 277 1 . 1 1 49 49 THR H H 49 8.694 8.694 8.213 0.481 25142 278 1 . 1 1 50 50 GLU N N 50 121.200 121.200 123.254 -2.054 25142 279 1 . 1 1 50 50 GLU HA H 50 3.653 3.653 4.114 -0.461 25142 280 1 . 1 1 50 50 GLU C C 50 178.500 178.500 178.808 -0.308 25142 281 1 . 1 1 50 50 GLU CA C 50 60.987 60.987 60.270 0.717 25142 282 1 . 1 1 50 50 GLU CB C 50 29.932 29.932 29.594 0.338 25142 283 1 . 1 1 50 50 GLU H H 50 9.184 9.184 8.902 0.282 25142 284 1 . 1 1 51 51 ARG N N 51 119.168 119.168 118.570 0.598 25142 285 1 . 1 1 51 51 ARG HA H 51 4.003 4.003 4.246 -0.243 25142 286 1 . 1 1 51 51 ARG C C 51 177.979 177.979 178.445 -0.466 25142 287 1 . 1 1 51 51 ARG CA C 51 59.301 59.301 58.643 0.658 25142 288 1 . 1 1 51 51 ARG CB C 51 30.073 30.073 29.866 0.207 25142 289 1 . 1 1 51 51 ARG H H 51 8.220 8.220 8.450 -0.230 25142 290 1 . 1 1 52 52 GLN N N 52 117.548 117.548 119.795 -2.247 25142 291 1 . 1 1 52 52 GLN HA H 52 4.089 4.089 4.160 -0.071 25142 292 1 . 1 1 52 52 GLN C C 52 180.689 180.689 178.205 2.484 25142 293 1 . 1 1 52 52 GLN CA C 52 59.863 59.863 59.294 0.569 25142 294 1 . 1 1 52 52 GLN CB C 52 30.213 30.213 28.130 2.083 25142 295 1 . 1 1 52 52 GLN H H 52 8.029 8.029 8.361 -0.332 25142 296 1 . 1 1 53 53 VAL N N 53 121.408 121.408 118.843 2.565 25142 297 1 . 1 1 53 53 VAL HA H 53 3.813 3.813 3.754 0.059 25142 298 1 . 1 1 53 53 VAL C C 53 176.662 176.662 177.437 -0.775 25142 299 1 . 1 1 53 53 VAL CA C 53 68.154 68.154 66.011 2.143 25142 300 1 . 1 1 53 53 VAL CB C 53 32.602 32.602 31.511 1.091 25142 301 1 . 1 1 53 53 VAL H H 53 8.004 8.004 7.765 0.239 25142 302 1 . 1 1 54 54 LYS N N 54 121.266 121.266 119.901 1.365 25142 303 1 . 1 1 54 54 LYS HA H 54 4.247 4.247 4.009 0.238 25142 304 1 . 1 1 54 54 LYS C C 54 179.996 179.996 179.110 0.886 25142 305 1 . 1 1 54 54 LYS CA C 54 60.004 60.004 59.426 0.578 25142 306 1 . 1 1 54 54 LYS CB C 54 32.602 32.602 32.067 0.535 25142 307 1 . 1 1 54 54 LYS H H 54 8.527 8.527 7.395 1.132 25142 308 1 . 1 1 55 55 ILE N N 55 119.453 119.453 120.118 -0.665 25142 309 1 . 1 1 55 55 ILE HA H 55 3.860 3.860 3.834 0.026 25142 310 1 . 1 1 55 55 ILE C C 55 177.548 177.548 177.899 -0.351 25142 311 1 . 1 1 55 55 ILE CA C 55 63.938 63.938 65.163 -1.225 25142 312 1 . 1 1 55 55 ILE CB C 55 38.223 38.223 37.798 0.425 25142 313 1 . 1 1 55 55 ILE H H 55 8.748 8.748 8.237 0.511 25142 314 1 . 1 1 56 56 TRP N N 56 122.220 122.220 121.814 0.406 25142 315 1 . 1 1 56 56 TRP HA H 56 3.907 3.907 4.247 -0.340 25142 316 1 . 1 1 56 56 TRP C C 56 180.094 180.094 177.913 2.181 25142 317 1 . 1 1 56 56 TRP CA C 56 63.938 63.938 61.560 2.378 25142 318 1 . 1 1 56 56 TRP CB C 56 29.370 29.370 29.601 -0.231 25142 319 1 . 1 1 56 56 TRP H H 56 8.076 8.076 8.131 -0.055 25142 320 1 . 1 1 57 57 PHE N N 57 119.464 119.464 119.181 0.283 25142 321 1 . 1 1 57 57 PHE HA H 57 3.860 3.860 3.951 -0.091 25142 322 1 . 1 1 57 57 PHE C C 57 177.749 177.749 177.483 0.266 25142 323 1 . 1 1 57 57 PHE CA C 57 63.938 63.938 61.582 2.356 25142 324 1 . 1 1 57 57 PHE CB C 57 39.628 39.628 39.189 0.439 25142 325 1 . 1 1 57 57 PHE H H 57 8.859 8.859 7.822 1.037 25142 326 1 . 1 1 58 58 GLN N N 58 118.649 118.649 118.767 -0.118 25142 327 1 . 1 1 58 58 GLN HA H 58 4.003 4.003 3.846 0.157 25142 328 1 . 1 1 58 58 GLN C C 58 178.888 178.888 178.358 0.530 25142 329 1 . 1 1 58 58 GLN CA C 58 59.301 59.301 59.213 0.088 25142 330 1 . 1 1 58 58 GLN CB C 58 28.667 28.667 28.476 0.191 25142 331 1 . 1 1 58 58 GLN H H 58 8.240 8.240 8.225 0.015 25142 332 1 . 1 1 59 59 ASN N N 59 118.104 118.104 118.013 0.091 25142 333 1 . 1 1 59 59 ASN HA H 59 4.317 4.317 4.306 0.011 25142 334 1 . 1 1 59 59 ASN C C 59 177.504 177.504 177.459 0.045 25142 335 1 . 1 1 59 59 ASN CA C 59 56.210 56.210 56.150 0.060 25142 336 1 . 1 1 59 59 ASN CB C 59 37.801 37.801 38.078 -0.277 25142 337 1 . 1 1 59 59 ASN H H 59 8.320 8.320 7.977 0.343 25142 338 1 . 1 1 60 60 ARG N N 60 122.957 122.957 119.094 3.863 25142 339 1 . 1 1 60 60 ARG HA H 60 3.396 3.396 3.789 -0.393 25142 340 1 . 1 1 60 60 ARG C C 60 179.229 179.229 178.189 1.040 25142 341 1 . 1 1 60 60 ARG CA C 60 56.631 56.631 58.528 -1.897 25142 342 1 . 1 1 60 60 ARG CB C 60 28.387 28.387 29.768 -1.381 25142 343 1 . 1 1 60 60 ARG H H 60 8.113 8.113 7.540 0.573 25142 344 1 . 1 1 61 61 ARG N N 61 117.860 117.860 118.642 -0.782 25142 345 1 . 1 1 61 61 ARG HA H 61 4.089 4.089 4.067 0.022 25142 346 1 . 1 1 61 61 ARG C C 61 178.883 178.883 178.412 0.471 25142 347 1 . 1 1 61 61 ARG CA C 61 59.863 59.863 58.006 1.857 25142 348 1 . 1 1 61 61 ARG CB C 61 30.915 30.915 30.008 0.907 25142 349 1 . 1 1 61 61 ARG H H 61 7.902 7.902 7.444 0.458 25142 350 1 . 1 1 62 62 MET N N 62 117.859 117.859 118.259 -0.400 25142 351 1 . 1 1 62 62 MET HA H 62 4.263 4.263 4.024 0.239 25142 352 1 . 1 1 62 62 MET C C 62 177.644 177.644 178.297 -0.653 25142 353 1 . 1 1 62 62 MET CA C 62 57.474 57.474 59.043 -1.570 25142 354 1 . 1 1 62 62 MET CB C 62 30.494 30.494 32.205 -1.711 25142 355 1 . 1 1 62 62 MET H H 62 7.535 7.535 7.856 -0.321 25142 356 1 . 1 1 63 63 LYS N N 63 118.415 118.415 118.474 -0.059 25142 357 1 . 1 1 63 63 LYS HA H 63 4.132 4.132 3.991 0.141 25142 358 1 . 1 1 63 63 LYS C C 63 177.090 177.090 178.590 -1.500 25142 359 1 . 1 1 63 63 LYS CA C 63 57.615 57.615 58.870 -1.255 25142 360 1 . 1 1 63 63 LYS CB C 63 33.024 33.024 31.883 1.141 25142 361 1 . 1 1 63 63 LYS H H 63 7.426 7.426 7.830 -0.404 25142 362 1 . 1 1 64 64 MET N N 64 117.987 117.987 116.590 1.397 25142 363 1 . 1 1 64 64 MET HA H 64 4.271 4.271 4.390 -0.119 25142 364 1 . 1 1 64 64 MET C C 64 176.223 176.223 177.423 -1.200 25142 365 1 . 1 1 64 64 MET CA C 64 57.632 57.632 57.269 0.363 25142 366 1 . 1 1 64 64 MET H H 64 7.538 7.538 7.466 0.072 25142 367 1 . 1 1 65 65 LYS N N 65 120.643 120.643 118.105 2.538 25142 368 1 . 1 1 65 65 LYS HA H 65 4.299 4.299 4.217 0.082 25142 369 1 . 1 1 65 65 LYS C C 65 175.950 175.950 177.481 -1.531 25142 370 1 . 1 1 65 65 LYS CA C 65 57.632 57.632 57.138 0.494 25142 371 1 . 1 1 65 65 LYS CB C 65 33.024 33.024 31.948 1.076 25142 372 1 . 1 1 65 65 LYS H H 65 7.930 7.930 7.573 0.357 25142 373 1 . 1 1 66 66 LYS N N 66 122.089 122.089 117.999 4.090 25142 374 1 . 1 1 66 66 LYS HA H 66 4.271 4.271 4.318 -0.047 25142 375 1 . 1 1 66 66 LYS C C 66 176.302 176.302 176.409 -0.107 25142 376 1 . 1 1 66 66 LYS CA C 66 57.491 57.491 56.173 1.318 25142 377 1 . 1 1 66 66 LYS CB C 66 32.620 32.620 33.022 -0.402 25142 378 1 . 1 1 66 66 LYS H H 66 8.172 8.172 7.564 0.608 25142 379 1 . 1 1 67 67 MET N N 67 119.918 119.918 117.912 2.006 25142 380 1 . 1 1 67 67 MET HA H 67 4.765 4.765 4.228 0.537 25142 381 1 . 1 1 67 67 MET C C 67 175.047 175.047 175.293 -0.246 25142 382 1 . 1 1 67 67 MET H H 67 8.056 8.056 7.635 0.421 25142 stop_ save_