data_19185 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19185 _Entry.PDB_ID 2M7G 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 19185 _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 THR N N 2 112.540 112.540 118.372 -5.832 19185 2 1 1 . 1 1 2 2 THR HA H 2 4.713 4.713 4.356 0.357 19185 3 1 1 . 1 1 2 2 THR C C 2 174.853 174.853 175.622 -0.769 19185 4 1 1 . 1 1 2 2 THR CA C 2 59.734 59.734 60.671 -0.937 19185 5 1 1 . 1 1 2 2 THR CB C 2 71.378 71.378 70.030 1.348 19185 6 1 1 . 1 1 2 2 THR H H 2 8.189 8.189 7.214 0.975 19185 7 1 1 . 1 1 3 3 LEU N N 3 121.600 121.600 127.291 -5.691 19185 8 1 1 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.137 -0.036 19185 9 1 1 . 1 1 3 3 LEU C C 3 178.488 178.488 178.463 0.025 19185 10 1 1 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.954 1.199 19185 11 1 1 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.629 -0.186 19185 12 1 1 . 1 1 3 3 LEU H H 3 8.997 8.997 8.844 0.153 19185 13 1 1 . 1 1 4 4 ILE N N 4 116.394 116.394 120.025 -3.631 19185 14 1 1 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.624 0.174 19185 15 1 1 . 1 1 4 4 ILE C C 4 176.847 176.847 177.905 -1.058 19185 16 1 1 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.758 -0.974 19185 17 1 1 . 1 1 4 4 ILE CB C 4 37.077 37.077 37.252 -0.175 19185 18 1 1 . 1 1 4 4 ILE H H 4 8.173 8.173 7.695 0.478 19185 19 1 1 . 1 1 5 5 GLU N N 5 118.842 118.842 119.333 -0.491 19185 20 1 1 . 1 1 5 5 GLU HA H 5 3.773 3.773 3.964 -0.191 19185 21 1 1 . 1 1 5 5 GLU C C 5 177.554 177.554 179.476 -1.922 19185 22 1 1 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.568 0.030 19185 23 1 1 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.915 -0.063 19185 24 1 1 . 1 1 5 5 GLU H H 5 7.394 7.394 7.627 -0.233 19185 25 1 1 . 1 1 6 6 LEU N N 6 117.867 117.867 119.727 -1.860 19185 26 1 1 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.005 -0.089 19185 27 1 1 . 1 1 6 6 LEU C C 6 177.832 177.832 179.225 -1.393 19185 28 1 1 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.643 0.370 19185 29 1 1 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.700 -0.090 19185 30 1 1 . 1 1 6 6 LEU H H 6 7.885 7.885 7.383 0.502 19185 31 1 1 . 1 1 7 7 LEU N N 7 117.636 117.636 119.821 -2.185 19185 32 1 1 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.895 -0.005 19185 33 1 1 . 1 1 7 7 LEU C C 7 178.135 178.135 179.361 -1.226 19185 34 1 1 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.007 -0.095 19185 35 1 1 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.646 -0.179 19185 36 1 1 . 1 1 7 7 LEU H H 7 8.328 8.328 8.079 0.249 19185 37 1 1 . 1 1 8 8 ILE N N 8 117.838 117.838 119.195 -1.357 19185 38 1 1 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.590 -0.021 19185 39 1 1 . 1 1 8 8 ILE C C 8 177.150 177.150 177.879 -0.729 19185 40 1 1 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.761 -0.559 19185 41 1 1 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.735 -0.520 19185 42 1 1 . 1 1 8 8 ILE H H 8 8.054 8.054 7.923 0.131 19185 43 1 1 . 1 1 9 9 VAL N N 9 118.866 118.866 119.819 -0.953 19185 44 1 1 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.556 -0.074 19185 45 1 1 . 1 1 9 9 VAL C C 9 177.352 177.352 178.087 -0.735 19185 46 1 1 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.188 0.445 19185 47 1 1 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.605 -0.323 19185 48 1 1 . 1 1 9 9 VAL H H 9 8.026 8.026 7.934 0.092 19185 49 1 1 . 1 1 10 10 VAL N N 10 118.095 118.095 118.866 -0.771 19185 50 1 1 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.570 -0.127 19185 51 1 1 . 1 1 10 10 VAL C C 10 176.948 176.948 177.077 -0.129 19185 52 1 1 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.120 1.014 19185 53 1 1 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.483 -0.504 19185 54 1 1 . 1 1 10 10 VAL H H 10 8.399 8.399 8.020 0.379 19185 55 1 1 . 1 1 11 11 ALA N N 11 121.128 121.128 122.324 -1.196 19185 56 1 1 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.059 -0.138 19185 57 1 1 . 1 1 11 11 ALA C C 11 178.816 178.816 179.591 -0.775 19185 58 1 1 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.245 0.095 19185 59 1 1 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.295 -0.627 19185 60 1 1 . 1 1 11 11 ALA H H 11 8.327 8.327 7.606 0.721 19185 61 1 1 . 1 1 12 12 ILE N N 12 116.336 116.336 115.911 0.425 19185 62 1 1 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.629 -0.067 19185 63 1 1 . 1 1 12 12 ILE C C 12 177.403 177.403 178.038 -0.635 19185 64 1 1 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.954 0.349 19185 65 1 1 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.700 -0.343 19185 66 1 1 . 1 1 12 12 ILE H H 12 8.275 8.275 8.101 0.174 19185 67 1 1 . 1 1 13 13 ILE N N 13 118.949 118.949 119.874 -0.925 19185 68 1 1 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.778 -0.230 19185 69 1 1 . 1 1 13 13 ILE C C 13 177.352 177.352 178.236 -0.884 19185 70 1 1 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.711 0.699 19185 71 1 1 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.126 -0.353 19185 72 1 1 . 1 1 13 13 ILE H H 13 8.313 8.313 7.954 0.359 19185 73 1 1 . 1 1 14 14 GLY N N 14 106.566 106.566 108.992 -2.426 19185 74 1 1 . 1 1 14 14 GLY C C 14 174.576 174.576 175.998 -1.422 19185 75 1 1 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.248 0.261 19185 76 1 1 . 1 1 14 14 GLY H H 14 8.656 8.656 7.774 0.882 19185 77 1 1 . 1 1 15 15 ILE N N 15 121.111 121.111 122.840 -1.729 19185 78 1 1 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.774 -0.148 19185 79 1 1 . 1 1 15 15 ILE C C 15 177.226 177.226 177.577 -0.351 19185 80 1 1 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.734 0.568 19185 81 1 1 . 1 1 15 15 ILE CB C 15 37.740 37.740 38.018 -0.278 19185 82 1 1 . 1 1 15 15 ILE H H 15 8.310 8.310 7.481 0.829 19185 83 1 1 . 1 1 16 16 LEU N N 16 117.956 117.956 119.925 -1.969 19185 84 1 1 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.848 0.118 19185 85 1 1 . 1 1 16 16 LEU C C 16 178.665 178.665 179.165 -0.500 19185 86 1 1 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.015 -0.306 19185 87 1 1 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.163 0.337 19185 88 1 1 . 1 1 16 16 LEU H H 16 8.250 8.250 7.835 0.415 19185 89 1 1 . 1 1 17 17 ALA N N 17 119.727 119.727 120.683 -0.956 19185 90 1 1 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.070 -0.154 19185 91 1 1 . 1 1 17 17 ALA C C 17 178.160 178.160 179.247 -1.087 19185 92 1 1 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.860 0.199 19185 93 1 1 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.038 -0.185 19185 94 1 1 . 1 1 17 17 ALA H H 17 8.640 8.640 8.165 0.475 19185 95 1 1 . 1 1 18 18 ALA N N 18 117.791 117.791 121.509 -3.718 19185 96 1 1 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.055 -0.015 19185 97 1 1 . 1 1 18 18 ALA C C 18 178.841 178.841 179.199 -0.358 19185 98 1 1 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.919 -0.473 19185 99 1 1 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.617 -0.448 19185 100 1 1 . 1 1 18 18 ALA H H 18 7.983 7.983 7.720 0.263 19185 101 1 1 . 1 1 19 19 ILE N N 19 112.844 112.844 114.577 -1.733 19185 102 1 1 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.171 -0.183 19185 103 1 1 . 1 1 19 19 ILE C C 19 176.696 176.696 177.579 -0.883 19185 104 1 1 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.758 0.266 19185 105 1 1 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.672 0.883 19185 106 1 1 . 1 1 19 19 ILE H H 19 7.701 7.701 7.671 0.030 19185 107 1 1 . 1 1 20 20 ALA N N 20 120.774 120.774 123.873 -3.099 19185 108 1 1 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.032 0.239 19185 109 1 1 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.140 -1.589 19185 110 1 1 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.175 1.708 19185 111 1 1 . 1 1 20 20 ALA H H 20 8.086 8.086 7.528 0.558 19185 112 1 1 . 1 1 21 21 ILE N N 21 117.619 117.619 118.676 -1.057 19185 113 1 1 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.901 0.323 19185 114 1 1 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.348 -3.722 19185 115 1 1 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.498 1.336 19185 116 1 1 . 1 1 21 21 ILE H H 21 8.056 8.056 8.091 -0.035 19185 117 1 1 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.229 0.155 19185 118 1 1 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.103 -0.894 19185 119 1 1 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.064 0.464 19185 120 1 1 . 1 1 23 23 GLN N N 23 115.494 115.494 118.502 -3.008 19185 121 1 1 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.112 0.088 19185 122 1 1 . 1 1 23 23 GLN C C 23 176.898 176.898 178.773 -1.875 19185 123 1 1 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.989 -1.563 19185 124 1 1 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.732 -0.695 19185 125 1 1 . 1 1 23 23 GLN H H 23 8.123 8.123 7.850 0.273 19185 126 1 1 . 1 1 24 24 PHE N N 24 118.541 118.541 119.513 -0.972 19185 127 1 1 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.564 0.108 19185 128 1 1 . 1 1 24 24 PHE C C 24 176.494 176.494 177.307 -0.813 19185 129 1 1 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.351 -1.034 19185 130 1 1 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.529 -0.617 19185 131 1 1 . 1 1 24 24 PHE H H 24 8.068 8.068 8.420 -0.352 19185 132 1 1 . 1 1 25 25 SER N N 25 115.228 115.228 116.801 -1.573 19185 133 1 1 . 1 1 25 25 SER HA H 25 4.278 4.278 3.955 0.323 19185 134 1 1 . 1 1 25 25 SER C C 25 175.308 175.308 176.580 -1.272 19185 135 1 1 . 1 1 25 25 SER CA C 25 60.288 60.288 62.415 -2.127 19185 136 1 1 . 1 1 25 25 SER CB C 25 63.278 63.278 63.133 0.145 19185 137 1 1 . 1 1 25 25 SER H H 25 8.081 8.081 8.428 -0.347 19185 138 1 1 . 1 1 26 26 ALA N N 26 123.792 123.792 122.311 1.481 19185 139 1 1 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.175 0.021 19185 140 1 1 . 1 1 26 26 ALA C C 26 178.387 178.387 179.199 -0.812 19185 141 1 1 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.467 -0.818 19185 142 1 1 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.221 0.247 19185 143 1 1 . 1 1 26 26 ALA H H 26 8.151 8.151 7.983 0.168 19185 144 1 1 . 1 1 27 27 TYR N N 27 116.956 116.956 120.380 -3.424 19185 145 1 1 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.167 0.213 19185 146 1 1 . 1 1 27 27 TYR C C 27 176.090 176.090 177.624 -1.534 19185 147 1 1 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.487 -2.526 19185 148 1 1 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.633 -0.263 19185 149 1 1 . 1 1 27 27 TYR H H 27 7.830 7.830 7.582 0.248 19185 150 1 1 . 1 1 28 28 ARG N N 28 119.962 119.962 118.249 1.713 19185 151 1 1 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.853 0.281 19185 152 1 1 . 1 1 28 28 ARG C C 28 176.595 176.595 178.856 -2.261 19185 153 1 1 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.224 -1.987 19185 154 1 1 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.897 0.575 19185 155 1 1 . 1 1 28 28 ARG H H 28 7.814 7.814 7.938 -0.124 19185 156 1 1 . 1 1 29 29 VAL N N 29 118.483 118.483 119.745 -1.262 19185 157 1 1 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.770 0.196 19185 158 1 1 . 1 1 29 29 VAL C C 29 176.545 176.545 177.285 -0.740 19185 159 1 1 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.260 -2.803 19185 160 1 1 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.344 0.872 19185 161 1 1 . 1 1 29 29 VAL H H 29 7.819 7.819 7.726 0.093 19185 162 1 1 . 1 1 30 30 LYS N N 30 122.256 122.256 119.621 2.635 19185 163 1 1 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.094 0.105 19185 164 1 1 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.354 -2.340 19185 165 1 1 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.895 0.742 19185 166 1 1 . 1 1 30 30 LYS H H 30 7.962 7.962 7.956 0.006 19185 167 1 1 . 1 1 31 31 ALA N N 31 122.625 122.625 122.317 0.308 19185 168 1 1 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.030 0.178 19185 169 1 1 . 1 1 31 31 ALA C C 31 177.680 177.680 179.228 -1.548 19185 170 1 1 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.396 -1.547 19185 171 1 1 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.752 1.278 19185 172 1 1 . 1 1 31 31 ALA H H 31 8.053 8.053 7.852 0.201 19185 173 1 1 . 1 1 32 32 TYR N N 32 118.444 118.444 120.194 -1.750 19185 174 1 1 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.066 0.382 19185 175 1 1 . 1 1 32 32 TYR C C 32 175.686 175.686 177.628 -1.942 19185 176 1 1 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.964 -3.388 19185 177 1 1 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.642 -0.171 19185 178 1 1 . 1 1 32 32 TYR H H 32 8.016 8.016 7.875 0.141 19185 179 1 1 . 1 1 33 33 ASN N N 33 119.421 119.421 116.388 3.033 19185 180 1 1 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.438 0.215 19185 181 1 1 . 1 1 33 33 ASN C C 33 175.510 175.510 177.832 -2.322 19185 182 1 1 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.700 -2.142 19185 183 1 1 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.930 0.861 19185 184 1 1 . 1 1 33 33 ASN H H 33 8.174 8.174 8.335 -0.161 19185 185 1 1 . 1 1 34 34 SER N N 34 116.151 116.151 117.495 -1.344 19185 186 1 1 . 1 1 34 34 SER HA H 34 4.359 4.359 4.098 0.261 19185 187 1 1 . 1 1 34 34 SER C C 34 174.727 174.727 175.854 -1.127 19185 188 1 1 . 1 1 34 34 SER CA C 34 59.127 59.127 61.512 -2.385 19185 189 1 1 . 1 1 34 34 SER CB C 34 63.582 63.582 62.926 0.656 19185 190 1 1 . 1 1 34 34 SER H H 34 8.143 8.143 8.238 -0.095 19185 191 1 1 . 1 1 35 35 ALA N N 35 125.119 125.119 123.175 1.944 19185 192 1 1 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.065 0.272 19185 193 1 1 . 1 1 35 35 ALA C C 35 177.807 177.807 179.253 -1.446 19185 194 1 1 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.666 -1.615 19185 195 1 1 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.150 0.812 19185 196 1 1 . 1 1 35 35 ALA H H 35 8.204 8.204 7.797 0.407 19185 197 1 1 . 1 1 36 36 ALA N N 36 121.508 121.508 120.980 0.528 19185 198 1 1 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.840 0.450 19185 199 1 1 . 1 1 36 36 ALA C C 36 178.059 178.059 179.512 -1.453 19185 200 1 1 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.925 -1.974 19185 201 1 1 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.881 1.149 19185 202 1 1 . 1 1 36 36 ALA H H 36 8.134 8.134 7.876 0.258 19185 203 1 1 . 1 1 37 37 SER N N 37 113.501 113.501 113.722 -0.221 19185 204 1 1 . 1 1 37 37 SER HA H 37 4.365 4.365 4.085 0.280 19185 205 1 1 . 1 1 37 37 SER C C 37 175.384 175.384 176.884 -1.500 19185 206 1 1 . 1 1 37 37 SER CA C 37 59.127 59.127 61.374 -2.247 19185 207 1 1 . 1 1 37 37 SER CB C 37 63.379 63.379 63.133 0.246 19185 208 1 1 . 1 1 37 37 SER H H 37 8.071 8.071 8.037 0.034 19185 209 1 1 . 1 1 38 38 SER N N 38 117.437 117.437 117.360 0.077 19185 210 1 1 . 1 1 38 38 SER HA H 38 4.371 4.371 4.119 0.252 19185 211 1 1 . 1 1 38 38 SER C C 38 174.828 174.828 176.453 -1.625 19185 212 1 1 . 1 1 38 38 SER CA C 38 59.485 59.485 62.102 -2.617 19185 213 1 1 . 1 1 38 38 SER CB C 38 63.379 63.379 63.052 0.327 19185 214 1 1 . 1 1 38 38 SER H H 38 8.170 8.170 7.950 0.220 19185 215 1 1 . 1 1 39 39 ASP N N 39 121.556 121.556 123.215 -1.659 19185 216 1 1 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.394 0.202 19185 217 1 1 . 1 1 39 39 ASP C C 39 177.226 177.226 178.044 -0.818 19185 218 1 1 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.174 -1.983 19185 219 1 1 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.874 -0.479 19185 220 1 1 . 1 1 39 39 ASP H H 39 8.216 8.216 7.979 0.237 19185 221 1 1 . 1 1 40 40 LEU N N 40 121.423 121.423 117.991 3.432 19185 222 1 1 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.128 0.054 19185 223 1 1 . 1 1 40 40 LEU C C 40 178.109 178.109 178.720 -0.611 19185 224 1 1 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.157 -0.455 19185 225 1 1 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.760 -0.252 19185 226 1 1 . 1 1 40 40 LEU H H 40 8.265 8.265 7.508 0.757 19185 227 1 1 . 1 1 41 41 ARG N N 41 119.425 119.425 117.811 1.614 19185 228 1 1 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.086 -0.026 19185 229 1 1 . 1 1 41 41 ARG C C 41 178.160 178.160 177.756 0.404 19185 230 1 1 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.392 -0.466 19185 231 1 1 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.578 -0.815 19185 232 1 1 . 1 1 41 41 ARG H H 41 8.109 8.109 8.042 0.067 19185 233 1 1 . 1 1 42 42 ASN N N 42 117.770 117.770 118.183 -0.413 19185 234 1 1 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.498 0.125 19185 235 1 1 . 1 1 42 42 ASN C C 42 177.049 177.049 178.057 -1.008 19185 236 1 1 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.241 -1.570 19185 237 1 1 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.464 -0.499 19185 238 1 1 . 1 1 42 42 ASN H H 42 8.239 8.239 8.049 0.190 19185 239 1 1 . 1 1 43 43 LEU N N 43 122.159 122.159 118.923 3.236 19185 240 1 1 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.136 0.022 19185 241 1 1 . 1 1 43 43 LEU C C 43 177.504 177.504 178.695 -1.191 19185 242 1 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.407 0.100 19185 243 1 1 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.879 -0.140 19185 244 1 1 . 1 1 43 43 LEU H H 43 8.048 8.048 7.628 0.420 19185 245 1 1 . 1 1 44 44 LYS N N 44 119.015 119.015 120.057 -1.042 19185 246 1 1 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.054 -0.158 19185 247 1 1 . 1 1 44 44 LYS C C 44 178.059 178.059 178.745 -0.686 19185 248 1 1 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.468 0.671 19185 249 1 1 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.289 0.107 19185 250 1 1 . 1 1 44 44 LYS H H 44 8.212 8.212 7.465 0.747 19185 251 1 1 . 1 1 45 45 THR N N 45 113.770 113.770 115.198 -1.428 19185 252 1 1 . 1 1 45 45 THR HA H 45 4.032 4.032 4.294 -0.262 19185 253 1 1 . 1 1 45 45 THR C C 45 176.469 176.469 176.301 0.168 19185 254 1 1 . 1 1 45 45 THR CA C 45 65.303 65.303 65.824 -0.521 19185 255 1 1 . 1 1 45 45 THR CB C 45 68.645 68.645 68.558 0.087 19185 256 1 1 . 1 1 45 45 THR H H 45 8.080 8.080 8.170 -0.090 19185 257 1 1 . 1 1 46 46 ALA N N 46 124.926 124.926 123.938 0.988 19185 258 1 1 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.169 0.004 19185 259 1 1 . 1 1 46 46 ALA C C 46 179.977 179.977 179.418 0.559 19185 260 1 1 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.922 -0.042 19185 261 1 1 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.015 0.213 19185 262 1 1 . 1 1 46 46 ALA H H 46 8.048 8.048 7.563 0.485 19185 263 1 1 . 1 1 47 47 LEU N N 47 118.030 118.030 119.960 -1.930 19185 264 1 1 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.151 -0.063 19185 265 1 1 . 1 1 47 47 LEU C C 47 177.832 177.832 178.898 -1.066 19185 266 1 1 . 1 1 47 47 LEU CA C 47 57.388 57.388 58.094 -0.706 19185 267 1 1 . 1 1 47 47 LEU CB C 47 41.812 41.812 42.185 -0.373 19185 268 1 1 . 1 1 47 47 LEU H H 47 8.257 8.257 7.762 0.495 19185 269 1 1 . 1 1 48 48 GLU N N 48 117.324 117.324 118.139 -0.815 19185 270 1 1 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.038 0.015 19185 271 1 1 . 1 1 48 48 GLU C C 48 178.690 178.690 179.380 -0.690 19185 272 1 1 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.552 -0.729 19185 273 1 1 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.380 -0.731 19185 274 1 1 . 1 1 48 48 GLU H H 48 8.282 8.282 8.514 -0.232 19185 275 1 1 . 1 1 49 49 SER N N 49 114.057 114.057 114.654 -0.597 19185 276 1 1 . 1 1 49 49 SER HA H 49 4.330 4.330 4.311 0.019 19185 277 1 1 . 1 1 49 49 SER C C 49 175.283 175.283 175.955 -0.672 19185 278 1 1 . 1 1 49 49 SER CA C 49 60.589 60.589 60.823 -0.234 19185 279 1 1 . 1 1 49 49 SER CB C 49 63.076 63.076 63.155 -0.079 19185 280 1 1 . 1 1 49 49 SER H H 49 8.059 8.059 7.756 0.303 19185 281 1 1 . 1 1 50 50 ALA N N 50 123.125 123.125 123.982 -0.857 19185 282 1 1 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.159 -0.009 19185 283 1 1 . 1 1 50 50 ALA C C 50 178.034 178.034 178.877 -0.843 19185 284 1 1 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.419 -0.659 19185 285 1 1 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.966 -0.442 19185 286 1 1 . 1 1 50 50 ALA H H 50 7.776 7.776 7.930 -0.154 19185 287 1 1 . 1 1 51 51 PHE N N 51 114.586 114.586 115.710 -1.124 19185 288 1 1 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.480 0.110 19185 289 1 1 . 1 1 51 51 PHE C C 51 175.560 175.560 175.366 0.194 19185 290 1 1 . 1 1 51 51 PHE CA C 51 57.941 57.941 58.393 -0.452 19185 291 1 1 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.783 -0.477 19185 292 1 1 . 1 1 51 51 PHE H H 51 7.782 7.782 7.973 -0.191 19185 293 1 1 . 1 1 52 52 ALA N N 52 122.550 122.550 121.118 1.432 19185 294 1 1 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.028 0.305 19185 295 1 1 . 1 1 52 52 ALA C C 52 177.529 177.529 178.529 -1.000 19185 296 1 1 . 1 1 52 52 ALA CA C 52 52.950 52.950 52.546 0.404 19185 297 1 1 . 1 1 52 52 ALA CB C 52 19.334 19.334 16.373 2.961 19185 298 1 1 . 1 1 52 52 ALA H H 52 7.731 7.731 7.476 0.255 19185 299 1 1 . 1 1 53 53 ASP N N 53 118.118 118.118 119.333 -1.215 19185 300 1 1 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.401 0.263 19185 301 1 1 . 1 1 53 53 ASP C C 53 175.686 175.686 177.887 -2.201 19185 302 1 1 . 1 1 53 53 ASP CA C 53 53.861 53.861 57.438 -3.577 19185 303 1 1 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.115 -0.997 19185 304 1 1 . 1 1 53 53 ASP H H 53 8.230 8.230 8.326 -0.096 19185 305 1 1 . 1 1 54 54 ASP N N 54 119.502 119.502 119.261 0.241 19185 306 1 1 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.493 0.171 19185 307 1 1 . 1 1 54 54 ASP CA C 54 53.861 53.861 57.301 -3.440 19185 308 1 1 . 1 1 54 54 ASP CB C 54 39.888 39.888 40.546 -0.658 19185 309 1 1 . 1 1 54 54 ASP H H 54 8.217 8.217 8.548 -0.331 19185 310 1 1 . 1 1 55 55 GLN N N 55 119.498 119.498 117.978 1.520 19185 311 1 1 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.094 0.229 19185 312 1 1 . 1 1 55 55 GLN C C 55 175.712 175.712 177.251 -1.539 19185 313 1 1 . 1 1 55 55 GLN CA C 55 55.812 55.812 58.272 -2.460 19185 314 1 1 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.426 0.932 19185 315 1 1 . 1 1 55 55 GLN H H 55 8.160 8.160 8.167 -0.007 19185 316 1 1 . 1 1 56 56 THR N N 56 114.937 114.937 113.715 1.222 19185 317 1 1 . 1 1 56 56 THR HA H 56 4.217 4.217 4.349 -0.132 19185 318 1 1 . 1 1 56 56 THR C C 56 173.642 173.642 173.733 -0.091 19185 319 1 1 . 1 1 56 56 THR CA C 56 61.962 61.962 63.224 -1.262 19185 320 1 1 . 1 1 56 56 THR CB C 56 69.556 69.556 69.139 0.416 19185 321 1 1 . 1 1 56 56 THR H H 56 7.999 7.999 7.701 0.298 19185 322 1 1 . 1 1 57 57 TYR N N 57 122.914 122.914 121.946 0.968 19185 323 1 1 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.806 0.031 19185 324 1 1 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.864 0.575 19185 325 1 1 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.507 -1.239 19185 326 1 1 . 1 1 57 57 TYR H H 57 8.113 8.113 7.518 0.595 19185 327 1 1 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.736 0.088 19185 328 1 1 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.530 1.446 19185 329 1 1 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.808 -1.020 19185 330 1 1 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.384 0.098 19185 331 1 1 . 1 1 59 59 PRO C C 59 176.873 176.873 176.346 0.527 19185 332 1 1 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.378 -0.467 19185 333 1 1 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.097 -0.106 19185 334 1 1 . 1 1 60 60 GLU N N 60 120.610 120.610 121.342 -0.732 19185 335 1 1 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.040 0.333 19185 336 1 1 . 1 1 60 60 GLU C C 60 175.459 175.459 175.947 -0.488 19185 337 1 1 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.851 -0.863 19185 338 1 1 . 1 1 60 60 GLU CB C 60 29.662 29.662 27.606 2.056 19185 339 1 1 . 1 1 60 60 GLU H H 60 8.410 8.410 8.784 -0.374 19185 340 1 2 . 1 1 2 2 THR N N 2 112.540 112.540 118.812 -6.272 19185 341 1 2 . 1 1 2 2 THR HA H 2 4.713 4.713 4.811 -0.098 19185 342 1 2 . 1 1 2 2 THR C C 2 174.853 174.853 175.340 -0.487 19185 343 1 2 . 1 1 2 2 THR CA C 2 59.734 59.734 60.904 -1.170 19185 344 1 2 . 1 1 2 2 THR CB C 2 71.378 71.378 70.226 1.152 19185 345 1 2 . 1 1 2 2 THR H H 2 8.189 8.189 8.426 -0.237 19185 346 1 2 . 1 1 3 3 LEU N N 3 121.600 121.600 126.911 -5.311 19185 347 1 2 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.090 0.011 19185 348 1 2 . 1 1 3 3 LEU C C 3 178.488 178.488 178.786 -0.298 19185 349 1 2 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.068 1.085 19185 350 1 2 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.971 -0.528 19185 351 1 2 . 1 1 3 3 LEU H H 3 8.997 8.997 9.027 -0.030 19185 352 1 2 . 1 1 4 4 ILE N N 4 116.394 116.394 119.368 -2.974 19185 353 1 2 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.730 0.068 19185 354 1 2 . 1 1 4 4 ILE C C 4 176.847 176.847 178.268 -1.421 19185 355 1 2 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.373 -0.588 19185 356 1 2 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.468 0.609 19185 357 1 2 . 1 1 4 4 ILE H H 4 8.173 8.173 7.502 0.671 19185 358 1 2 . 1 1 5 5 GLU N N 5 118.842 118.842 119.426 -0.584 19185 359 1 2 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.138 -0.365 19185 360 1 2 . 1 1 5 5 GLU C C 5 177.554 177.554 179.704 -2.150 19185 361 1 2 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.115 0.483 19185 362 1 2 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.070 -0.218 19185 363 1 2 . 1 1 5 5 GLU H H 5 7.394 7.394 7.799 -0.405 19185 364 1 2 . 1 1 6 6 LEU N N 6 117.867 117.867 119.958 -2.091 19185 365 1 2 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.061 -0.145 19185 366 1 2 . 1 1 6 6 LEU C C 6 177.832 177.832 179.268 -1.436 19185 367 1 2 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.710 0.303 19185 368 1 2 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.550 0.060 19185 369 1 2 . 1 1 6 6 LEU H H 6 7.885 7.885 7.994 -0.109 19185 370 1 2 . 1 1 7 7 LEU N N 7 117.636 117.636 120.451 -2.815 19185 371 1 2 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.053 -0.163 19185 372 1 2 . 1 1 7 7 LEU C C 7 178.135 178.135 178.784 -0.649 19185 373 1 2 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.931 -0.019 19185 374 1 2 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.835 -0.368 19185 375 1 2 . 1 1 7 7 LEU H H 7 8.328 8.328 7.754 0.574 19185 376 1 2 . 1 1 8 8 ILE N N 8 117.838 117.838 119.412 -1.574 19185 377 1 2 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.591 -0.022 19185 378 1 2 . 1 1 8 8 ILE C C 8 177.150 177.150 177.859 -0.709 19185 379 1 2 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.868 -0.666 19185 380 1 2 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.820 -0.605 19185 381 1 2 . 1 1 8 8 ILE H H 8 8.054 8.054 7.747 0.307 19185 382 1 2 . 1 1 9 9 VAL N N 9 118.866 118.866 120.129 -1.263 19185 383 1 2 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.574 -0.092 19185 384 1 2 . 1 1 9 9 VAL C C 9 177.352 177.352 177.880 -0.528 19185 385 1 2 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.252 0.380 19185 386 1 2 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.644 -0.362 19185 387 1 2 . 1 1 9 9 VAL H H 9 8.026 8.026 8.040 -0.014 19185 388 1 2 . 1 1 10 10 VAL N N 10 118.095 118.095 118.540 -0.445 19185 389 1 2 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.659 -0.216 19185 390 1 2 . 1 1 10 10 VAL C C 10 176.948 176.948 177.348 -0.400 19185 391 1 2 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.475 1.659 19185 392 1 2 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.616 -0.638 19185 393 1 2 . 1 1 10 10 VAL H H 10 8.399 8.399 7.936 0.463 19185 394 1 2 . 1 1 11 11 ALA N N 11 121.128 121.128 122.748 -1.620 19185 395 1 2 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.070 -0.149 19185 396 1 2 . 1 1 11 11 ALA C C 11 178.816 178.816 179.381 -0.565 19185 397 1 2 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.263 0.077 19185 398 1 2 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.358 -0.690 19185 399 1 2 . 1 1 11 11 ALA H H 11 8.327 8.327 7.616 0.711 19185 400 1 2 . 1 1 12 12 ILE N N 12 116.336 116.336 115.992 0.344 19185 401 1 2 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.669 -0.107 19185 402 1 2 . 1 1 12 12 ILE C C 12 177.403 177.403 177.939 -0.536 19185 403 1 2 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.931 0.372 19185 404 1 2 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.755 -0.398 19185 405 1 2 . 1 1 12 12 ILE H H 12 8.275 8.275 8.105 0.170 19185 406 1 2 . 1 1 13 13 ILE N N 13 118.949 118.949 120.036 -1.087 19185 407 1 2 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.744 -0.196 19185 408 1 2 . 1 1 13 13 ILE C C 13 177.352 177.352 178.325 -0.973 19185 409 1 2 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.858 0.552 19185 410 1 2 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.008 -0.236 19185 411 1 2 . 1 1 13 13 ILE H H 13 8.313 8.313 7.900 0.413 19185 412 1 2 . 1 1 14 14 GLY N N 14 106.566 106.566 108.923 -2.357 19185 413 1 2 . 1 1 14 14 GLY C C 14 174.576 174.576 175.913 -1.337 19185 414 1 2 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.230 0.279 19185 415 1 2 . 1 1 14 14 GLY H H 14 8.656 8.656 7.648 1.008 19185 416 1 2 . 1 1 15 15 ILE N N 15 121.111 121.111 122.906 -1.795 19185 417 1 2 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.747 -0.121 19185 418 1 2 . 1 1 15 15 ILE C C 15 177.226 177.226 177.634 -0.408 19185 419 1 2 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.772 0.530 19185 420 1 2 . 1 1 15 15 ILE CB C 15 37.740 37.740 38.010 -0.270 19185 421 1 2 . 1 1 15 15 ILE H H 15 8.310 8.310 7.483 0.827 19185 422 1 2 . 1 1 16 16 LEU N N 16 117.956 117.956 119.515 -1.559 19185 423 1 2 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.895 0.071 19185 424 1 2 . 1 1 16 16 LEU C C 16 178.665 178.665 179.199 -0.534 19185 425 1 2 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.840 -0.131 19185 426 1 2 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.026 0.474 19185 427 1 2 . 1 1 16 16 LEU H H 16 8.250 8.250 8.088 0.162 19185 428 1 2 . 1 1 17 17 ALA N N 17 119.727 119.727 121.482 -1.755 19185 429 1 2 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.035 -0.119 19185 430 1 2 . 1 1 17 17 ALA C C 17 178.160 178.160 179.174 -1.014 19185 431 1 2 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.969 0.090 19185 432 1 2 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.013 -0.160 19185 433 1 2 . 1 1 17 17 ALA H H 17 8.640 8.640 7.992 0.648 19185 434 1 2 . 1 1 18 18 ALA N N 18 117.791 117.791 120.889 -3.098 19185 435 1 2 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.082 -0.042 19185 436 1 2 . 1 1 18 18 ALA C C 18 178.841 178.841 179.068 -0.227 19185 437 1 2 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.801 -0.355 19185 438 1 2 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.635 -0.466 19185 439 1 2 . 1 1 18 18 ALA H H 18 7.983 7.983 7.764 0.219 19185 440 1 2 . 1 1 19 19 ILE N N 19 112.844 112.844 113.824 -0.980 19185 441 1 2 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.267 -0.279 19185 442 1 2 . 1 1 19 19 ILE C C 19 176.696 176.696 177.457 -0.761 19185 443 1 2 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.475 0.549 19185 444 1 2 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.880 0.675 19185 445 1 2 . 1 1 19 19 ILE H H 19 7.701 7.701 7.839 -0.138 19185 446 1 2 . 1 1 20 20 ALA N N 20 120.774 120.774 123.987 -3.213 19185 447 1 2 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.089 0.182 19185 448 1 2 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.104 -1.553 19185 449 1 2 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.216 1.667 19185 450 1 2 . 1 1 20 20 ALA H H 20 8.086 8.086 7.530 0.556 19185 451 1 2 . 1 1 21 21 ILE N N 21 117.619 117.619 118.847 -1.228 19185 452 1 2 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.920 0.304 19185 453 1 2 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.339 -3.713 19185 454 1 2 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.625 1.209 19185 455 1 2 . 1 1 21 21 ILE H H 21 8.056 8.056 8.037 0.019 19185 456 1 2 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.273 0.111 19185 457 1 2 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.005 -0.796 19185 458 1 2 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.080 0.448 19185 459 1 2 . 1 1 23 23 GLN N N 23 115.494 115.494 118.768 -3.274 19185 460 1 2 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.116 0.084 19185 461 1 2 . 1 1 23 23 GLN C C 23 176.898 176.898 178.599 -1.701 19185 462 1 2 . 1 1 23 23 GLN CA C 23 57.426 57.426 59.091 -1.665 19185 463 1 2 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.686 -0.649 19185 464 1 2 . 1 1 23 23 GLN H H 23 8.123 8.123 8.001 0.122 19185 465 1 2 . 1 1 24 24 PHE N N 24 118.541 118.541 119.624 -1.083 19185 466 1 2 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.525 0.147 19185 467 1 2 . 1 1 24 24 PHE C C 24 176.494 176.494 177.339 -0.845 19185 468 1 2 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.593 -1.276 19185 469 1 2 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.490 -0.578 19185 470 1 2 . 1 1 24 24 PHE H H 24 8.068 8.068 8.144 -0.076 19185 471 1 2 . 1 1 25 25 SER N N 25 115.228 115.228 116.863 -1.635 19185 472 1 2 . 1 1 25 25 SER HA H 25 4.278 4.278 3.934 0.344 19185 473 1 2 . 1 1 25 25 SER C C 25 175.308 175.308 176.580 -1.272 19185 474 1 2 . 1 1 25 25 SER CA C 25 60.288 60.288 62.476 -2.188 19185 475 1 2 . 1 1 25 25 SER CB C 25 63.278 63.278 63.153 0.125 19185 476 1 2 . 1 1 25 25 SER H H 25 8.081 8.081 8.481 -0.400 19185 477 1 2 . 1 1 26 26 ALA N N 26 123.792 123.792 122.617 1.175 19185 478 1 2 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.088 0.108 19185 479 1 2 . 1 1 26 26 ALA C C 26 178.387 178.387 179.199 -0.812 19185 480 1 2 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.711 -1.062 19185 481 1 2 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.111 0.357 19185 482 1 2 . 1 1 26 26 ALA H H 26 8.151 8.151 7.976 0.175 19185 483 1 2 . 1 1 27 27 TYR N N 27 116.956 116.956 120.056 -3.100 19185 484 1 2 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.089 0.291 19185 485 1 2 . 1 1 27 27 TYR C C 27 176.090 176.090 177.781 -1.691 19185 486 1 2 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.854 -2.893 19185 487 1 2 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.570 -0.200 19185 488 1 2 . 1 1 27 27 TYR H H 27 7.830 7.830 7.645 0.185 19185 489 1 2 . 1 1 28 28 ARG N N 28 119.962 119.962 118.102 1.860 19185 490 1 2 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.904 0.230 19185 491 1 2 . 1 1 28 28 ARG C C 28 176.595 176.595 178.865 -2.270 19185 492 1 2 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.144 -1.907 19185 493 1 2 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.946 0.526 19185 494 1 2 . 1 1 28 28 ARG H H 28 7.814 7.814 7.944 -0.130 19185 495 1 2 . 1 1 29 29 VAL N N 29 118.483 118.483 120.301 -1.818 19185 496 1 2 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.661 0.305 19185 497 1 2 . 1 1 29 29 VAL C C 29 176.545 176.545 177.488 -0.943 19185 498 1 2 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.287 -2.829 19185 499 1 2 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.383 0.833 19185 500 1 2 . 1 1 29 29 VAL H H 29 7.819 7.819 7.968 -0.149 19185 501 1 2 . 1 1 30 30 LYS N N 30 122.256 122.256 118.570 3.686 19185 502 1 2 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.117 0.082 19185 503 1 2 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.100 -2.086 19185 504 1 2 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.835 0.802 19185 505 1 2 . 1 1 30 30 LYS H H 30 7.962 7.962 7.774 0.188 19185 506 1 2 . 1 1 31 31 ALA N N 31 122.625 122.625 121.973 0.652 19185 507 1 2 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.084 0.124 19185 508 1 2 . 1 1 31 31 ALA C C 31 177.680 177.680 179.335 -1.655 19185 509 1 2 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.278 -1.429 19185 510 1 2 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.954 1.076 19185 511 1 2 . 1 1 31 31 ALA H H 31 8.053 8.053 7.815 0.238 19185 512 1 2 . 1 1 32 32 TYR N N 32 118.444 118.444 118.115 0.329 19185 513 1 2 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.231 0.217 19185 514 1 2 . 1 1 32 32 TYR C C 32 175.686 175.686 176.349 -0.663 19185 515 1 2 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.263 -2.687 19185 516 1 2 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.604 -0.133 19185 517 1 2 . 1 1 32 32 TYR H H 32 8.016 8.016 7.923 0.093 19185 518 1 2 . 1 1 33 33 ASN N N 33 119.421 119.421 116.252 3.169 19185 519 1 2 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.696 -0.043 19185 520 1 2 . 1 1 33 33 ASN C C 33 175.510 175.510 176.658 -1.148 19185 521 1 2 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.352 -1.794 19185 522 1 2 . 1 1 33 33 ASN CB C 33 38.791 38.791 39.614 -0.823 19185 523 1 2 . 1 1 33 33 ASN H H 33 8.174 8.174 7.443 0.731 19185 524 1 2 . 1 1 34 34 SER N N 34 116.151 116.151 116.802 -0.651 19185 525 1 2 . 1 1 34 34 SER HA H 34 4.359 4.359 4.127 0.232 19185 526 1 2 . 1 1 34 34 SER C C 34 174.727 174.727 175.935 -1.208 19185 527 1 2 . 1 1 34 34 SER CA C 34 59.127 59.127 61.569 -2.442 19185 528 1 2 . 1 1 34 34 SER CB C 34 63.582 63.582 63.169 0.413 19185 529 1 2 . 1 1 34 34 SER H H 34 8.143 8.143 8.244 -0.101 19185 530 1 2 . 1 1 35 35 ALA N N 35 125.119 125.119 123.367 1.752 19185 531 1 2 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.031 0.306 19185 532 1 2 . 1 1 35 35 ALA C C 35 177.807 177.807 179.165 -1.358 19185 533 1 2 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.882 -1.831 19185 534 1 2 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.017 0.945 19185 535 1 2 . 1 1 35 35 ALA H H 35 8.204 8.204 7.680 0.524 19185 536 1 2 . 1 1 36 36 ALA N N 36 121.508 121.508 120.919 0.589 19185 537 1 2 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.844 0.446 19185 538 1 2 . 1 1 36 36 ALA C C 36 178.059 178.059 179.718 -1.659 19185 539 1 2 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.769 -1.819 19185 540 1 2 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.079 0.951 19185 541 1 2 . 1 1 36 36 ALA H H 36 8.134 8.134 8.058 0.076 19185 542 1 2 . 1 1 37 37 SER N N 37 113.501 113.501 114.858 -1.357 19185 543 1 2 . 1 1 37 37 SER HA H 37 4.365 4.365 4.097 0.268 19185 544 1 2 . 1 1 37 37 SER C C 37 175.384 175.384 176.873 -1.489 19185 545 1 2 . 1 1 37 37 SER CA C 37 59.127 59.127 62.149 -3.022 19185 546 1 2 . 1 1 37 37 SER CB C 37 63.379 63.379 63.039 0.340 19185 547 1 2 . 1 1 37 37 SER H H 37 8.071 8.071 8.049 0.022 19185 548 1 2 . 1 1 38 38 SER N N 38 117.437 117.437 117.799 -0.362 19185 549 1 2 . 1 1 38 38 SER HA H 38 4.371 4.371 4.183 0.188 19185 550 1 2 . 1 1 38 38 SER C C 38 174.828 174.828 176.646 -1.818 19185 551 1 2 . 1 1 38 38 SER CA C 38 59.485 59.485 62.332 -2.847 19185 552 1 2 . 1 1 38 38 SER CB C 38 63.379 63.379 63.046 0.333 19185 553 1 2 . 1 1 38 38 SER H H 38 8.170 8.170 8.122 0.048 19185 554 1 2 . 1 1 39 39 ASP N N 39 121.556 121.556 122.980 -1.424 19185 555 1 2 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.392 0.204 19185 556 1 2 . 1 1 39 39 ASP C C 39 177.226 177.226 178.271 -1.045 19185 557 1 2 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.648 -2.457 19185 558 1 2 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.816 -0.421 19185 559 1 2 . 1 1 39 39 ASP H H 39 8.216 8.216 8.172 0.044 19185 560 1 2 . 1 1 40 40 LEU N N 40 121.423 121.423 119.469 1.954 19185 561 1 2 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.061 0.121 19185 562 1 2 . 1 1 40 40 LEU C C 40 178.109 178.109 179.594 -1.485 19185 563 1 2 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.762 -1.060 19185 564 1 2 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.372 0.136 19185 565 1 2 . 1 1 40 40 LEU H H 40 8.265 8.265 7.600 0.665 19185 566 1 2 . 1 1 41 41 ARG N N 41 119.425 119.425 118.939 0.486 19185 567 1 2 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.059 0.001 19185 568 1 2 . 1 1 41 41 ARG C C 41 178.160 178.160 178.525 -0.365 19185 569 1 2 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.644 -0.718 19185 570 1 2 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.942 -0.179 19185 571 1 2 . 1 1 41 41 ARG H H 41 8.109 8.109 8.430 -0.321 19185 572 1 2 . 1 1 42 42 ASN N N 42 117.770 117.770 119.202 -1.432 19185 573 1 2 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.536 0.087 19185 574 1 2 . 1 1 42 42 ASN C C 42 177.049 177.049 177.830 -0.781 19185 575 1 2 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.891 -1.220 19185 576 1 2 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.263 -0.298 19185 577 1 2 . 1 1 42 42 ASN H H 42 8.239 8.239 8.030 0.209 19185 578 1 2 . 1 1 43 43 LEU N N 43 122.159 122.159 119.987 2.172 19185 579 1 2 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.142 0.016 19185 580 1 2 . 1 1 43 43 LEU C C 43 177.504 177.504 178.517 -1.013 19185 581 1 2 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.470 0.037 19185 582 1 2 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.770 -0.031 19185 583 1 2 . 1 1 43 43 LEU H H 43 8.048 8.048 8.366 -0.318 19185 584 1 2 . 1 1 44 44 LYS N N 44 119.015 119.015 120.225 -1.210 19185 585 1 2 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.060 -0.164 19185 586 1 2 . 1 1 44 44 LYS C C 44 178.059 178.059 179.032 -0.973 19185 587 1 2 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.381 0.758 19185 588 1 2 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.172 0.224 19185 589 1 2 . 1 1 44 44 LYS H H 44 8.212 8.212 7.697 0.515 19185 590 1 2 . 1 1 45 45 THR N N 45 113.770 113.770 114.475 -0.705 19185 591 1 2 . 1 1 45 45 THR HA H 45 4.032 4.032 4.104 -0.072 19185 592 1 2 . 1 1 45 45 THR C C 45 176.469 176.469 176.075 0.394 19185 593 1 2 . 1 1 45 45 THR CA C 45 65.303 65.303 65.727 -0.424 19185 594 1 2 . 1 1 45 45 THR CB C 45 68.645 68.645 68.589 0.056 19185 595 1 2 . 1 1 45 45 THR H H 45 8.080 8.080 8.027 0.053 19185 596 1 2 . 1 1 46 46 ALA N N 46 124.926 124.926 124.503 0.423 19185 597 1 2 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.143 0.030 19185 598 1 2 . 1 1 46 46 ALA C C 46 179.977 179.977 179.619 0.358 19185 599 1 2 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.184 -0.303 19185 600 1 2 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.139 0.090 19185 601 1 2 . 1 1 46 46 ALA H H 46 8.048 8.048 7.518 0.530 19185 602 1 2 . 1 1 47 47 LEU N N 47 118.030 118.030 118.428 -0.398 19185 603 1 2 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.071 0.017 19185 604 1 2 . 1 1 47 47 LEU C C 47 177.832 177.832 179.275 -1.443 19185 605 1 2 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.656 -0.268 19185 606 1 2 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.414 0.398 19185 607 1 2 . 1 1 47 47 LEU H H 47 8.257 8.257 7.797 0.460 19185 608 1 2 . 1 1 48 48 GLU N N 48 117.324 117.324 119.982 -2.658 19185 609 1 2 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.122 -0.069 19185 610 1 2 . 1 1 48 48 GLU C C 48 178.690 178.690 179.111 -0.421 19185 611 1 2 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.341 -0.518 19185 612 1 2 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.323 -0.674 19185 613 1 2 . 1 1 48 48 GLU H H 48 8.282 8.282 8.257 0.025 19185 614 1 2 . 1 1 49 49 SER N N 49 114.057 114.057 115.214 -1.157 19185 615 1 2 . 1 1 49 49 SER HA H 49 4.330 4.330 4.213 0.117 19185 616 1 2 . 1 1 49 49 SER C C 49 175.283 175.283 176.758 -1.475 19185 617 1 2 . 1 1 49 49 SER CA C 49 60.589 60.589 61.120 -0.531 19185 618 1 2 . 1 1 49 49 SER CB C 49 63.076 63.076 62.985 0.091 19185 619 1 2 . 1 1 49 49 SER H H 49 8.059 8.059 8.104 -0.045 19185 620 1 2 . 1 1 50 50 ALA N N 50 123.125 123.125 124.347 -1.222 19185 621 1 2 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.124 0.026 19185 622 1 2 . 1 1 50 50 ALA C C 50 178.034 178.034 179.657 -1.623 19185 623 1 2 . 1 1 50 50 ALA CA C 50 53.760 53.760 55.005 -1.246 19185 624 1 2 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.253 0.271 19185 625 1 2 . 1 1 50 50 ALA H H 50 7.776 7.776 7.748 0.028 19185 626 1 2 . 1 1 51 51 PHE N N 51 114.586 114.586 118.574 -3.988 19185 627 1 2 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.294 0.296 19185 628 1 2 . 1 1 51 51 PHE C C 51 175.560 175.560 176.393 -0.833 19185 629 1 2 . 1 1 51 51 PHE CA C 51 57.941 57.941 58.981 -1.040 19185 630 1 2 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.475 -0.169 19185 631 1 2 . 1 1 51 51 PHE H H 51 7.782 7.782 7.881 -0.099 19185 632 1 2 . 1 1 52 52 ALA N N 52 122.550 122.550 122.019 0.531 19185 633 1 2 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.875 0.458 19185 634 1 2 . 1 1 52 52 ALA C C 52 177.529 177.529 178.176 -0.647 19185 635 1 2 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.320 -1.370 19185 636 1 2 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.517 0.817 19185 637 1 2 . 1 1 52 52 ALA H H 52 7.731 7.731 8.014 -0.283 19185 638 1 2 . 1 1 53 53 ASP N N 53 118.118 118.118 117.685 0.433 19185 639 1 2 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.326 0.338 19185 640 1 2 . 1 1 53 53 ASP C C 53 175.686 175.686 177.636 -1.950 19185 641 1 2 . 1 1 53 53 ASP CA C 53 53.861 53.861 57.404 -3.543 19185 642 1 2 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.033 -0.915 19185 643 1 2 . 1 1 53 53 ASP H H 53 8.230 8.230 7.768 0.462 19185 644 1 2 . 1 1 54 54 ASP N N 54 119.502 119.502 115.733 3.769 19185 645 1 2 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.407 0.257 19185 646 1 2 . 1 1 54 54 ASP CA C 54 53.861 53.861 55.611 -1.750 19185 647 1 2 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.002 -1.113 19185 648 1 2 . 1 1 54 54 ASP H H 54 8.217 8.217 7.875 0.342 19185 649 1 2 . 1 1 55 55 GLN N N 55 119.498 119.498 115.551 3.947 19185 650 1 2 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.444 -0.121 19185 651 1 2 . 1 1 55 55 GLN C C 55 175.712 175.712 176.513 -0.801 19185 652 1 2 . 1 1 55 55 GLN CA C 55 55.812 55.812 54.737 1.075 19185 653 1 2 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.506 0.852 19185 654 1 2 . 1 1 55 55 GLN H H 55 8.160 8.160 7.146 1.014 19185 655 1 2 . 1 1 56 56 THR N N 56 114.937 114.937 112.947 1.990 19185 656 1 2 . 1 1 56 56 THR HA H 56 4.217 4.217 4.025 0.192 19185 657 1 2 . 1 1 56 56 THR C C 56 173.642 173.642 174.986 -1.344 19185 658 1 2 . 1 1 56 56 THR CA C 56 61.962 61.962 64.606 -2.644 19185 659 1 2 . 1 1 56 56 THR CB C 56 69.556 69.556 69.128 0.428 19185 660 1 2 . 1 1 56 56 THR H H 56 7.999 7.999 7.754 0.245 19185 661 1 2 . 1 1 57 57 TYR N N 57 122.914 122.914 122.251 0.663 19185 662 1 2 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.739 0.098 19185 663 1 2 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.861 0.578 19185 664 1 2 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.562 -1.294 19185 665 1 2 . 1 1 57 57 TYR H H 57 8.113 8.113 7.830 0.283 19185 666 1 2 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.569 0.255 19185 667 1 2 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.415 1.561 19185 668 1 2 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.705 -0.917 19185 669 1 2 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.104 0.378 19185 670 1 2 . 1 1 59 59 PRO C C 59 176.873 176.873 175.798 1.075 19185 671 1 2 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.109 -0.199 19185 672 1 2 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.116 0.874 19185 673 1 2 . 1 1 60 60 GLU N N 60 120.610 120.610 124.772 -4.162 19185 674 1 2 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.148 0.225 19185 675 1 2 . 1 1 60 60 GLU C C 60 175.459 175.459 175.461 -0.002 19185 676 1 2 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.797 -0.809 19185 677 1 2 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.413 0.249 19185 678 1 2 . 1 1 60 60 GLU H H 60 8.410 8.410 8.229 0.181 19185 679 1 3 . 1 1 2 2 THR N N 2 112.540 112.540 118.084 -5.544 19185 680 1 3 . 1 1 2 2 THR HA H 2 4.713 4.713 4.585 0.128 19185 681 1 3 . 1 1 2 2 THR C C 2 174.853 174.853 173.764 1.089 19185 682 1 3 . 1 1 2 2 THR CA C 2 59.734 59.734 61.470 -1.736 19185 683 1 3 . 1 1 2 2 THR CB C 2 71.378 71.378 70.907 0.471 19185 684 1 3 . 1 1 2 2 THR H H 2 8.189 8.189 8.349 -0.160 19185 685 1 3 . 1 1 3 3 LEU N N 3 121.600 121.600 124.870 -3.270 19185 686 1 3 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.242 -0.141 19185 687 1 3 . 1 1 3 3 LEU C C 3 178.488 178.488 178.151 0.337 19185 688 1 3 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.615 1.538 19185 689 1 3 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.962 -0.519 19185 690 1 3 . 1 1 3 3 LEU H H 3 8.997 8.997 8.889 0.108 19185 691 1 3 . 1 1 4 4 ILE N N 4 116.394 116.394 119.579 -3.185 19185 692 1 3 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.747 0.051 19185 693 1 3 . 1 1 4 4 ILE C C 4 176.847 176.847 178.167 -1.320 19185 694 1 3 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.168 -0.384 19185 695 1 3 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.571 0.506 19185 696 1 3 . 1 1 4 4 ILE H H 4 8.173 8.173 7.670 0.503 19185 697 1 3 . 1 1 5 5 GLU N N 5 118.842 118.842 119.810 -0.968 19185 698 1 3 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.058 -0.285 19185 699 1 3 . 1 1 5 5 GLU C C 5 177.554 177.554 179.570 -2.016 19185 700 1 3 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.467 0.131 19185 701 1 3 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.961 -0.109 19185 702 1 3 . 1 1 5 5 GLU H H 5 7.394 7.394 7.753 -0.359 19185 703 1 3 . 1 1 6 6 LEU N N 6 117.867 117.867 119.922 -2.055 19185 704 1 3 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.021 -0.105 19185 705 1 3 . 1 1 6 6 LEU C C 6 177.832 177.832 179.161 -1.329 19185 706 1 3 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.592 0.421 19185 707 1 3 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.602 0.008 19185 708 1 3 . 1 1 6 6 LEU H H 6 7.885 7.885 7.451 0.434 19185 709 1 3 . 1 1 7 7 LEU N N 7 117.636 117.636 120.415 -2.779 19185 710 1 3 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.978 -0.088 19185 711 1 3 . 1 1 7 7 LEU C C 7 178.135 178.135 178.871 -0.736 19185 712 1 3 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.135 -0.223 19185 713 1 3 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.755 -0.288 19185 714 1 3 . 1 1 7 7 LEU H H 7 8.328 8.328 7.934 0.394 19185 715 1 3 . 1 1 8 8 ILE N N 8 117.838 117.838 118.716 -0.878 19185 716 1 3 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.620 -0.051 19185 717 1 3 . 1 1 8 8 ILE C C 8 177.150 177.150 177.921 -0.771 19185 718 1 3 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.677 -0.475 19185 719 1 3 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.858 -0.643 19185 720 1 3 . 1 1 8 8 ILE H H 8 8.054 8.054 7.878 0.176 19185 721 1 3 . 1 1 9 9 VAL N N 9 118.866 118.866 120.529 -1.663 19185 722 1 3 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.560 -0.078 19185 723 1 3 . 1 1 9 9 VAL C C 9 177.352 177.352 177.922 -0.570 19185 724 1 3 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.294 0.338 19185 725 1 3 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.616 -0.335 19185 726 1 3 . 1 1 9 9 VAL H H 9 8.026 8.026 7.968 0.057 19185 727 1 3 . 1 1 10 10 VAL N N 10 118.095 118.095 119.126 -1.031 19185 728 1 3 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.580 -0.137 19185 729 1 3 . 1 1 10 10 VAL C C 10 176.948 176.948 177.828 -0.880 19185 730 1 3 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.446 0.688 19185 731 1 3 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.370 -0.393 19185 732 1 3 . 1 1 10 10 VAL H H 10 8.399 8.399 8.235 0.164 19185 733 1 3 . 1 1 11 11 ALA N N 11 121.128 121.128 122.652 -1.524 19185 734 1 3 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.073 -0.152 19185 735 1 3 . 1 1 11 11 ALA C C 11 178.816 178.816 179.467 -0.651 19185 736 1 3 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.294 0.046 19185 737 1 3 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.282 -0.614 19185 738 1 3 . 1 1 11 11 ALA H H 11 8.327 8.327 7.705 0.622 19185 739 1 3 . 1 1 12 12 ILE N N 12 116.336 116.336 115.462 0.874 19185 740 1 3 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.717 -0.155 19185 741 1 3 . 1 1 12 12 ILE C C 12 177.403 177.403 178.000 -0.597 19185 742 1 3 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.787 0.517 19185 743 1 3 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.797 -0.440 19185 744 1 3 . 1 1 12 12 ILE H H 12 8.275 8.275 7.982 0.293 19185 745 1 3 . 1 1 13 13 ILE N N 13 118.949 118.949 120.392 -1.443 19185 746 1 3 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.746 -0.198 19185 747 1 3 . 1 1 13 13 ILE C C 13 177.352 177.352 178.257 -0.905 19185 748 1 3 . 1 1 13 13 ILE CA C 13 65.410 65.410 65.014 0.396 19185 749 1 3 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.122 -0.350 19185 750 1 3 . 1 1 13 13 ILE H H 13 8.313 8.313 8.031 0.282 19185 751 1 3 . 1 1 14 14 GLY N N 14 106.566 106.566 108.807 -2.241 19185 752 1 3 . 1 1 14 14 GLY C C 14 174.576 174.576 176.009 -1.433 19185 753 1 3 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.275 0.234 19185 754 1 3 . 1 1 14 14 GLY H H 14 8.656 8.656 7.782 0.874 19185 755 1 3 . 1 1 15 15 ILE N N 15 121.111 121.111 122.911 -1.800 19185 756 1 3 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.724 -0.098 19185 757 1 3 . 1 1 15 15 ILE C C 15 177.226 177.226 177.652 -0.426 19185 758 1 3 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.858 0.444 19185 759 1 3 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.980 -0.240 19185 760 1 3 . 1 1 15 15 ILE H H 15 8.310 8.310 7.480 0.830 19185 761 1 3 . 1 1 16 16 LEU N N 16 117.956 117.956 119.544 -1.588 19185 762 1 3 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.961 0.005 19185 763 1 3 . 1 1 16 16 LEU C C 16 178.665 178.665 179.184 -0.519 19185 764 1 3 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.794 -0.085 19185 765 1 3 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.125 0.375 19185 766 1 3 . 1 1 16 16 LEU H H 16 8.250 8.250 7.764 0.486 19185 767 1 3 . 1 1 17 17 ALA N N 17 119.727 119.727 121.559 -1.832 19185 768 1 3 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.114 -0.198 19185 769 1 3 . 1 1 17 17 ALA C C 17 178.160 178.160 179.284 -1.124 19185 770 1 3 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.970 0.089 19185 771 1 3 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.052 -0.199 19185 772 1 3 . 1 1 17 17 ALA H H 17 8.640 8.640 8.259 0.381 19185 773 1 3 . 1 1 18 18 ALA N N 18 117.791 117.791 121.483 -3.692 19185 774 1 3 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.083 -0.043 19185 775 1 3 . 1 1 18 18 ALA C C 18 178.841 178.841 179.083 -0.242 19185 776 1 3 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.868 -0.422 19185 777 1 3 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.639 -0.470 19185 778 1 3 . 1 1 18 18 ALA H H 18 7.983 7.983 7.918 0.065 19185 779 1 3 . 1 1 19 19 ILE N N 19 112.844 112.844 114.626 -1.782 19185 780 1 3 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.151 -0.163 19185 781 1 3 . 1 1 19 19 ILE C C 19 176.696 176.696 177.549 -0.853 19185 782 1 3 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.722 0.302 19185 783 1 3 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.695 0.860 19185 784 1 3 . 1 1 19 19 ILE H H 19 7.701 7.701 7.754 -0.053 19185 785 1 3 . 1 1 20 20 ALA N N 20 120.774 120.774 123.710 -2.936 19185 786 1 3 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.007 0.264 19185 787 1 3 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.134 -1.583 19185 788 1 3 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.432 1.451 19185 789 1 3 . 1 1 20 20 ALA H H 20 8.086 8.086 7.542 0.544 19185 790 1 3 . 1 1 21 21 ILE N N 21 117.619 117.619 118.573 -0.954 19185 791 1 3 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.857 0.366 19185 792 1 3 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.192 -4.566 19185 793 1 3 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.755 1.079 19185 794 1 3 . 1 1 21 21 ILE H H 21 8.056 8.056 8.243 -0.187 19185 795 1 3 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.233 0.151 19185 796 1 3 . 1 1 22 22 PRO CA C 22 65.209 65.209 65.983 -0.774 19185 797 1 3 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.945 0.583 19185 798 1 3 . 1 1 23 23 GLN N N 23 115.494 115.494 118.804 -3.310 19185 799 1 3 . 1 1 23 23 GLN HA H 23 4.200 4.200 3.974 0.226 19185 800 1 3 . 1 1 23 23 GLN C C 23 176.898 176.898 178.342 -1.444 19185 801 1 3 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.820 -1.394 19185 802 1 3 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.386 -0.349 19185 803 1 3 . 1 1 23 23 GLN H H 23 8.123 8.123 7.686 0.437 19185 804 1 3 . 1 1 24 24 PHE N N 24 118.541 118.541 117.362 1.179 19185 805 1 3 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.689 -0.017 19185 806 1 3 . 1 1 24 24 PHE C C 24 176.494 176.494 177.681 -1.187 19185 807 1 3 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.893 -1.576 19185 808 1 3 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.540 -0.628 19185 809 1 3 . 1 1 24 24 PHE H H 24 8.068 8.068 8.216 -0.148 19185 810 1 3 . 1 1 25 25 SER N N 25 115.228 115.228 116.549 -1.321 19185 811 1 3 . 1 1 25 25 SER HA H 25 4.278 4.278 4.168 0.110 19185 812 1 3 . 1 1 25 25 SER C C 25 175.308 175.308 176.709 -1.401 19185 813 1 3 . 1 1 25 25 SER CA C 25 60.288 60.288 61.848 -1.560 19185 814 1 3 . 1 1 25 25 SER CB C 25 63.278 63.278 63.137 0.141 19185 815 1 3 . 1 1 25 25 SER H H 25 8.081 8.081 8.608 -0.527 19185 816 1 3 . 1 1 26 26 ALA N N 26 123.792 123.792 122.990 0.802 19185 817 1 3 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.159 0.037 19185 818 1 3 . 1 1 26 26 ALA C C 26 178.387 178.387 179.175 -0.788 19185 819 1 3 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.720 -1.071 19185 820 1 3 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.151 0.317 19185 821 1 3 . 1 1 26 26 ALA H H 26 8.151 8.151 7.967 0.184 19185 822 1 3 . 1 1 27 27 TYR N N 27 116.956 116.956 120.687 -3.731 19185 823 1 3 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.159 0.221 19185 824 1 3 . 1 1 27 27 TYR C C 27 176.090 176.090 177.279 -1.189 19185 825 1 3 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.357 -2.396 19185 826 1 3 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.589 -0.219 19185 827 1 3 . 1 1 27 27 TYR H H 27 7.830 7.830 7.530 0.300 19185 828 1 3 . 1 1 28 28 ARG N N 28 119.962 119.962 118.467 1.495 19185 829 1 3 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.920 0.214 19185 830 1 3 . 1 1 28 28 ARG C C 28 176.595 176.595 178.826 -2.231 19185 831 1 3 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.265 -2.028 19185 832 1 3 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.792 0.680 19185 833 1 3 . 1 1 28 28 ARG H H 28 7.814 7.814 8.111 -0.297 19185 834 1 3 . 1 1 29 29 VAL N N 29 118.483 118.483 120.773 -2.290 19185 835 1 3 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.819 0.147 19185 836 1 3 . 1 1 29 29 VAL C C 29 176.545 176.545 177.391 -0.846 19185 837 1 3 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.882 -2.425 19185 838 1 3 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.399 0.817 19185 839 1 3 . 1 1 29 29 VAL H H 29 7.819 7.819 7.654 0.165 19185 840 1 3 . 1 1 30 30 LYS N N 30 122.256 122.256 120.238 2.018 19185 841 1 3 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.090 0.109 19185 842 1 3 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.620 -2.606 19185 843 1 3 . 1 1 30 30 LYS CB C 30 32.637 32.637 32.017 0.620 19185 844 1 3 . 1 1 30 30 LYS H H 30 7.962 7.962 8.099 -0.137 19185 845 1 3 . 1 1 31 31 ALA N N 31 122.625 122.625 121.666 0.959 19185 846 1 3 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.107 0.101 19185 847 1 3 . 1 1 31 31 ALA C C 31 177.680 177.680 179.331 -1.651 19185 848 1 3 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.205 -1.356 19185 849 1 3 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.722 1.308 19185 850 1 3 . 1 1 31 31 ALA H H 31 8.053 8.053 8.145 -0.092 19185 851 1 3 . 1 1 32 32 TYR N N 32 118.444 118.444 120.689 -2.245 19185 852 1 3 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.047 0.401 19185 853 1 3 . 1 1 32 32 TYR C C 32 175.686 175.686 177.666 -1.980 19185 854 1 3 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.626 -3.050 19185 855 1 3 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.514 -0.043 19185 856 1 3 . 1 1 32 32 TYR H H 32 8.016 8.016 7.752 0.264 19185 857 1 3 . 1 1 33 33 ASN N N 33 119.421 119.421 116.478 2.943 19185 858 1 3 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.274 0.379 19185 859 1 3 . 1 1 33 33 ASN C C 33 175.510 175.510 177.831 -2.321 19185 860 1 3 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.740 -3.182 19185 861 1 3 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.218 0.573 19185 862 1 3 . 1 1 33 33 ASN H H 33 8.174 8.174 8.056 0.118 19185 863 1 3 . 1 1 34 34 SER N N 34 116.151 116.151 116.789 -0.638 19185 864 1 3 . 1 1 34 34 SER HA H 34 4.359 4.359 4.169 0.190 19185 865 1 3 . 1 1 34 34 SER C C 34 174.727 174.727 176.109 -1.382 19185 866 1 3 . 1 1 34 34 SER CA C 34 59.127 59.127 61.343 -2.216 19185 867 1 3 . 1 1 34 34 SER CB C 34 63.582 63.582 63.097 0.485 19185 868 1 3 . 1 1 34 34 SER H H 34 8.143 8.143 8.123 0.020 19185 869 1 3 . 1 1 35 35 ALA N N 35 125.119 125.119 123.076 2.043 19185 870 1 3 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.106 0.231 19185 871 1 3 . 1 1 35 35 ALA C C 35 177.807 177.807 179.324 -1.517 19185 872 1 3 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.634 -1.583 19185 873 1 3 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.272 0.690 19185 874 1 3 . 1 1 35 35 ALA H H 35 8.204 8.204 7.758 0.446 19185 875 1 3 . 1 1 36 36 ALA N N 36 121.508 121.508 121.002 0.506 19185 876 1 3 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.885 0.405 19185 877 1 3 . 1 1 36 36 ALA C C 36 178.059 178.059 179.534 -1.475 19185 878 1 3 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.955 -2.005 19185 879 1 3 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.975 1.055 19185 880 1 3 . 1 1 36 36 ALA H H 36 8.134 8.134 8.007 0.127 19185 881 1 3 . 1 1 37 37 SER N N 37 113.501 113.501 114.276 -0.775 19185 882 1 3 . 1 1 37 37 SER HA H 37 4.365 4.365 3.991 0.374 19185 883 1 3 . 1 1 37 37 SER C C 37 175.384 175.384 176.868 -1.484 19185 884 1 3 . 1 1 37 37 SER CA C 37 59.127 59.127 62.035 -2.909 19185 885 1 3 . 1 1 37 37 SER CB C 37 63.379 63.379 62.961 0.418 19185 886 1 3 . 1 1 37 37 SER H H 37 8.071 8.071 7.955 0.116 19185 887 1 3 . 1 1 38 38 SER N N 38 117.437 117.437 116.282 1.155 19185 888 1 3 . 1 1 38 38 SER HA H 38 4.371 4.371 4.194 0.177 19185 889 1 3 . 1 1 38 38 SER C C 38 174.828 174.828 176.294 -1.466 19185 890 1 3 . 1 1 38 38 SER CA C 38 59.485 59.485 60.593 -1.108 19185 891 1 3 . 1 1 38 38 SER CB C 38 63.379 63.379 63.073 0.306 19185 892 1 3 . 1 1 38 38 SER H H 38 8.170 8.170 7.693 0.477 19185 893 1 3 . 1 1 39 39 ASP N N 39 121.556 121.556 122.954 -1.398 19185 894 1 3 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.340 0.256 19185 895 1 3 . 1 1 39 39 ASP C C 39 177.226 177.226 178.269 -1.043 19185 896 1 3 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.543 -2.352 19185 897 1 3 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.929 -0.534 19185 898 1 3 . 1 1 39 39 ASP H H 39 8.216 8.216 8.006 0.210 19185 899 1 3 . 1 1 40 40 LEU N N 40 121.423 121.423 116.807 4.616 19185 900 1 3 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.318 -0.136 19185 901 1 3 . 1 1 40 40 LEU C C 40 178.109 178.109 178.897 -0.788 19185 902 1 3 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.562 -0.860 19185 903 1 3 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.320 0.188 19185 904 1 3 . 1 1 40 40 LEU H H 40 8.265 8.265 7.670 0.595 19185 905 1 3 . 1 1 41 41 ARG N N 41 119.425 119.425 119.721 -0.296 19185 906 1 3 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.902 0.158 19185 907 1 3 . 1 1 41 41 ARG C C 41 178.160 178.160 177.969 0.191 19185 908 1 3 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.784 -0.858 19185 909 1 3 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.236 -0.473 19185 910 1 3 . 1 1 41 41 ARG H H 41 8.109 8.109 7.827 0.281 19185 911 1 3 . 1 1 42 42 ASN N N 42 117.770 117.770 118.803 -1.033 19185 912 1 3 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.543 0.080 19185 913 1 3 . 1 1 42 42 ASN C C 42 177.049 177.049 177.972 -0.923 19185 914 1 3 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.902 -1.231 19185 915 1 3 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.272 -0.307 19185 916 1 3 . 1 1 42 42 ASN H H 42 8.239 8.239 8.123 0.116 19185 917 1 3 . 1 1 43 43 LEU N N 43 122.159 122.159 119.515 2.644 19185 918 1 3 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.103 0.055 19185 919 1 3 . 1 1 43 43 LEU C C 43 177.504 177.504 178.824 -1.320 19185 920 1 3 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.345 0.162 19185 921 1 3 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.748 -0.009 19185 922 1 3 . 1 1 43 43 LEU H H 43 8.048 8.048 8.085 -0.037 19185 923 1 3 . 1 1 44 44 LYS N N 44 119.015 119.015 119.773 -0.758 19185 924 1 3 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.131 -0.235 19185 925 1 3 . 1 1 44 44 LYS C C 44 178.059 178.059 178.657 -0.598 19185 926 1 3 . 1 1 44 44 LYS CA C 44 60.139 60.139 58.855 1.284 19185 927 1 3 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.920 0.476 19185 928 1 3 . 1 1 44 44 LYS H H 44 8.212 8.212 7.445 0.767 19185 929 1 3 . 1 1 45 45 THR N N 45 113.770 113.770 114.758 -0.988 19185 930 1 3 . 1 1 45 45 THR HA H 45 4.032 4.032 4.368 -0.336 19185 931 1 3 . 1 1 45 45 THR C C 45 176.469 176.469 176.426 0.043 19185 932 1 3 . 1 1 45 45 THR CA C 45 65.303 65.303 65.716 -0.413 19185 933 1 3 . 1 1 45 45 THR CB C 45 68.645 68.645 68.562 0.083 19185 934 1 3 . 1 1 45 45 THR H H 45 8.080 8.080 7.959 0.121 19185 935 1 3 . 1 1 46 46 ALA N N 46 124.926 124.926 124.245 0.681 19185 936 1 3 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.214 -0.041 19185 937 1 3 . 1 1 46 46 ALA C C 46 179.977 179.977 179.454 0.523 19185 938 1 3 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.812 0.068 19185 939 1 3 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.275 -0.047 19185 940 1 3 . 1 1 46 46 ALA H H 46 8.048 8.048 7.784 0.264 19185 941 1 3 . 1 1 47 47 LEU N N 47 118.030 118.030 119.837 -1.807 19185 942 1 3 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.067 0.021 19185 943 1 3 . 1 1 47 47 LEU C C 47 177.832 177.832 178.515 -0.683 19185 944 1 3 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.770 -0.382 19185 945 1 3 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.933 -0.121 19185 946 1 3 . 1 1 47 47 LEU H H 47 8.257 8.257 7.623 0.634 19185 947 1 3 . 1 1 48 48 GLU N N 48 117.324 117.324 118.065 -0.741 19185 948 1 3 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.106 -0.053 19185 949 1 3 . 1 1 48 48 GLU C C 48 178.690 178.690 179.068 -0.378 19185 950 1 3 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.335 -0.512 19185 951 1 3 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.154 -0.505 19185 952 1 3 . 1 1 48 48 GLU H H 48 8.282 8.282 8.536 -0.254 19185 953 1 3 . 1 1 49 49 SER N N 49 114.057 114.057 116.058 -2.001 19185 954 1 3 . 1 1 49 49 SER HA H 49 4.330 4.330 4.259 0.071 19185 955 1 3 . 1 1 49 49 SER C C 49 175.283 175.283 176.593 -1.310 19185 956 1 3 . 1 1 49 49 SER CA C 49 60.589 60.589 61.047 -0.458 19185 957 1 3 . 1 1 49 49 SER CB C 49 63.076 63.076 62.763 0.313 19185 958 1 3 . 1 1 49 49 SER H H 49 8.059 8.059 7.865 0.194 19185 959 1 3 . 1 1 50 50 ALA N N 50 123.125 123.125 125.331 -2.206 19185 960 1 3 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.396 -0.246 19185 961 1 3 . 1 1 50 50 ALA C C 50 178.034 178.034 179.086 -1.052 19185 962 1 3 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.508 -0.748 19185 963 1 3 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.636 -0.112 19185 964 1 3 . 1 1 50 50 ALA H H 50 7.776 7.776 7.802 -0.026 19185 965 1 3 . 1 1 51 51 PHE N N 51 114.586 114.586 118.478 -3.892 19185 966 1 3 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.311 0.279 19185 967 1 3 . 1 1 51 51 PHE C C 51 175.560 175.560 176.156 -0.596 19185 968 1 3 . 1 1 51 51 PHE CA C 51 57.941 57.941 58.921 -0.980 19185 969 1 3 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.571 -0.265 19185 970 1 3 . 1 1 51 51 PHE H H 51 7.782 7.782 8.223 -0.441 19185 971 1 3 . 1 1 52 52 ALA N N 52 122.550 122.550 122.495 0.055 19185 972 1 3 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.904 0.429 19185 973 1 3 . 1 1 52 52 ALA C C 52 177.529 177.529 178.613 -1.084 19185 974 1 3 . 1 1 52 52 ALA CA C 52 52.950 52.950 55.440 -2.490 19185 975 1 3 . 1 1 52 52 ALA CB C 52 19.334 19.334 17.963 1.371 19185 976 1 3 . 1 1 52 52 ALA H H 52 7.731 7.731 7.725 0.006 19185 977 1 3 . 1 1 53 53 ASP N N 53 118.118 118.118 116.750 1.368 19185 978 1 3 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.553 0.111 19185 979 1 3 . 1 1 53 53 ASP C C 53 175.686 175.686 178.612 -2.926 19185 980 1 3 . 1 1 53 53 ASP CA C 53 53.861 53.861 55.567 -1.706 19185 981 1 3 . 1 1 53 53 ASP CB C 53 40.118 40.118 40.503 -0.385 19185 982 1 3 . 1 1 53 53 ASP H H 53 8.230 8.230 7.877 0.353 19185 983 1 3 . 1 1 54 54 ASP N N 54 119.502 119.502 120.663 -1.161 19185 984 1 3 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.300 0.364 19185 985 1 3 . 1 1 54 54 ASP CA C 54 53.861 53.861 56.929 -3.068 19185 986 1 3 . 1 1 54 54 ASP CB C 54 39.888 39.888 40.644 -0.756 19185 987 1 3 . 1 1 54 54 ASP H H 54 8.217 8.217 7.582 0.635 19185 988 1 3 . 1 1 55 55 GLN N N 55 119.498 119.498 116.096 3.402 19185 989 1 3 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.106 0.217 19185 990 1 3 . 1 1 55 55 GLN C C 55 175.712 175.712 177.516 -1.804 19185 991 1 3 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.547 -1.735 19185 992 1 3 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.016 0.342 19185 993 1 3 . 1 1 55 55 GLN H H 55 8.160 8.160 7.536 0.624 19185 994 1 3 . 1 1 56 56 THR N N 56 114.937 114.937 115.603 -0.666 19185 995 1 3 . 1 1 56 56 THR HA H 56 4.217 4.217 4.336 -0.119 19185 996 1 3 . 1 1 56 56 THR C C 56 173.642 173.642 173.743 -0.101 19185 997 1 3 . 1 1 56 56 THR CA C 56 61.962 61.962 61.089 0.873 19185 998 1 3 . 1 1 56 56 THR CB C 56 69.556 69.556 67.441 2.115 19185 999 1 3 . 1 1 56 56 THR H H 56 7.999 7.999 7.623 0.376 19185 1000 1 3 . 1 1 57 57 TYR N N 57 122.914 122.914 123.621 -0.707 19185 1001 1 3 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.896 -0.059 19185 1002 1 3 . 1 1 57 57 TYR CA C 57 55.439 55.439 53.968 1.472 19185 1003 1 3 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.486 0.782 19185 1004 1 3 . 1 1 57 57 TYR H H 57 8.113 8.113 7.416 0.697 19185 1005 1 3 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.411 0.413 19185 1006 1 3 . 1 1 58 58 PRO CA C 58 62.976 62.976 62.203 0.774 19185 1007 1 3 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.102 -0.314 19185 1008 1 3 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.338 0.144 19185 1009 1 3 . 1 1 59 59 PRO C C 59 176.873 176.873 177.946 -1.073 19185 1010 1 3 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.075 -0.164 19185 1011 1 3 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.071 -0.080 19185 1012 1 3 . 1 1 60 60 GLU N N 60 120.610 120.610 122.932 -2.322 19185 1013 1 3 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.077 0.296 19185 1014 1 3 . 1 1 60 60 GLU C C 60 175.459 175.459 176.434 -0.975 19185 1015 1 3 . 1 1 60 60 GLU CA C 60 55.988 55.988 58.271 -2.283 19185 1016 1 3 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.841 -0.179 19185 1017 1 3 . 1 1 60 60 GLU H H 60 8.410 8.410 8.829 -0.419 19185 1018 1 4 . 1 1 2 2 THR N N 2 112.540 112.540 120.403 -7.863 19185 1019 1 4 . 1 1 2 2 THR HA H 2 4.713 4.713 4.594 0.119 19185 1020 1 4 . 1 1 2 2 THR C C 2 174.853 174.853 175.520 -0.667 19185 1021 1 4 . 1 1 2 2 THR CA C 2 59.734 59.734 62.338 -2.604 19185 1022 1 4 . 1 1 2 2 THR CB C 2 71.378 71.378 69.745 1.633 19185 1023 1 4 . 1 1 2 2 THR H H 2 8.189 8.189 8.485 -0.296 19185 1024 1 4 . 1 1 3 3 LEU N N 3 121.600 121.600 127.128 -5.528 19185 1025 1 4 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.128 -0.027 19185 1026 1 4 . 1 1 3 3 LEU C C 3 178.488 178.488 178.857 -0.369 19185 1027 1 4 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.553 0.600 19185 1028 1 4 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.161 0.282 19185 1029 1 4 . 1 1 3 3 LEU H H 3 8.997 8.997 9.089 -0.092 19185 1030 1 4 . 1 1 4 4 ILE N N 4 116.394 116.394 120.092 -3.698 19185 1031 1 4 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.916 -0.118 19185 1032 1 4 . 1 1 4 4 ILE C C 4 176.847 176.847 178.296 -1.449 19185 1033 1 4 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.315 -0.531 19185 1034 1 4 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.080 0.997 19185 1035 1 4 . 1 1 4 4 ILE H H 4 8.173 8.173 8.149 0.024 19185 1036 1 4 . 1 1 5 5 GLU N N 5 118.842 118.842 119.574 -0.732 19185 1037 1 4 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.123 -0.350 19185 1038 1 4 . 1 1 5 5 GLU C C 5 177.554 177.554 179.755 -2.201 19185 1039 1 4 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.617 -0.019 19185 1040 1 4 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.980 -0.128 19185 1041 1 4 . 1 1 5 5 GLU H H 5 7.394 7.394 8.605 -1.211 19185 1042 1 4 . 1 1 6 6 LEU N N 6 117.867 117.867 119.962 -2.095 19185 1043 1 4 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.133 -0.217 19185 1044 1 4 . 1 1 6 6 LEU C C 6 177.832 177.832 179.245 -1.413 19185 1045 1 4 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.481 0.532 19185 1046 1 4 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.679 -0.069 19185 1047 1 4 . 1 1 6 6 LEU H H 6 7.885 7.885 8.314 -0.429 19185 1048 1 4 . 1 1 7 7 LEU N N 7 117.636 117.636 120.949 -3.313 19185 1049 1 4 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.996 -0.106 19185 1050 1 4 . 1 1 7 7 LEU C C 7 178.135 178.135 179.109 -0.974 19185 1051 1 4 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.134 -0.222 19185 1052 1 4 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.418 0.049 19185 1053 1 4 . 1 1 7 7 LEU H H 7 8.328 8.328 7.796 0.532 19185 1054 1 4 . 1 1 8 8 ILE N N 8 117.838 117.838 119.118 -1.280 19185 1055 1 4 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.677 -0.108 19185 1056 1 4 . 1 1 8 8 ILE C C 8 177.150 177.150 178.102 -0.952 19185 1057 1 4 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.677 -0.475 19185 1058 1 4 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.880 -0.665 19185 1059 1 4 . 1 1 8 8 ILE H H 8 8.054 8.054 8.045 0.009 19185 1060 1 4 . 1 1 9 9 VAL N N 9 118.866 118.866 119.906 -1.040 19185 1061 1 4 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.674 -0.192 19185 1062 1 4 . 1 1 9 9 VAL C C 9 177.352 177.352 177.612 -0.260 19185 1063 1 4 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.688 0.944 19185 1064 1 4 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.850 -0.568 19185 1065 1 4 . 1 1 9 9 VAL H H 9 8.026 8.026 7.872 0.154 19185 1066 1 4 . 1 1 10 10 VAL N N 10 118.095 118.095 119.060 -0.965 19185 1067 1 4 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.569 -0.126 19185 1068 1 4 . 1 1 10 10 VAL C C 10 176.948 176.948 177.584 -0.636 19185 1069 1 4 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.648 0.486 19185 1070 1 4 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.392 -0.414 19185 1071 1 4 . 1 1 10 10 VAL H H 10 8.399 8.399 7.606 0.793 19185 1072 1 4 . 1 1 11 11 ALA N N 11 121.128 121.128 122.781 -1.653 19185 1073 1 4 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.046 -0.125 19185 1074 1 4 . 1 1 11 11 ALA C C 11 178.816 178.816 179.499 -0.683 19185 1075 1 4 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.342 -0.001 19185 1076 1 4 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.258 -0.590 19185 1077 1 4 . 1 1 11 11 ALA H H 11 8.327 8.327 7.742 0.585 19185 1078 1 4 . 1 1 12 12 ILE N N 12 116.336 116.336 115.565 0.771 19185 1079 1 4 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.659 -0.097 19185 1080 1 4 . 1 1 12 12 ILE C C 12 177.403 177.403 177.922 -0.519 19185 1081 1 4 . 1 1 12 12 ILE CA C 12 65.303 65.303 65.011 0.292 19185 1082 1 4 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.710 -0.353 19185 1083 1 4 . 1 1 12 12 ILE H H 12 8.275 8.275 8.330 -0.055 19185 1084 1 4 . 1 1 13 13 ILE N N 13 118.949 118.949 120.459 -1.510 19185 1085 1 4 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.737 -0.189 19185 1086 1 4 . 1 1 13 13 ILE C C 13 177.352 177.352 178.396 -1.044 19185 1087 1 4 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.919 0.491 19185 1088 1 4 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.140 -0.368 19185 1089 1 4 . 1 1 13 13 ILE H H 13 8.313 8.313 7.701 0.612 19185 1090 1 4 . 1 1 14 14 GLY N N 14 106.566 106.566 108.894 -2.328 19185 1091 1 4 . 1 1 14 14 GLY C C 14 174.576 174.576 175.917 -1.341 19185 1092 1 4 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.218 0.291 19185 1093 1 4 . 1 1 14 14 GLY H H 14 8.656 8.656 7.826 0.830 19185 1094 1 4 . 1 1 15 15 ILE N N 15 121.111 121.111 123.330 -2.219 19185 1095 1 4 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.707 -0.081 19185 1096 1 4 . 1 1 15 15 ILE C C 15 177.226 177.226 177.689 -0.463 19185 1097 1 4 . 1 1 15 15 ILE CA C 15 65.302 65.302 65.077 0.225 19185 1098 1 4 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.996 -0.256 19185 1099 1 4 . 1 1 15 15 ILE H H 15 8.310 8.310 7.796 0.514 19185 1100 1 4 . 1 1 16 16 LEU N N 16 117.956 117.956 119.406 -1.450 19185 1101 1 4 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.912 0.054 19185 1102 1 4 . 1 1 16 16 LEU C C 16 178.665 178.665 179.231 -0.566 19185 1103 1 4 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.833 -0.124 19185 1104 1 4 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.115 0.385 19185 1105 1 4 . 1 1 16 16 LEU H H 16 8.250 8.250 8.228 0.022 19185 1106 1 4 . 1 1 17 17 ALA N N 17 119.727 119.727 121.427 -1.700 19185 1107 1 4 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.103 -0.187 19185 1108 1 4 . 1 1 17 17 ALA C C 17 178.160 178.160 179.210 -1.050 19185 1109 1 4 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.908 0.151 19185 1110 1 4 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.070 -0.217 19185 1111 1 4 . 1 1 17 17 ALA H H 17 8.640 8.640 8.025 0.615 19185 1112 1 4 . 1 1 18 18 ALA N N 18 117.791 117.791 121.504 -3.713 19185 1113 1 4 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.045 -0.005 19185 1114 1 4 . 1 1 18 18 ALA C C 18 178.841 178.841 179.218 -0.377 19185 1115 1 4 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.910 -0.464 19185 1116 1 4 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.631 -0.462 19185 1117 1 4 . 1 1 18 18 ALA H H 18 7.983 7.983 7.893 0.090 19185 1118 1 4 . 1 1 19 19 ILE N N 19 112.844 112.844 114.565 -1.721 19185 1119 1 4 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.085 -0.097 19185 1120 1 4 . 1 1 19 19 ILE C C 19 176.696 176.696 177.439 -0.743 19185 1121 1 4 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.755 0.269 19185 1122 1 4 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.513 1.042 19185 1123 1 4 . 1 1 19 19 ILE H H 19 7.701 7.701 7.793 -0.092 19185 1124 1 4 . 1 1 20 20 ALA N N 20 120.774 120.774 123.813 -3.039 19185 1125 1 4 . 1 1 20 20 ALA HA H 20 4.271 4.271 3.612 0.659 19185 1126 1 4 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.031 -1.480 19185 1127 1 4 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.182 1.701 19185 1128 1 4 . 1 1 20 20 ALA H H 20 8.086 8.086 7.402 0.684 19185 1129 1 4 . 1 1 21 21 ILE N N 21 117.619 117.619 118.590 -0.971 19185 1130 1 4 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.882 0.342 19185 1131 1 4 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.805 -4.179 19185 1132 1 4 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.592 1.242 19185 1133 1 4 . 1 1 21 21 ILE H H 21 8.056 8.056 7.982 0.074 19185 1134 1 4 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.196 0.188 19185 1135 1 4 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.045 -0.836 19185 1136 1 4 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.967 0.561 19185 1137 1 4 . 1 1 23 23 GLN N N 23 115.494 115.494 119.012 -3.518 19185 1138 1 4 . 1 1 23 23 GLN HA H 23 4.200 4.200 3.946 0.254 19185 1139 1 4 . 1 1 23 23 GLN C C 23 176.898 176.898 178.579 -1.681 19185 1140 1 4 . 1 1 23 23 GLN CA C 23 57.426 57.426 59.017 -1.591 19185 1141 1 4 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.361 -0.324 19185 1142 1 4 . 1 1 23 23 GLN H H 23 8.123 8.123 7.802 0.321 19185 1143 1 4 . 1 1 24 24 PHE N N 24 118.541 118.541 117.667 0.874 19185 1144 1 4 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.670 0.002 19185 1145 1 4 . 1 1 24 24 PHE C C 24 176.494 176.494 178.099 -1.605 19185 1146 1 4 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.151 -0.834 19185 1147 1 4 . 1 1 24 24 PHE CB C 24 38.912 38.912 38.794 0.118 19185 1148 1 4 . 1 1 24 24 PHE H H 24 8.068 8.068 8.253 -0.185 19185 1149 1 4 . 1 1 25 25 SER N N 25 115.228 115.228 117.909 -2.681 19185 1150 1 4 . 1 1 25 25 SER HA H 25 4.278 4.278 4.104 0.174 19185 1151 1 4 . 1 1 25 25 SER C C 25 175.308 175.308 176.415 -1.107 19185 1152 1 4 . 1 1 25 25 SER CA C 25 60.288 60.288 62.818 -2.530 19185 1153 1 4 . 1 1 25 25 SER CB C 25 63.278 63.278 63.044 0.234 19185 1154 1 4 . 1 1 25 25 SER H H 25 8.081 8.081 8.532 -0.451 19185 1155 1 4 . 1 1 26 26 ALA N N 26 123.792 123.792 122.705 1.087 19185 1156 1 4 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.148 0.048 19185 1157 1 4 . 1 1 26 26 ALA C C 26 178.387 178.387 179.444 -1.057 19185 1158 1 4 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.705 -1.056 19185 1159 1 4 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.314 0.154 19185 1160 1 4 . 1 1 26 26 ALA H H 26 8.151 8.151 7.946 0.205 19185 1161 1 4 . 1 1 27 27 TYR N N 27 116.956 116.956 120.169 -3.213 19185 1162 1 4 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.237 0.143 19185 1163 1 4 . 1 1 27 27 TYR C C 27 176.090 176.090 177.804 -1.714 19185 1164 1 4 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.153 -2.192 19185 1165 1 4 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.716 -0.346 19185 1166 1 4 . 1 1 27 27 TYR H H 27 7.830 7.830 7.859 -0.029 19185 1167 1 4 . 1 1 28 28 ARG N N 28 119.962 119.962 118.403 1.559 19185 1168 1 4 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.950 0.184 19185 1169 1 4 . 1 1 28 28 ARG C C 28 176.595 176.595 178.988 -2.393 19185 1170 1 4 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.084 -1.847 19185 1171 1 4 . 1 1 28 28 ARG CB C 28 30.472 30.472 30.239 0.233 19185 1172 1 4 . 1 1 28 28 ARG H H 28 7.814 7.814 8.086 -0.272 19185 1173 1 4 . 1 1 29 29 VAL N N 29 118.483 118.483 120.422 -1.939 19185 1174 1 4 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.799 0.167 19185 1175 1 4 . 1 1 29 29 VAL C C 29 176.545 176.545 177.270 -0.725 19185 1176 1 4 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.326 -2.869 19185 1177 1 4 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.418 0.798 19185 1178 1 4 . 1 1 29 29 VAL H H 29 7.819 7.819 8.331 -0.512 19185 1179 1 4 . 1 1 30 30 LYS N N 30 122.256 122.256 120.197 2.059 19185 1180 1 4 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.138 0.061 19185 1181 1 4 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.548 -2.534 19185 1182 1 4 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.996 0.641 19185 1183 1 4 . 1 1 30 30 LYS H H 30 7.962 7.962 8.050 -0.088 19185 1184 1 4 . 1 1 31 31 ALA N N 31 122.625 122.625 121.934 0.691 19185 1185 1 4 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.134 0.074 19185 1186 1 4 . 1 1 31 31 ALA C C 31 177.680 177.680 179.255 -1.575 19185 1187 1 4 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.295 -1.446 19185 1188 1 4 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.862 1.168 19185 1189 1 4 . 1 1 31 31 ALA H H 31 8.053 8.053 7.947 0.106 19185 1190 1 4 . 1 1 32 32 TYR N N 32 118.444 118.444 120.566 -2.122 19185 1191 1 4 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.064 0.384 19185 1192 1 4 . 1 1 32 32 TYR C C 32 175.686 175.686 177.571 -1.885 19185 1193 1 4 . 1 1 32 32 TYR CA C 32 58.576 58.576 62.104 -3.528 19185 1194 1 4 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.621 -0.150 19185 1195 1 4 . 1 1 32 32 TYR H H 32 8.016 8.016 7.827 0.189 19185 1196 1 4 . 1 1 33 33 ASN N N 33 119.421 119.421 116.665 2.756 19185 1197 1 4 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.354 0.299 19185 1198 1 4 . 1 1 33 33 ASN C C 33 175.510 175.510 177.763 -2.253 19185 1199 1 4 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.334 -2.776 19185 1200 1 4 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.565 0.226 19185 1201 1 4 . 1 1 33 33 ASN H H 33 8.174 8.174 8.367 -0.193 19185 1202 1 4 . 1 1 34 34 SER N N 34 116.151 116.151 116.168 -0.017 19185 1203 1 4 . 1 1 34 34 SER HA H 34 4.359 4.359 4.097 0.262 19185 1204 1 4 . 1 1 34 34 SER C C 34 174.727 174.727 176.116 -1.389 19185 1205 1 4 . 1 1 34 34 SER CA C 34 59.127 59.127 61.494 -2.367 19185 1206 1 4 . 1 1 34 34 SER CB C 34 63.582 63.582 62.983 0.599 19185 1207 1 4 . 1 1 34 34 SER H H 34 8.143 8.143 8.048 0.095 19185 1208 1 4 . 1 1 35 35 ALA N N 35 125.119 125.119 123.041 2.078 19185 1209 1 4 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.090 0.247 19185 1210 1 4 . 1 1 35 35 ALA C C 35 177.807 177.807 179.319 -1.512 19185 1211 1 4 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.714 -1.663 19185 1212 1 4 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.233 0.729 19185 1213 1 4 . 1 1 35 35 ALA H H 35 8.204 8.204 7.972 0.232 19185 1214 1 4 . 1 1 36 36 ALA N N 36 121.508 121.508 120.658 0.850 19185 1215 1 4 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.909 0.381 19185 1216 1 4 . 1 1 36 36 ALA C C 36 178.059 178.059 179.415 -1.356 19185 1217 1 4 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.741 -1.791 19185 1218 1 4 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.875 1.155 19185 1219 1 4 . 1 1 36 36 ALA H H 36 8.134 8.134 7.870 0.264 19185 1220 1 4 . 1 1 37 37 SER N N 37 113.501 113.501 114.167 -0.666 19185 1221 1 4 . 1 1 37 37 SER HA H 37 4.365 4.365 4.072 0.293 19185 1222 1 4 . 1 1 37 37 SER C C 37 175.384 175.384 176.932 -1.548 19185 1223 1 4 . 1 1 37 37 SER CA C 37 59.127 59.127 61.382 -2.255 19185 1224 1 4 . 1 1 37 37 SER CB C 37 63.379 63.379 63.014 0.366 19185 1225 1 4 . 1 1 37 37 SER H H 37 8.071 8.071 8.114 -0.043 19185 1226 1 4 . 1 1 38 38 SER N N 38 117.437 117.437 117.323 0.114 19185 1227 1 4 . 1 1 38 38 SER HA H 38 4.371 4.371 4.191 0.180 19185 1228 1 4 . 1 1 38 38 SER C C 38 174.828 174.828 176.464 -1.636 19185 1229 1 4 . 1 1 38 38 SER CA C 38 59.485 59.485 61.900 -2.415 19185 1230 1 4 . 1 1 38 38 SER CB C 38 63.379 63.379 63.105 0.274 19185 1231 1 4 . 1 1 38 38 SER H H 38 8.170 8.170 8.034 0.136 19185 1232 1 4 . 1 1 39 39 ASP N N 39 121.556 121.556 123.209 -1.653 19185 1233 1 4 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.429 0.167 19185 1234 1 4 . 1 1 39 39 ASP C C 39 177.226 177.226 178.116 -0.890 19185 1235 1 4 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.404 -2.213 19185 1236 1 4 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.947 -0.552 19185 1237 1 4 . 1 1 39 39 ASP H H 39 8.216 8.216 7.963 0.253 19185 1238 1 4 . 1 1 40 40 LEU N N 40 121.423 121.423 116.534 4.889 19185 1239 1 4 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.387 -0.205 19185 1240 1 4 . 1 1 40 40 LEU C C 40 178.109 178.109 178.472 -0.363 19185 1241 1 4 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.109 -0.407 19185 1242 1 4 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.540 -0.032 19185 1243 1 4 . 1 1 40 40 LEU H H 40 8.265 8.265 7.775 0.490 19185 1244 1 4 . 1 1 41 41 ARG N N 41 119.425 119.425 119.166 0.259 19185 1245 1 4 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.101 -0.041 19185 1246 1 4 . 1 1 41 41 ARG C C 41 178.160 178.160 178.004 0.156 19185 1247 1 4 . 1 1 41 41 ARG CA C 41 58.926 58.926 57.590 1.336 19185 1248 1 4 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.717 0.046 19185 1249 1 4 . 1 1 41 41 ARG H H 41 8.109 8.109 8.098 0.011 19185 1250 1 4 . 1 1 42 42 ASN N N 42 117.770 117.770 118.877 -1.107 19185 1251 1 4 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.535 0.088 19185 1252 1 4 . 1 1 42 42 ASN C C 42 177.049 177.049 177.955 -0.906 19185 1253 1 4 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.052 -1.381 19185 1254 1 4 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.290 -0.325 19185 1255 1 4 . 1 1 42 42 ASN H H 42 8.239 8.239 7.919 0.320 19185 1256 1 4 . 1 1 43 43 LEU N N 43 122.159 122.159 118.526 3.633 19185 1257 1 4 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.120 0.038 19185 1258 1 4 . 1 1 43 43 LEU C C 43 177.504 177.504 178.888 -1.384 19185 1259 1 4 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.442 0.065 19185 1260 1 4 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.828 -0.089 19185 1261 1 4 . 1 1 43 43 LEU H H 43 8.048 8.048 7.694 0.354 19185 1262 1 4 . 1 1 44 44 LYS N N 44 119.015 119.015 119.727 -0.712 19185 1263 1 4 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.073 -0.177 19185 1264 1 4 . 1 1 44 44 LYS C C 44 178.059 178.059 178.684 -0.625 19185 1265 1 4 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.314 0.825 19185 1266 1 4 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.409 -0.013 19185 1267 1 4 . 1 1 44 44 LYS H H 44 8.212 8.212 7.408 0.804 19185 1268 1 4 . 1 1 45 45 THR N N 45 113.770 113.770 115.497 -1.727 19185 1269 1 4 . 1 1 45 45 THR HA H 45 4.032 4.032 4.359 -0.327 19185 1270 1 4 . 1 1 45 45 THR C C 45 176.469 176.469 176.368 0.101 19185 1271 1 4 . 1 1 45 45 THR CA C 45 65.303 65.303 65.305 -0.002 19185 1272 1 4 . 1 1 45 45 THR CB C 45 68.645 68.645 68.516 0.129 19185 1273 1 4 . 1 1 45 45 THR H H 45 8.080 8.080 8.171 -0.091 19185 1274 1 4 . 1 1 46 46 ALA N N 46 124.926 124.926 124.417 0.509 19185 1275 1 4 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.109 0.064 19185 1276 1 4 . 1 1 46 46 ALA C C 46 179.977 179.977 179.631 0.346 19185 1277 1 4 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.321 -0.441 19185 1278 1 4 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.064 0.164 19185 1279 1 4 . 1 1 46 46 ALA H H 46 8.048 8.048 7.857 0.191 19185 1280 1 4 . 1 1 47 47 LEU N N 47 118.030 118.030 117.899 0.131 19185 1281 1 4 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.032 0.056 19185 1282 1 4 . 1 1 47 47 LEU C C 47 177.832 177.832 179.493 -1.661 19185 1283 1 4 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.567 -0.179 19185 1284 1 4 . 1 1 47 47 LEU CB C 47 41.812 41.812 40.974 0.839 19185 1285 1 4 . 1 1 47 47 LEU H H 47 8.257 8.257 7.703 0.554 19185 1286 1 4 . 1 1 48 48 GLU N N 48 117.324 117.324 118.710 -1.386 19185 1287 1 4 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.051 0.002 19185 1288 1 4 . 1 1 48 48 GLU C C 48 178.690 178.690 179.157 -0.467 19185 1289 1 4 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.395 -0.572 19185 1290 1 4 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.367 -0.718 19185 1291 1 4 . 1 1 48 48 GLU H H 48 8.282 8.282 8.108 0.174 19185 1292 1 4 . 1 1 49 49 SER N N 49 114.057 114.057 114.758 -0.701 19185 1293 1 4 . 1 1 49 49 SER HA H 49 4.330 4.330 4.390 -0.060 19185 1294 1 4 . 1 1 49 49 SER C C 49 175.283 175.283 175.729 -0.446 19185 1295 1 4 . 1 1 49 49 SER CA C 49 60.589 60.589 60.055 0.534 19185 1296 1 4 . 1 1 49 49 SER CB C 49 63.076 63.076 63.045 0.031 19185 1297 1 4 . 1 1 49 49 SER H H 49 8.059 8.059 8.019 0.040 19185 1298 1 4 . 1 1 50 50 ALA N N 50 123.125 123.125 123.663 -0.538 19185 1299 1 4 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.237 -0.087 19185 1300 1 4 . 1 1 50 50 ALA C C 50 178.034 178.034 177.965 0.069 19185 1301 1 4 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.267 -0.507 19185 1302 1 4 . 1 1 50 50 ALA CB C 50 18.524 18.524 19.182 -0.658 19185 1303 1 4 . 1 1 50 50 ALA H H 50 7.776 7.776 7.833 -0.057 19185 1304 1 4 . 1 1 51 51 PHE N N 51 114.586 114.586 117.163 -2.577 19185 1305 1 4 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.606 -0.016 19185 1306 1 4 . 1 1 51 51 PHE C C 51 175.560 175.560 174.329 1.231 19185 1307 1 4 . 1 1 51 51 PHE CA C 51 57.941 57.941 57.038 0.903 19185 1308 1 4 . 1 1 51 51 PHE CB C 51 39.306 39.306 41.411 -2.105 19185 1309 1 4 . 1 1 51 51 PHE H H 51 7.782 7.782 7.597 0.185 19185 1310 1 4 . 1 1 52 52 ALA N N 52 122.550 122.550 123.618 -1.068 19185 1311 1 4 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.150 0.183 19185 1312 1 4 . 1 1 52 52 ALA C C 52 177.529 177.529 176.625 0.904 19185 1313 1 4 . 1 1 52 52 ALA CA C 52 52.950 52.950 52.408 0.542 19185 1314 1 4 . 1 1 52 52 ALA CB C 52 19.334 19.334 17.139 2.195 19185 1315 1 4 . 1 1 52 52 ALA H H 52 7.731 7.731 7.611 0.120 19185 1316 1 4 . 1 1 53 53 ASP N N 53 118.118 118.118 122.678 -4.560 19185 1317 1 4 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.361 0.303 19185 1318 1 4 . 1 1 53 53 ASP C C 53 175.686 175.686 176.194 -0.508 19185 1319 1 4 . 1 1 53 53 ASP CA C 53 53.861 53.861 57.018 -3.157 19185 1320 1 4 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.422 -1.304 19185 1321 1 4 . 1 1 53 53 ASP H H 53 8.230 8.230 8.435 -0.205 19185 1322 1 4 . 1 1 54 54 ASP N N 54 119.502 119.502 117.798 1.704 19185 1323 1 4 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.811 -0.147 19185 1324 1 4 . 1 1 54 54 ASP CA C 54 53.861 53.861 53.746 0.115 19185 1325 1 4 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.651 -1.763 19185 1326 1 4 . 1 1 54 54 ASP H H 54 8.217 8.217 8.404 -0.187 19185 1327 1 4 . 1 1 55 55 GLN N N 55 119.498 119.498 124.181 -4.683 19185 1328 1 4 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.366 -0.043 19185 1329 1 4 . 1 1 55 55 GLN C C 55 175.712 175.712 176.921 -1.209 19185 1330 1 4 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.037 -1.225 19185 1331 1 4 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.072 0.286 19185 1332 1 4 . 1 1 55 55 GLN H H 55 8.160 8.160 8.779 -0.619 19185 1333 1 4 . 1 1 56 56 THR N N 56 114.937 114.937 108.618 6.319 19185 1334 1 4 . 1 1 56 56 THR HA H 56 4.217 4.217 4.419 -0.202 19185 1335 1 4 . 1 1 56 56 THR C C 56 173.642 173.642 174.787 -1.145 19185 1336 1 4 . 1 1 56 56 THR CA C 56 61.962 61.962 61.417 0.545 19185 1337 1 4 . 1 1 56 56 THR CB C 56 69.556 69.556 69.799 -0.243 19185 1338 1 4 . 1 1 56 56 THR H H 56 7.999 7.999 7.781 0.218 19185 1339 1 4 . 1 1 57 57 TYR N N 57 122.914 122.914 125.842 -2.928 19185 1340 1 4 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.466 0.371 19185 1341 1 4 . 1 1 57 57 TYR CA C 57 55.439 55.439 56.640 -1.201 19185 1342 1 4 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.301 -0.033 19185 1343 1 4 . 1 1 57 57 TYR H H 57 8.113 8.113 7.972 0.141 19185 1344 1 4 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.737 0.087 19185 1345 1 4 . 1 1 58 58 PRO CA C 58 62.976 62.976 60.741 2.235 19185 1346 1 4 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.313 -0.525 19185 1347 1 4 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.392 0.090 19185 1348 1 4 . 1 1 59 59 PRO C C 59 176.873 176.873 176.337 0.536 19185 1349 1 4 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.742 0.169 19185 1350 1 4 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.282 -0.291 19185 1351 1 4 . 1 1 60 60 GLU N N 60 120.610 120.610 122.056 -1.446 19185 1352 1 4 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.273 0.100 19185 1353 1 4 . 1 1 60 60 GLU C C 60 175.459 175.459 176.546 -1.087 19185 1354 1 4 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.626 -0.638 19185 1355 1 4 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.265 0.397 19185 1356 1 4 . 1 1 60 60 GLU H H 60 8.410 8.410 8.485 -0.075 19185 1357 1 5 . 1 1 2 2 THR N N 2 112.540 112.540 116.568 -4.028 19185 1358 1 5 . 1 1 2 2 THR HA H 2 4.713 4.713 4.452 0.261 19185 1359 1 5 . 1 1 2 2 THR C C 2 174.853 174.853 176.110 -1.257 19185 1360 1 5 . 1 1 2 2 THR CA C 2 59.734 59.734 61.837 -2.103 19185 1361 1 5 . 1 1 2 2 THR CB C 2 71.378 71.378 71.044 0.334 19185 1362 1 5 . 1 1 2 2 THR H H 2 8.189 8.189 8.610 -0.421 19185 1363 1 5 . 1 1 3 3 LEU N N 3 121.600 121.600 122.028 -0.428 19185 1364 1 5 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.206 -0.105 19185 1365 1 5 . 1 1 3 3 LEU C C 3 178.488 178.488 178.571 -0.083 19185 1366 1 5 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.965 1.188 19185 1367 1 5 . 1 1 3 3 LEU CB C 3 41.443 41.443 40.938 0.505 19185 1368 1 5 . 1 1 3 3 LEU H H 3 8.997 8.997 8.815 0.182 19185 1369 1 5 . 1 1 4 4 ILE N N 4 116.394 116.394 120.270 -3.876 19185 1370 1 5 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.793 0.005 19185 1371 1 5 . 1 1 4 4 ILE C C 4 176.847 176.847 178.530 -1.683 19185 1372 1 5 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.865 -0.081 19185 1373 1 5 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.689 0.388 19185 1374 1 5 . 1 1 4 4 ILE H H 4 8.173 8.173 7.906 0.267 19185 1375 1 5 . 1 1 5 5 GLU N N 5 118.842 118.842 120.403 -1.561 19185 1376 1 5 . 1 1 5 5 GLU HA H 5 3.773 3.773 3.998 -0.225 19185 1377 1 5 . 1 1 5 5 GLU C C 5 177.554 177.554 179.489 -1.935 19185 1378 1 5 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.665 -0.067 19185 1379 1 5 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.461 -0.609 19185 1380 1 5 . 1 1 5 5 GLU H H 5 7.394 7.394 7.919 -0.525 19185 1381 1 5 . 1 1 6 6 LEU N N 6 117.867 117.867 119.486 -1.619 19185 1382 1 5 . 1 1 6 6 LEU HA H 6 3.916 3.916 3.977 -0.061 19185 1383 1 5 . 1 1 6 6 LEU C C 6 177.832 177.832 179.017 -1.185 19185 1384 1 5 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.639 0.374 19185 1385 1 5 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.594 0.016 19185 1386 1 5 . 1 1 6 6 LEU H H 6 7.885 7.885 7.587 0.298 19185 1387 1 5 . 1 1 7 7 LEU N N 7 117.636 117.636 120.175 -2.539 19185 1388 1 5 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.970 -0.080 19185 1389 1 5 . 1 1 7 7 LEU C C 7 178.135 178.135 178.856 -0.721 19185 1390 1 5 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.031 -0.119 19185 1391 1 5 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.742 -0.275 19185 1392 1 5 . 1 1 7 7 LEU H H 7 8.328 8.328 7.682 0.646 19185 1393 1 5 . 1 1 8 8 ILE N N 8 117.838 117.838 119.106 -1.268 19185 1394 1 5 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.565 0.004 19185 1395 1 5 . 1 1 8 8 ILE C C 8 177.150 177.150 177.802 -0.652 19185 1396 1 5 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.914 -0.712 19185 1397 1 5 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.790 -0.575 19185 1398 1 5 . 1 1 8 8 ILE H H 8 8.054 8.054 7.855 0.199 19185 1399 1 5 . 1 1 9 9 VAL N N 9 118.866 118.866 119.896 -1.030 19185 1400 1 5 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.542 -0.060 19185 1401 1 5 . 1 1 9 9 VAL C C 9 177.352 177.352 178.150 -0.798 19185 1402 1 5 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.114 0.518 19185 1403 1 5 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.500 -0.218 19185 1404 1 5 . 1 1 9 9 VAL H H 9 8.026 8.026 7.745 0.281 19185 1405 1 5 . 1 1 10 10 VAL N N 10 118.095 118.095 118.953 -0.858 19185 1406 1 5 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.596 -0.153 19185 1407 1 5 . 1 1 10 10 VAL C C 10 176.948 176.948 177.798 -0.850 19185 1408 1 5 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.246 0.888 19185 1409 1 5 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.383 -0.404 19185 1410 1 5 . 1 1 10 10 VAL H H 10 8.399 8.399 8.174 0.225 19185 1411 1 5 . 1 1 11 11 ALA N N 11 121.128 121.128 122.909 -1.781 19185 1412 1 5 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.062 -0.141 19185 1413 1 5 . 1 1 11 11 ALA C C 11 178.816 178.816 179.415 -0.599 19185 1414 1 5 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.302 0.038 19185 1415 1 5 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.274 -0.606 19185 1416 1 5 . 1 1 11 11 ALA H H 11 8.327 8.327 7.737 0.590 19185 1417 1 5 . 1 1 12 12 ILE N N 12 116.336 116.336 115.868 0.468 19185 1418 1 5 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.677 -0.115 19185 1419 1 5 . 1 1 12 12 ILE C C 12 177.403 177.403 178.004 -0.601 19185 1420 1 5 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.860 0.443 19185 1421 1 5 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.716 -0.359 19185 1422 1 5 . 1 1 12 12 ILE H H 12 8.275 8.275 8.110 0.165 19185 1423 1 5 . 1 1 13 13 ILE N N 13 118.949 118.949 120.532 -1.583 19185 1424 1 5 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.802 -0.254 19185 1425 1 5 . 1 1 13 13 ILE C C 13 177.352 177.352 178.113 -0.761 19185 1426 1 5 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.458 0.952 19185 1427 1 5 . 1 1 13 13 ILE CB C 13 36.772 36.772 36.947 -0.175 19185 1428 1 5 . 1 1 13 13 ILE H H 13 8.313 8.313 7.851 0.462 19185 1429 1 5 . 1 1 14 14 GLY N N 14 106.566 106.566 108.690 -2.124 19185 1430 1 5 . 1 1 14 14 GLY C C 14 174.576 174.576 176.259 -1.683 19185 1431 1 5 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.387 0.122 19185 1432 1 5 . 1 1 14 14 GLY H H 14 8.656 8.656 7.872 0.784 19185 1433 1 5 . 1 1 15 15 ILE N N 15 121.111 121.111 122.925 -1.814 19185 1434 1 5 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.736 -0.110 19185 1435 1 5 . 1 1 15 15 ILE C C 15 177.226 177.226 177.660 -0.434 19185 1436 1 5 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.852 0.450 19185 1437 1 5 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.964 -0.224 19185 1438 1 5 . 1 1 15 15 ILE H H 15 8.310 8.310 7.596 0.714 19185 1439 1 5 . 1 1 16 16 LEU N N 16 117.956 117.956 119.664 -1.708 19185 1440 1 5 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.898 0.068 19185 1441 1 5 . 1 1 16 16 LEU C C 16 178.665 178.665 179.184 -0.519 19185 1442 1 5 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.832 -0.123 19185 1443 1 5 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.084 0.416 19185 1444 1 5 . 1 1 16 16 LEU H H 16 8.250 8.250 7.600 0.650 19185 1445 1 5 . 1 1 17 17 ALA N N 17 119.727 119.727 121.305 -1.578 19185 1446 1 5 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.063 -0.147 19185 1447 1 5 . 1 1 17 17 ALA C C 17 178.160 178.160 179.248 -1.088 19185 1448 1 5 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.902 0.157 19185 1449 1 5 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.020 -0.167 19185 1450 1 5 . 1 1 17 17 ALA H H 17 8.640 8.640 8.372 0.268 19185 1451 1 5 . 1 1 18 18 ALA N N 18 117.791 117.791 121.398 -3.607 19185 1452 1 5 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.063 -0.023 19185 1453 1 5 . 1 1 18 18 ALA C C 18 178.841 178.841 179.115 -0.274 19185 1454 1 5 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.915 -0.469 19185 1455 1 5 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.618 -0.449 19185 1456 1 5 . 1 1 18 18 ALA H H 18 7.983 7.983 7.904 0.079 19185 1457 1 5 . 1 1 19 19 ILE N N 19 112.844 112.844 114.338 -1.494 19185 1458 1 5 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.196 -0.208 19185 1459 1 5 . 1 1 19 19 ILE C C 19 176.696 176.696 177.547 -0.851 19185 1460 1 5 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.727 0.297 19185 1461 1 5 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.735 0.820 19185 1462 1 5 . 1 1 19 19 ILE H H 19 7.701 7.701 7.637 0.064 19185 1463 1 5 . 1 1 20 20 ALA N N 20 120.774 120.774 123.810 -3.036 19185 1464 1 5 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.054 0.217 19185 1465 1 5 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.126 -1.575 19185 1466 1 5 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.215 1.668 19185 1467 1 5 . 1 1 20 20 ALA H H 20 8.086 8.086 7.511 0.575 19185 1468 1 5 . 1 1 21 21 ILE N N 21 117.619 117.619 118.647 -1.028 19185 1469 1 5 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.933 0.291 19185 1470 1 5 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.246 -3.620 19185 1471 1 5 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.517 1.317 19185 1472 1 5 . 1 1 21 21 ILE H H 21 8.056 8.056 8.154 -0.098 19185 1473 1 5 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.221 0.163 19185 1474 1 5 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.140 -0.931 19185 1475 1 5 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.040 0.488 19185 1476 1 5 . 1 1 23 23 GLN N N 23 115.494 115.494 118.473 -2.979 19185 1477 1 5 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.100 0.100 19185 1478 1 5 . 1 1 23 23 GLN C C 23 176.898 176.898 178.645 -1.747 19185 1479 1 5 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.987 -1.561 19185 1480 1 5 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.677 -0.640 19185 1481 1 5 . 1 1 23 23 GLN H H 23 8.123 8.123 7.859 0.264 19185 1482 1 5 . 1 1 24 24 PHE N N 24 118.541 118.541 119.907 -1.366 19185 1483 1 5 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.511 0.161 19185 1484 1 5 . 1 1 24 24 PHE C C 24 176.494 176.494 177.358 -0.864 19185 1485 1 5 . 1 1 24 24 PHE CA C 24 58.317 58.317 60.085 -1.768 19185 1486 1 5 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.447 -0.535 19185 1487 1 5 . 1 1 24 24 PHE H H 24 8.068 8.068 8.390 -0.322 19185 1488 1 5 . 1 1 25 25 SER N N 25 115.228 115.228 116.401 -1.173 19185 1489 1 5 . 1 1 25 25 SER HA H 25 4.278 4.278 3.971 0.307 19185 1490 1 5 . 1 1 25 25 SER C C 25 175.308 175.308 176.682 -1.374 19185 1491 1 5 . 1 1 25 25 SER CA C 25 60.288 60.288 62.278 -1.990 19185 1492 1 5 . 1 1 25 25 SER CB C 25 63.278 63.278 63.124 0.154 19185 1493 1 5 . 1 1 25 25 SER H H 25 8.081 8.081 8.481 -0.400 19185 1494 1 5 . 1 1 26 26 ALA N N 26 123.792 123.792 122.727 1.065 19185 1495 1 5 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.171 0.025 19185 1496 1 5 . 1 1 26 26 ALA C C 26 178.387 178.387 179.137 -0.750 19185 1497 1 5 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.568 -0.919 19185 1498 1 5 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.270 0.198 19185 1499 1 5 . 1 1 26 26 ALA H H 26 8.151 8.151 7.870 0.281 19185 1500 1 5 . 1 1 27 27 TYR N N 27 116.956 116.956 120.556 -3.600 19185 1501 1 5 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.137 0.243 19185 1502 1 5 . 1 1 27 27 TYR C C 27 176.090 176.090 177.425 -1.335 19185 1503 1 5 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.412 -2.451 19185 1504 1 5 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.674 -0.304 19185 1505 1 5 . 1 1 27 27 TYR H H 27 7.830 7.830 7.726 0.104 19185 1506 1 5 . 1 1 28 28 ARG N N 28 119.962 119.962 117.985 1.977 19185 1507 1 5 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.856 0.278 19185 1508 1 5 . 1 1 28 28 ARG C C 28 176.595 176.595 178.425 -1.830 19185 1509 1 5 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.031 -1.794 19185 1510 1 5 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.583 0.889 19185 1511 1 5 . 1 1 28 28 ARG H H 28 7.814 7.814 8.048 -0.234 19185 1512 1 5 . 1 1 29 29 VAL N N 29 118.483 118.483 120.471 -1.988 19185 1513 1 5 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.902 0.064 19185 1514 1 5 . 1 1 29 29 VAL C C 29 176.545 176.545 177.369 -0.824 19185 1515 1 5 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.127 -1.670 19185 1516 1 5 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.414 0.802 19185 1517 1 5 . 1 1 29 29 VAL H H 29 7.819 7.819 7.430 0.389 19185 1518 1 5 . 1 1 30 30 LYS N N 30 122.256 122.256 121.445 0.811 19185 1519 1 5 . 1 1 30 30 LYS HA H 30 4.199 4.199 3.972 0.227 19185 1520 1 5 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.870 -2.856 19185 1521 1 5 . 1 1 30 30 LYS CB C 30 32.637 32.637 32.219 0.418 19185 1522 1 5 . 1 1 30 30 LYS H H 30 7.962 7.962 8.229 -0.267 19185 1523 1 5 . 1 1 31 31 ALA N N 31 122.625 122.625 121.349 1.276 19185 1524 1 5 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.957 0.251 19185 1525 1 5 . 1 1 31 31 ALA C C 31 177.680 177.680 179.428 -1.748 19185 1526 1 5 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.596 -1.747 19185 1527 1 5 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.653 1.377 19185 1528 1 5 . 1 1 31 31 ALA H H 31 8.053 8.053 7.717 0.336 19185 1529 1 5 . 1 1 32 32 TYR N N 32 118.444 118.444 120.339 -1.895 19185 1530 1 5 . 1 1 32 32 TYR HA H 32 4.448 4.448 3.977 0.471 19185 1531 1 5 . 1 1 32 32 TYR C C 32 175.686 175.686 177.545 -1.859 19185 1532 1 5 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.844 -3.268 19185 1533 1 5 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.355 0.116 19185 1534 1 5 . 1 1 32 32 TYR H H 32 8.016 8.016 7.748 0.268 19185 1535 1 5 . 1 1 33 33 ASN N N 33 119.421 119.421 116.959 2.462 19185 1536 1 5 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.111 0.542 19185 1537 1 5 . 1 1 33 33 ASN C C 33 175.510 175.510 177.794 -2.284 19185 1538 1 5 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.179 -2.621 19185 1539 1 5 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.844 0.947 19185 1540 1 5 . 1 1 33 33 ASN H H 33 8.174 8.174 8.277 -0.103 19185 1541 1 5 . 1 1 34 34 SER N N 34 116.151 116.151 115.689 0.462 19185 1542 1 5 . 1 1 34 34 SER HA H 34 4.359 4.359 4.167 0.192 19185 1543 1 5 . 1 1 34 34 SER C C 34 174.727 174.727 176.237 -1.510 19185 1544 1 5 . 1 1 34 34 SER CA C 34 59.127 59.127 61.372 -2.245 19185 1545 1 5 . 1 1 34 34 SER CB C 34 63.582 63.582 63.004 0.578 19185 1546 1 5 . 1 1 34 34 SER H H 34 8.143 8.143 8.246 -0.103 19185 1547 1 5 . 1 1 35 35 ALA N N 35 125.119 125.119 123.124 1.995 19185 1548 1 5 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.067 0.270 19185 1549 1 5 . 1 1 35 35 ALA C C 35 177.807 177.807 179.448 -1.641 19185 1550 1 5 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.664 -1.613 19185 1551 1 5 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.218 0.744 19185 1552 1 5 . 1 1 35 35 ALA H H 35 8.204 8.204 7.813 0.391 19185 1553 1 5 . 1 1 36 36 ALA N N 36 121.508 121.508 120.901 0.607 19185 1554 1 5 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.942 0.348 19185 1555 1 5 . 1 1 36 36 ALA C C 36 178.059 178.059 179.642 -1.583 19185 1556 1 5 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.924 -1.974 19185 1557 1 5 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.021 1.009 19185 1558 1 5 . 1 1 36 36 ALA H H 36 8.134 8.134 8.293 -0.159 19185 1559 1 5 . 1 1 37 37 SER N N 37 113.501 113.501 113.965 -0.464 19185 1560 1 5 . 1 1 37 37 SER HA H 37 4.365 4.365 4.087 0.278 19185 1561 1 5 . 1 1 37 37 SER C C 37 175.384 175.384 176.621 -1.237 19185 1562 1 5 . 1 1 37 37 SER CA C 37 59.127 59.127 62.063 -2.936 19185 1563 1 5 . 1 1 37 37 SER CB C 37 63.379 63.379 62.910 0.469 19185 1564 1 5 . 1 1 37 37 SER H H 37 8.071 8.071 7.942 0.129 19185 1565 1 5 . 1 1 38 38 SER N N 38 117.437 117.437 116.612 0.825 19185 1566 1 5 . 1 1 38 38 SER HA H 38 4.371 4.371 4.255 0.116 19185 1567 1 5 . 1 1 38 38 SER C C 38 174.828 174.828 176.313 -1.485 19185 1568 1 5 . 1 1 38 38 SER CA C 38 59.485 59.485 60.471 -0.986 19185 1569 1 5 . 1 1 38 38 SER CB C 38 63.379 63.379 62.903 0.476 19185 1570 1 5 . 1 1 38 38 SER H H 38 8.170 8.170 8.055 0.115 19185 1571 1 5 . 1 1 39 39 ASP N N 39 121.556 121.556 123.551 -1.995 19185 1572 1 5 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.388 0.208 19185 1573 1 5 . 1 1 39 39 ASP C C 39 177.226 177.226 178.093 -0.867 19185 1574 1 5 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.312 -2.121 19185 1575 1 5 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.909 -0.514 19185 1576 1 5 . 1 1 39 39 ASP H H 39 8.216 8.216 7.834 0.382 19185 1577 1 5 . 1 1 40 40 LEU N N 40 121.423 121.423 119.357 2.066 19185 1578 1 5 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.032 0.150 19185 1579 1 5 . 1 1 40 40 LEU C C 40 178.109 178.109 179.123 -1.014 19185 1580 1 5 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.359 -0.657 19185 1581 1 5 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.800 -0.292 19185 1582 1 5 . 1 1 40 40 LEU H H 40 8.265 8.265 7.967 0.298 19185 1583 1 5 . 1 1 41 41 ARG N N 41 119.425 119.425 119.257 0.168 19185 1584 1 5 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.890 0.170 19185 1585 1 5 . 1 1 41 41 ARG C C 41 178.160 178.160 177.947 0.213 19185 1586 1 5 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.951 -1.025 19185 1587 1 5 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.096 -0.333 19185 1588 1 5 . 1 1 41 41 ARG H H 41 8.109 8.109 8.248 -0.139 19185 1589 1 5 . 1 1 42 42 ASN N N 42 117.770 117.770 118.423 -0.653 19185 1590 1 5 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.508 0.115 19185 1591 1 5 . 1 1 42 42 ASN C C 42 177.049 177.049 178.078 -1.029 19185 1592 1 5 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.864 -1.194 19185 1593 1 5 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.238 -0.273 19185 1594 1 5 . 1 1 42 42 ASN H H 42 8.239 8.239 7.880 0.359 19185 1595 1 5 . 1 1 43 43 LEU N N 43 122.159 122.159 119.466 2.693 19185 1596 1 5 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.074 0.084 19185 1597 1 5 . 1 1 43 43 LEU C C 43 177.504 177.504 178.595 -1.091 19185 1598 1 5 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.289 0.218 19185 1599 1 5 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.734 0.005 19185 1600 1 5 . 1 1 43 43 LEU H H 43 8.048 8.048 8.409 -0.361 19185 1601 1 5 . 1 1 44 44 LYS N N 44 119.015 119.015 120.052 -1.037 19185 1602 1 5 . 1 1 44 44 LYS HA H 44 3.896 3.896 3.962 -0.066 19185 1603 1 5 . 1 1 44 44 LYS C C 44 178.059 178.059 178.729 -0.670 19185 1604 1 5 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.583 0.556 19185 1605 1 5 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.303 0.093 19185 1606 1 5 . 1 1 44 44 LYS H H 44 8.212 8.212 7.509 0.703 19185 1607 1 5 . 1 1 45 45 THR N N 45 113.770 113.770 114.564 -0.794 19185 1608 1 5 . 1 1 45 45 THR HA H 45 4.032 4.032 4.369 -0.337 19185 1609 1 5 . 1 1 45 45 THR C C 45 176.469 176.469 176.408 0.061 19185 1610 1 5 . 1 1 45 45 THR CA C 45 65.303 65.303 65.580 -0.277 19185 1611 1 5 . 1 1 45 45 THR CB C 45 68.645 68.645 68.537 0.108 19185 1612 1 5 . 1 1 45 45 THR H H 45 8.080 8.080 8.025 0.055 19185 1613 1 5 . 1 1 46 46 ALA N N 46 124.926 124.926 123.982 0.944 19185 1614 1 5 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.110 0.063 19185 1615 1 5 . 1 1 46 46 ALA C C 46 179.977 179.977 179.441 0.536 19185 1616 1 5 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.818 0.062 19185 1617 1 5 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.135 0.093 19185 1618 1 5 . 1 1 46 46 ALA H H 46 8.048 8.048 7.598 0.450 19185 1619 1 5 . 1 1 47 47 LEU N N 47 118.030 118.030 119.363 -1.333 19185 1620 1 5 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.817 0.271 19185 1621 1 5 . 1 1 47 47 LEU C C 47 177.832 177.832 178.353 -0.521 19185 1622 1 5 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.459 -0.071 19185 1623 1 5 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.909 -0.097 19185 1624 1 5 . 1 1 47 47 LEU H H 47 8.257 8.257 7.647 0.610 19185 1625 1 5 . 1 1 48 48 GLU N N 48 117.324 117.324 118.259 -0.935 19185 1626 1 5 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.135 -0.082 19185 1627 1 5 . 1 1 48 48 GLU C C 48 178.690 178.690 178.531 0.159 19185 1628 1 5 . 1 1 48 48 GLU CA C 48 58.823 58.823 58.963 -0.140 19185 1629 1 5 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.111 -0.462 19185 1630 1 5 . 1 1 48 48 GLU H H 48 8.282 8.282 8.369 -0.087 19185 1631 1 5 . 1 1 49 49 SER N N 49 114.057 114.057 114.823 -0.766 19185 1632 1 5 . 1 1 49 49 SER HA H 49 4.330 4.330 4.347 -0.017 19185 1633 1 5 . 1 1 49 49 SER C C 49 175.283 175.283 175.504 -0.221 19185 1634 1 5 . 1 1 49 49 SER CA C 49 60.589 60.589 59.920 0.669 19185 1635 1 5 . 1 1 49 49 SER CB C 49 63.076 63.076 62.980 0.096 19185 1636 1 5 . 1 1 49 49 SER H H 49 8.059 8.059 7.683 0.376 19185 1637 1 5 . 1 1 50 50 ALA N N 50 123.125 123.125 123.441 -0.316 19185 1638 1 5 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.120 0.030 19185 1639 1 5 . 1 1 50 50 ALA C C 50 178.034 178.034 178.660 -0.626 19185 1640 1 5 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.018 -0.258 19185 1641 1 5 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.651 -0.127 19185 1642 1 5 . 1 1 50 50 ALA H H 50 7.776 7.776 7.570 0.206 19185 1643 1 5 . 1 1 51 51 PHE N N 51 114.586 114.586 117.618 -3.032 19185 1644 1 5 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.603 -0.013 19185 1645 1 5 . 1 1 51 51 PHE C C 51 175.560 175.560 176.719 -1.159 19185 1646 1 5 . 1 1 51 51 PHE CA C 51 57.941 57.941 57.989 -0.048 19185 1647 1 5 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.283 0.023 19185 1648 1 5 . 1 1 51 51 PHE H H 51 7.782 7.782 7.804 -0.022 19185 1649 1 5 . 1 1 52 52 ALA N N 52 122.550 122.550 120.129 2.421 19185 1650 1 5 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.077 0.256 19185 1651 1 5 . 1 1 52 52 ALA C C 52 177.529 177.529 177.045 0.484 19185 1652 1 5 . 1 1 52 52 ALA CA C 52 52.950 52.950 53.269 -0.319 19185 1653 1 5 . 1 1 52 52 ALA CB C 52 19.334 19.334 16.646 2.688 19185 1654 1 5 . 1 1 52 52 ALA H H 52 7.731 7.731 7.821 -0.090 19185 1655 1 5 . 1 1 53 53 ASP N N 53 118.118 118.118 116.813 1.305 19185 1656 1 5 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.732 -0.068 19185 1657 1 5 . 1 1 53 53 ASP C C 53 175.686 175.686 175.565 0.121 19185 1658 1 5 . 1 1 53 53 ASP CA C 53 53.861 53.861 53.101 0.760 19185 1659 1 5 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.683 -1.565 19185 1660 1 5 . 1 1 53 53 ASP H H 53 8.230 8.230 8.106 0.124 19185 1661 1 5 . 1 1 54 54 ASP N N 54 119.502 119.502 118.388 1.114 19185 1662 1 5 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.384 0.280 19185 1663 1 5 . 1 1 54 54 ASP CA C 54 53.861 53.861 55.566 -1.705 19185 1664 1 5 . 1 1 54 54 ASP CB C 54 39.888 39.888 39.598 0.290 19185 1665 1 5 . 1 1 54 54 ASP H H 54 8.217 8.217 8.928 -0.711 19185 1666 1 5 . 1 1 55 55 GLN N N 55 119.498 119.498 116.599 2.899 19185 1667 1 5 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.157 0.166 19185 1668 1 5 . 1 1 55 55 GLN C C 55 175.712 175.712 176.968 -1.256 19185 1669 1 5 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.356 -1.544 19185 1670 1 5 . 1 1 55 55 GLN CB C 55 29.358 29.358 27.863 1.495 19185 1671 1 5 . 1 1 55 55 GLN H H 55 8.160 8.160 8.576 -0.416 19185 1672 1 5 . 1 1 56 56 THR N N 56 114.937 114.937 114.102 0.835 19185 1673 1 5 . 1 1 56 56 THR HA H 56 4.217 4.217 4.108 0.109 19185 1674 1 5 . 1 1 56 56 THR C C 56 173.642 173.642 174.447 -0.805 19185 1675 1 5 . 1 1 56 56 THR CA C 56 61.962 61.962 64.551 -2.589 19185 1676 1 5 . 1 1 56 56 THR CB C 56 69.556 69.556 68.879 0.677 19185 1677 1 5 . 1 1 56 56 THR H H 56 7.999 7.999 8.186 -0.187 19185 1678 1 5 . 1 1 57 57 TYR N N 57 122.914 122.914 121.213 1.701 19185 1679 1 5 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.883 -0.046 19185 1680 1 5 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.214 0.225 19185 1681 1 5 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.208 0.060 19185 1682 1 5 . 1 1 57 57 TYR H H 57 8.113 8.113 7.601 0.512 19185 1683 1 5 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.573 0.251 19185 1684 1 5 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.617 1.359 19185 1685 1 5 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.472 -0.684 19185 1686 1 5 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.435 0.047 19185 1687 1 5 . 1 1 59 59 PRO C C 59 176.873 176.873 176.727 0.146 19185 1688 1 5 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.633 -0.722 19185 1689 1 5 . 1 1 59 59 PRO CB C 59 31.991 31.991 30.998 0.993 19185 1690 1 5 . 1 1 60 60 GLU N N 60 120.610 120.610 123.733 -3.123 19185 1691 1 5 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.178 0.195 19185 1692 1 5 . 1 1 60 60 GLU C C 60 175.459 175.459 176.666 -1.207 19185 1693 1 5 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.074 -1.086 19185 1694 1 5 . 1 1 60 60 GLU CB C 60 29.662 29.662 30.291 -0.629 19185 1695 1 5 . 1 1 60 60 GLU H H 60 8.410 8.410 8.855 -0.445 19185 1696 1 6 . 1 1 2 2 THR N N 2 112.540 112.540 118.053 -5.513 19185 1697 1 6 . 1 1 2 2 THR HA H 2 4.713 4.713 4.716 -0.003 19185 1698 1 6 . 1 1 2 2 THR C C 2 174.853 174.853 175.310 -0.457 19185 1699 1 6 . 1 1 2 2 THR CA C 2 59.734 59.734 61.124 -1.390 19185 1700 1 6 . 1 1 2 2 THR CB C 2 71.378 71.378 70.454 0.924 19185 1701 1 6 . 1 1 2 2 THR H H 2 8.189 8.189 7.905 0.284 19185 1702 1 6 . 1 1 3 3 LEU N N 3 121.600 121.600 125.360 -3.760 19185 1703 1 6 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.249 -0.148 19185 1704 1 6 . 1 1 3 3 LEU C C 3 178.488 178.488 178.831 -0.343 19185 1705 1 6 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.706 1.447 19185 1706 1 6 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.745 -0.302 19185 1707 1 6 . 1 1 3 3 LEU H H 3 8.997 8.997 8.948 0.049 19185 1708 1 6 . 1 1 4 4 ILE N N 4 116.394 116.394 119.842 -3.448 19185 1709 1 6 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.688 0.110 19185 1710 1 6 . 1 1 4 4 ILE C C 4 176.847 176.847 178.336 -1.489 19185 1711 1 6 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.660 -0.876 19185 1712 1 6 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.537 0.540 19185 1713 1 6 . 1 1 4 4 ILE H H 4 8.173 8.173 7.735 0.438 19185 1714 1 6 . 1 1 5 5 GLU N N 5 118.842 118.842 119.022 -0.180 19185 1715 1 6 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.120 -0.347 19185 1716 1 6 . 1 1 5 5 GLU C C 5 177.554 177.554 179.537 -1.983 19185 1717 1 6 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.255 0.343 19185 1718 1 6 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.914 -0.062 19185 1719 1 6 . 1 1 5 5 GLU H H 5 7.394 7.394 7.997 -0.604 19185 1720 1 6 . 1 1 6 6 LEU N N 6 117.867 117.867 120.144 -2.277 19185 1721 1 6 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.032 -0.116 19185 1722 1 6 . 1 1 6 6 LEU C C 6 177.832 177.832 179.249 -1.417 19185 1723 1 6 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.647 0.366 19185 1724 1 6 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.615 -0.005 19185 1725 1 6 . 1 1 6 6 LEU H H 6 7.885 7.885 7.379 0.506 19185 1726 1 6 . 1 1 7 7 LEU N N 7 117.636 117.636 119.537 -1.901 19185 1727 1 6 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.929 -0.039 19185 1728 1 6 . 1 1 7 7 LEU C C 7 178.135 178.135 179.314 -1.179 19185 1729 1 6 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.918 -0.006 19185 1730 1 6 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.629 -0.162 19185 1731 1 6 . 1 1 7 7 LEU H H 7 8.328 8.328 7.982 0.346 19185 1732 1 6 . 1 1 8 8 ILE N N 8 117.838 117.838 119.131 -1.293 19185 1733 1 6 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.641 -0.072 19185 1734 1 6 . 1 1 8 8 ILE C C 8 177.150 177.150 177.842 -0.692 19185 1735 1 6 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.622 -0.420 19185 1736 1 6 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.897 -0.682 19185 1737 1 6 . 1 1 8 8 ILE H H 8 8.054 8.054 7.565 0.489 19185 1738 1 6 . 1 1 9 9 VAL N N 9 118.866 118.866 119.558 -0.692 19185 1739 1 6 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.571 -0.089 19185 1740 1 6 . 1 1 9 9 VAL C C 9 177.352 177.352 178.178 -0.826 19185 1741 1 6 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.150 0.482 19185 1742 1 6 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.526 -0.244 19185 1743 1 6 . 1 1 9 9 VAL H H 9 8.026 8.026 8.191 -0.165 19185 1744 1 6 . 1 1 10 10 VAL N N 10 118.095 118.095 118.629 -0.534 19185 1745 1 6 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.638 -0.195 19185 1746 1 6 . 1 1 10 10 VAL C C 10 176.948 176.948 177.671 -0.723 19185 1747 1 6 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.051 1.083 19185 1748 1 6 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.424 -0.446 19185 1749 1 6 . 1 1 10 10 VAL H H 10 8.399 8.399 7.551 0.848 19185 1750 1 6 . 1 1 11 11 ALA N N 11 121.128 121.128 122.900 -1.772 19185 1751 1 6 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.109 -0.188 19185 1752 1 6 . 1 1 11 11 ALA C C 11 178.816 178.816 179.397 -0.581 19185 1753 1 6 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.212 0.127 19185 1754 1 6 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.385 -0.717 19185 1755 1 6 . 1 1 11 11 ALA H H 11 8.327 8.327 7.484 0.843 19185 1756 1 6 . 1 1 12 12 ILE N N 12 116.336 116.336 115.750 0.586 19185 1757 1 6 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.699 -0.137 19185 1758 1 6 . 1 1 12 12 ILE C C 12 177.403 177.403 178.030 -0.627 19185 1759 1 6 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.982 0.321 19185 1760 1 6 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.806 -0.449 19185 1761 1 6 . 1 1 12 12 ILE H H 12 8.275 8.275 8.210 0.065 19185 1762 1 6 . 1 1 13 13 ILE N N 13 118.949 118.949 119.861 -0.912 19185 1763 1 6 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.841 -0.293 19185 1764 1 6 . 1 1 13 13 ILE C C 13 177.352 177.352 178.098 -0.746 19185 1765 1 6 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.601 0.809 19185 1766 1 6 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.293 -0.521 19185 1767 1 6 . 1 1 13 13 ILE H H 13 8.313 8.313 7.756 0.557 19185 1768 1 6 . 1 1 14 14 GLY N N 14 106.566 106.566 109.199 -2.633 19185 1769 1 6 . 1 1 14 14 GLY C C 14 174.576 174.576 176.007 -1.431 19185 1770 1 6 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.251 0.258 19185 1771 1 6 . 1 1 14 14 GLY H H 14 8.656 8.656 7.732 0.924 19185 1772 1 6 . 1 1 15 15 ILE N N 15 121.111 121.111 122.868 -1.757 19185 1773 1 6 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.707 -0.081 19185 1774 1 6 . 1 1 15 15 ILE C C 15 177.226 177.226 177.568 -0.342 19185 1775 1 6 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.987 0.315 19185 1776 1 6 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.990 -0.250 19185 1777 1 6 . 1 1 15 15 ILE H H 15 8.310 8.310 7.812 0.498 19185 1778 1 6 . 1 1 16 16 LEU N N 16 117.956 117.956 119.349 -1.393 19185 1779 1 6 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.909 0.057 19185 1780 1 6 . 1 1 16 16 LEU C C 16 178.665 178.665 179.224 -0.559 19185 1781 1 6 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.808 -0.099 19185 1782 1 6 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.066 0.434 19185 1783 1 6 . 1 1 16 16 LEU H H 16 8.250 8.250 7.551 0.699 19185 1784 1 6 . 1 1 17 17 ALA N N 17 119.727 119.727 121.615 -1.888 19185 1785 1 6 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.067 -0.151 19185 1786 1 6 . 1 1 17 17 ALA C C 17 178.160 178.160 179.198 -1.038 19185 1787 1 6 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.988 0.071 19185 1788 1 6 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.086 -0.233 19185 1789 1 6 . 1 1 17 17 ALA H H 17 8.640 8.640 8.124 0.516 19185 1790 1 6 . 1 1 18 18 ALA N N 18 117.791 117.791 120.871 -3.080 19185 1791 1 6 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.110 -0.070 19185 1792 1 6 . 1 1 18 18 ALA C C 18 178.841 178.841 178.999 -0.158 19185 1793 1 6 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.661 -0.215 19185 1794 1 6 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.652 -0.483 19185 1795 1 6 . 1 1 18 18 ALA H H 18 7.983 7.983 7.777 0.206 19185 1796 1 6 . 1 1 19 19 ILE N N 19 112.844 112.844 114.480 -1.636 19185 1797 1 6 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.229 -0.241 19185 1798 1 6 . 1 1 19 19 ILE C C 19 176.696 176.696 177.500 -0.804 19185 1799 1 6 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.784 0.240 19185 1800 1 6 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.856 0.699 19185 1801 1 6 . 1 1 19 19 ILE H H 19 7.701 7.701 7.955 -0.254 19185 1802 1 6 . 1 1 20 20 ALA N N 20 120.774 120.774 123.402 -2.628 19185 1803 1 6 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.122 0.149 19185 1804 1 6 . 1 1 20 20 ALA CA C 20 53.551 53.551 54.990 -1.439 19185 1805 1 6 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.382 1.501 19185 1806 1 6 . 1 1 20 20 ALA H H 20 8.086 8.086 7.567 0.519 19185 1807 1 6 . 1 1 21 21 ILE N N 21 117.619 117.619 118.936 -1.317 19185 1808 1 6 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.880 0.344 19185 1809 1 6 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.511 -4.885 19185 1810 1 6 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.861 0.973 19185 1811 1 6 . 1 1 21 21 ILE H H 21 8.056 8.056 8.034 0.022 19185 1812 1 6 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.242 0.142 19185 1813 1 6 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.123 -0.914 19185 1814 1 6 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.990 0.538 19185 1815 1 6 . 1 1 23 23 GLN N N 23 115.494 115.494 118.444 -2.950 19185 1816 1 6 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.112 0.088 19185 1817 1 6 . 1 1 23 23 GLN C C 23 176.898 176.898 178.671 -1.773 19185 1818 1 6 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.972 -1.546 19185 1819 1 6 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.693 -0.656 19185 1820 1 6 . 1 1 23 23 GLN H H 23 8.123 8.123 7.864 0.259 19185 1821 1 6 . 1 1 24 24 PHE N N 24 118.541 118.541 120.184 -1.643 19185 1822 1 6 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.609 0.063 19185 1823 1 6 . 1 1 24 24 PHE C C 24 176.494 176.494 177.241 -0.747 19185 1824 1 6 . 1 1 24 24 PHE CA C 24 58.317 58.317 60.088 -1.771 19185 1825 1 6 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.500 -0.588 19185 1826 1 6 . 1 1 24 24 PHE H H 24 8.068 8.068 8.404 -0.336 19185 1827 1 6 . 1 1 25 25 SER N N 25 115.228 115.228 117.169 -1.941 19185 1828 1 6 . 1 1 25 25 SER HA H 25 4.278 4.278 3.894 0.384 19185 1829 1 6 . 1 1 25 25 SER C C 25 175.308 175.308 176.676 -1.368 19185 1830 1 6 . 1 1 25 25 SER CA C 25 60.288 60.288 62.600 -2.312 19185 1831 1 6 . 1 1 25 25 SER CB C 25 63.278 63.278 62.659 0.619 19185 1832 1 6 . 1 1 25 25 SER H H 25 8.081 8.081 8.712 -0.631 19185 1833 1 6 . 1 1 26 26 ALA N N 26 123.792 123.792 122.699 1.093 19185 1834 1 6 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.145 0.051 19185 1835 1 6 . 1 1 26 26 ALA C C 26 178.387 178.387 179.031 -0.644 19185 1836 1 6 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.589 -0.940 19185 1837 1 6 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.328 0.140 19185 1838 1 6 . 1 1 26 26 ALA H H 26 8.151 8.151 7.944 0.207 19185 1839 1 6 . 1 1 27 27 TYR N N 27 116.956 116.956 120.542 -3.586 19185 1840 1 6 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.133 0.247 19185 1841 1 6 . 1 1 27 27 TYR C C 27 176.090 176.090 177.150 -1.060 19185 1842 1 6 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.056 -2.095 19185 1843 1 6 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.602 -0.232 19185 1844 1 6 . 1 1 27 27 TYR H H 27 7.830 7.830 7.548 0.282 19185 1845 1 6 . 1 1 28 28 ARG N N 28 119.962 119.962 118.071 1.891 19185 1846 1 6 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.771 0.363 19185 1847 1 6 . 1 1 28 28 ARG C C 28 176.595 176.595 178.731 -2.136 19185 1848 1 6 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.805 -1.568 19185 1849 1 6 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.318 1.154 19185 1850 1 6 . 1 1 28 28 ARG H H 28 7.814 7.814 8.061 -0.247 19185 1851 1 6 . 1 1 29 29 VAL N N 29 118.483 118.483 121.312 -2.829 19185 1852 1 6 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.731 0.235 19185 1853 1 6 . 1 1 29 29 VAL C C 29 176.545 176.545 177.327 -0.782 19185 1854 1 6 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.809 -2.352 19185 1855 1 6 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.485 0.731 19185 1856 1 6 . 1 1 29 29 VAL H H 29 7.819 7.819 7.511 0.308 19185 1857 1 6 . 1 1 30 30 LYS N N 30 122.256 122.256 119.132 3.124 19185 1858 1 6 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.117 0.082 19185 1859 1 6 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.199 -2.185 19185 1860 1 6 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.983 0.655 19185 1861 1 6 . 1 1 30 30 LYS H H 30 7.962 7.962 7.843 0.119 19185 1862 1 6 . 1 1 31 31 ALA N N 31 122.625 122.625 122.051 0.574 19185 1863 1 6 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.111 0.097 19185 1864 1 6 . 1 1 31 31 ALA C C 31 177.680 177.680 178.847 -1.167 19185 1865 1 6 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.097 -1.248 19185 1866 1 6 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.810 1.220 19185 1867 1 6 . 1 1 31 31 ALA H H 31 8.053 8.053 8.180 -0.127 19185 1868 1 6 . 1 1 32 32 TYR N N 32 118.444 118.444 120.191 -1.747 19185 1869 1 6 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.157 0.291 19185 1870 1 6 . 1 1 32 32 TYR C C 32 175.686 175.686 176.798 -1.112 19185 1871 1 6 . 1 1 32 32 TYR CA C 32 58.576 58.576 60.593 -2.017 19185 1872 1 6 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.425 0.046 19185 1873 1 6 . 1 1 32 32 TYR H H 32 8.016 8.016 7.828 0.188 19185 1874 1 6 . 1 1 33 33 ASN N N 33 119.421 119.421 117.282 2.139 19185 1875 1 6 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.486 0.167 19185 1876 1 6 . 1 1 33 33 ASN C C 33 175.510 175.510 177.056 -1.546 19185 1877 1 6 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.745 -2.187 19185 1878 1 6 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.920 -0.129 19185 1879 1 6 . 1 1 33 33 ASN H H 33 8.174 8.174 7.793 0.381 19185 1880 1 6 . 1 1 34 34 SER N N 34 116.151 116.151 116.365 -0.214 19185 1881 1 6 . 1 1 34 34 SER HA H 34 4.359 4.359 4.158 0.201 19185 1882 1 6 . 1 1 34 34 SER C C 34 174.727 174.727 176.366 -1.639 19185 1883 1 6 . 1 1 34 34 SER CA C 34 59.127 59.127 61.386 -2.259 19185 1884 1 6 . 1 1 34 34 SER CB C 34 63.582 63.582 63.093 0.489 19185 1885 1 6 . 1 1 34 34 SER H H 34 8.143 8.143 8.073 0.070 19185 1886 1 6 . 1 1 35 35 ALA N N 35 125.119 125.119 123.172 1.947 19185 1887 1 6 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.048 0.289 19185 1888 1 6 . 1 1 35 35 ALA C C 35 177.807 177.807 179.190 -1.383 19185 1889 1 6 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.858 -1.807 19185 1890 1 6 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.142 0.820 19185 1891 1 6 . 1 1 35 35 ALA H H 35 8.204 8.204 7.833 0.371 19185 1892 1 6 . 1 1 36 36 ALA N N 36 121.508 121.508 120.449 1.059 19185 1893 1 6 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.894 0.396 19185 1894 1 6 . 1 1 36 36 ALA C C 36 178.059 178.059 179.440 -1.381 19185 1895 1 6 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.629 -1.679 19185 1896 1 6 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.736 1.294 19185 1897 1 6 . 1 1 36 36 ALA H H 36 8.134 8.134 8.035 0.099 19185 1898 1 6 . 1 1 37 37 SER N N 37 113.501 113.501 114.217 -0.716 19185 1899 1 6 . 1 1 37 37 SER HA H 37 4.365 4.365 4.056 0.309 19185 1900 1 6 . 1 1 37 37 SER C C 37 175.384 175.384 176.871 -1.487 19185 1901 1 6 . 1 1 37 37 SER CA C 37 59.127 59.127 61.552 -2.425 19185 1902 1 6 . 1 1 37 37 SER CB C 37 63.379 63.379 62.927 0.452 19185 1903 1 6 . 1 1 37 37 SER H H 37 8.071 8.071 8.194 -0.123 19185 1904 1 6 . 1 1 38 38 SER N N 38 117.437 117.437 116.092 1.345 19185 1905 1 6 . 1 1 38 38 SER HA H 38 4.371 4.371 4.292 0.079 19185 1906 1 6 . 1 1 38 38 SER C C 38 174.828 174.828 176.680 -1.852 19185 1907 1 6 . 1 1 38 38 SER CA C 38 59.485 59.485 61.098 -1.613 19185 1908 1 6 . 1 1 38 38 SER CB C 38 63.379 63.379 63.111 0.268 19185 1909 1 6 . 1 1 38 38 SER H H 38 8.170 8.170 7.751 0.419 19185 1910 1 6 . 1 1 39 39 ASP N N 39 121.556 121.556 123.636 -2.080 19185 1911 1 6 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.398 0.198 19185 1912 1 6 . 1 1 39 39 ASP C C 39 177.226 177.226 178.368 -1.142 19185 1913 1 6 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.322 -2.131 19185 1914 1 6 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.934 -0.539 19185 1915 1 6 . 1 1 39 39 ASP H H 39 8.216 8.216 7.990 0.226 19185 1916 1 6 . 1 1 40 40 LEU N N 40 121.423 121.423 119.315 2.108 19185 1917 1 6 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.072 0.110 19185 1918 1 6 . 1 1 40 40 LEU C C 40 178.109 178.109 179.086 -0.977 19185 1919 1 6 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.264 -0.562 19185 1920 1 6 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.831 -0.323 19185 1921 1 6 . 1 1 40 40 LEU H H 40 8.265 8.265 8.096 0.169 19185 1922 1 6 . 1 1 41 41 ARG N N 41 119.425 119.425 119.376 0.049 19185 1923 1 6 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.016 0.044 19185 1924 1 6 . 1 1 41 41 ARG C C 41 178.160 178.160 178.136 0.024 19185 1925 1 6 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.249 -0.323 19185 1926 1 6 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.000 -0.237 19185 1927 1 6 . 1 1 41 41 ARG H H 41 8.109 8.109 8.072 0.036 19185 1928 1 6 . 1 1 42 42 ASN N N 42 117.770 117.770 118.795 -1.025 19185 1929 1 6 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.524 0.099 19185 1930 1 6 . 1 1 42 42 ASN C C 42 177.049 177.049 177.896 -0.847 19185 1931 1 6 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.192 -1.521 19185 1932 1 6 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.611 -0.645 19185 1933 1 6 . 1 1 42 42 ASN H H 42 8.239 8.239 7.852 0.387 19185 1934 1 6 . 1 1 43 43 LEU N N 43 122.159 122.159 120.273 1.886 19185 1935 1 6 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.022 0.136 19185 1936 1 6 . 1 1 43 43 LEU C C 43 177.504 177.504 178.612 -1.108 19185 1937 1 6 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.711 -0.204 19185 1938 1 6 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.682 0.057 19185 1939 1 6 . 1 1 43 43 LEU H H 43 8.048 8.048 8.055 -0.007 19185 1940 1 6 . 1 1 44 44 LYS N N 44 119.015 119.015 119.628 -0.613 19185 1941 1 6 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.084 -0.188 19185 1942 1 6 . 1 1 44 44 LYS C C 44 178.059 178.059 178.910 -0.851 19185 1943 1 6 . 1 1 44 44 LYS CA C 44 60.139 60.139 58.809 1.330 19185 1944 1 6 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.753 0.643 19185 1945 1 6 . 1 1 44 44 LYS H H 44 8.212 8.212 7.471 0.741 19185 1946 1 6 . 1 1 45 45 THR N N 45 113.770 113.770 114.649 -0.879 19185 1947 1 6 . 1 1 45 45 THR HA H 45 4.032 4.032 4.108 -0.076 19185 1948 1 6 . 1 1 45 45 THR C C 45 176.469 176.469 176.278 0.191 19185 1949 1 6 . 1 1 45 45 THR CA C 45 65.303 65.303 65.671 -0.368 19185 1950 1 6 . 1 1 45 45 THR CB C 45 68.645 68.645 68.529 0.116 19185 1951 1 6 . 1 1 45 45 THR H H 45 8.080 8.080 8.037 0.043 19185 1952 1 6 . 1 1 46 46 ALA N N 46 124.926 124.926 124.348 0.578 19185 1953 1 6 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.173 -0.000 19185 1954 1 6 . 1 1 46 46 ALA C C 46 179.977 179.977 179.539 0.438 19185 1955 1 6 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.174 -0.294 19185 1956 1 6 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.145 0.083 19185 1957 1 6 . 1 1 46 46 ALA H H 46 8.048 8.048 7.641 0.407 19185 1958 1 6 . 1 1 47 47 LEU N N 47 118.030 118.030 118.295 -0.265 19185 1959 1 6 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.990 0.098 19185 1960 1 6 . 1 1 47 47 LEU C C 47 177.832 177.832 179.407 -1.575 19185 1961 1 6 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.322 0.066 19185 1962 1 6 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.632 0.180 19185 1963 1 6 . 1 1 47 47 LEU H H 47 8.257 8.257 7.825 0.432 19185 1964 1 6 . 1 1 48 48 GLU N N 48 117.324 117.324 120.411 -3.087 19185 1965 1 6 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.137 -0.084 19185 1966 1 6 . 1 1 48 48 GLU C C 48 178.690 178.690 179.028 -0.338 19185 1967 1 6 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.292 -0.469 19185 1968 1 6 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.189 -0.540 19185 1969 1 6 . 1 1 48 48 GLU H H 48 8.282 8.282 8.270 0.012 19185 1970 1 6 . 1 1 49 49 SER N N 49 114.057 114.057 115.321 -1.264 19185 1971 1 6 . 1 1 49 49 SER HA H 49 4.330 4.330 4.279 0.051 19185 1972 1 6 . 1 1 49 49 SER C C 49 175.283 175.283 176.772 -1.489 19185 1973 1 6 . 1 1 49 49 SER CA C 49 60.589 60.589 61.055 -0.466 19185 1974 1 6 . 1 1 49 49 SER CB C 49 63.076 63.076 62.829 0.247 19185 1975 1 6 . 1 1 49 49 SER H H 49 8.059 8.059 7.978 0.081 19185 1976 1 6 . 1 1 50 50 ALA N N 50 123.125 123.125 125.120 -1.995 19185 1977 1 6 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.139 0.011 19185 1978 1 6 . 1 1 50 50 ALA C C 50 178.034 178.034 179.313 -1.279 19185 1979 1 6 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.976 -1.216 19185 1980 1 6 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.301 0.223 19185 1981 1 6 . 1 1 50 50 ALA H H 50 7.776 7.776 7.891 -0.115 19185 1982 1 6 . 1 1 51 51 PHE N N 51 114.586 114.586 118.788 -4.202 19185 1983 1 6 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.286 0.304 19185 1984 1 6 . 1 1 51 51 PHE C C 51 175.560 175.560 176.816 -1.256 19185 1985 1 6 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.774 -1.833 19185 1986 1 6 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.393 -0.087 19185 1987 1 6 . 1 1 51 51 PHE H H 51 7.782 7.782 7.947 -0.165 19185 1988 1 6 . 1 1 52 52 ALA N N 52 122.550 122.550 122.104 0.446 19185 1989 1 6 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.975 0.358 19185 1990 1 6 . 1 1 52 52 ALA C C 52 177.529 177.529 178.371 -0.842 19185 1991 1 6 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.371 -1.421 19185 1992 1 6 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.683 0.651 19185 1993 1 6 . 1 1 52 52 ALA H H 52 7.731 7.731 7.983 -0.252 19185 1994 1 6 . 1 1 53 53 ASP N N 53 118.118 118.118 117.817 0.301 19185 1995 1 6 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.481 0.182 19185 1996 1 6 . 1 1 53 53 ASP C C 53 175.686 175.686 175.996 -0.310 19185 1997 1 6 . 1 1 53 53 ASP CA C 53 53.861 53.861 54.462 -0.600 19185 1998 1 6 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.790 -1.672 19185 1999 1 6 . 1 1 53 53 ASP H H 53 8.230 8.230 7.768 0.462 19185 2000 1 6 . 1 1 54 54 ASP N N 54 119.502 119.502 116.999 2.503 19185 2001 1 6 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.319 0.345 19185 2002 1 6 . 1 1 54 54 ASP CA C 54 53.861 53.861 55.056 -1.195 19185 2003 1 6 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.009 -1.121 19185 2004 1 6 . 1 1 54 54 ASP H H 54 8.217 8.217 7.874 0.343 19185 2005 1 6 . 1 1 55 55 GLN N N 55 119.498 119.498 122.851 -3.353 19185 2006 1 6 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.563 -0.240 19185 2007 1 6 . 1 1 55 55 GLN C C 55 175.712 175.712 175.585 0.127 19185 2008 1 6 . 1 1 55 55 GLN CA C 55 55.812 55.812 55.775 0.037 19185 2009 1 6 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.765 -0.406 19185 2010 1 6 . 1 1 55 55 GLN H H 55 8.160 8.160 8.593 -0.433 19185 2011 1 6 . 1 1 56 56 THR N N 56 114.937 114.937 114.654 0.283 19185 2012 1 6 . 1 1 56 56 THR HA H 56 4.217 4.217 4.251 -0.034 19185 2013 1 6 . 1 1 56 56 THR C C 56 173.642 173.642 174.478 -0.836 19185 2014 1 6 . 1 1 56 56 THR CA C 56 61.962 61.962 63.809 -1.847 19185 2015 1 6 . 1 1 56 56 THR CB C 56 69.556 69.556 69.696 -0.140 19185 2016 1 6 . 1 1 56 56 THR H H 56 7.999 7.999 8.107 -0.108 19185 2017 1 6 . 1 1 57 57 TYR N N 57 122.914 122.914 121.762 1.152 19185 2018 1 6 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.688 0.149 19185 2019 1 6 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.415 0.024 19185 2020 1 6 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.580 0.688 19185 2021 1 6 . 1 1 57 57 TYR H H 57 8.113 8.113 7.875 0.238 19185 2022 1 6 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.429 0.395 19185 2023 1 6 . 1 1 58 58 PRO CA C 58 62.976 62.976 62.351 0.625 19185 2024 1 6 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.444 -0.656 19185 2025 1 6 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.440 0.042 19185 2026 1 6 . 1 1 59 59 PRO C C 59 176.873 176.873 177.190 -0.317 19185 2027 1 6 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.240 -0.329 19185 2028 1 6 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.805 0.186 19185 2029 1 6 . 1 1 60 60 GLU N N 60 120.610 120.610 124.784 -4.174 19185 2030 1 6 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.073 0.300 19185 2031 1 6 . 1 1 60 60 GLU C C 60 175.459 175.459 176.842 -1.383 19185 2032 1 6 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.701 -1.713 19185 2033 1 6 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.951 -0.289 19185 2034 1 6 . 1 1 60 60 GLU H H 60 8.410 8.410 8.972 -0.562 19185 2035 1 7 . 1 1 2 2 THR N N 2 112.540 112.540 118.158 -5.618 19185 2036 1 7 . 1 1 2 2 THR HA H 2 4.713 4.713 4.593 0.120 19185 2037 1 7 . 1 1 2 2 THR C C 2 174.853 174.853 175.385 -0.532 19185 2038 1 7 . 1 1 2 2 THR CA C 2 59.734 59.734 61.550 -1.816 19185 2039 1 7 . 1 1 2 2 THR CB C 2 71.378 71.378 70.198 1.180 19185 2040 1 7 . 1 1 2 2 THR H H 2 8.189 8.189 8.432 -0.243 19185 2041 1 7 . 1 1 3 3 LEU N N 3 121.600 121.600 126.620 -5.020 19185 2042 1 7 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.158 -0.057 19185 2043 1 7 . 1 1 3 3 LEU C C 3 178.488 178.488 178.112 0.376 19185 2044 1 7 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.559 0.594 19185 2045 1 7 . 1 1 3 3 LEU CB C 3 41.443 41.443 42.401 -0.958 19185 2046 1 7 . 1 1 3 3 LEU H H 3 8.997 8.997 8.911 0.086 19185 2047 1 7 . 1 1 4 4 ILE N N 4 116.394 116.394 117.850 -1.456 19185 2048 1 7 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.830 -0.032 19185 2049 1 7 . 1 1 4 4 ILE C C 4 176.847 176.847 178.373 -1.526 19185 2050 1 7 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.920 -0.136 19185 2051 1 7 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.089 0.988 19185 2052 1 7 . 1 1 4 4 ILE H H 4 8.173 8.173 8.176 -0.003 19185 2053 1 7 . 1 1 5 5 GLU N N 5 118.842 118.842 119.863 -1.021 19185 2054 1 7 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.058 -0.285 19185 2055 1 7 . 1 1 5 5 GLU C C 5 177.554 177.554 179.578 -2.024 19185 2056 1 7 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.614 -0.016 19185 2057 1 7 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.888 -0.036 19185 2058 1 7 . 1 1 5 5 GLU H H 5 7.394 7.394 7.819 -0.425 19185 2059 1 7 . 1 1 6 6 LEU N N 6 117.867 117.867 120.123 -2.256 19185 2060 1 7 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.051 -0.135 19185 2061 1 7 . 1 1 6 6 LEU C C 6 177.832 177.832 179.316 -1.484 19185 2062 1 7 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.502 0.511 19185 2063 1 7 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.607 0.003 19185 2064 1 7 . 1 1 6 6 LEU H H 6 7.885 7.885 7.474 0.411 19185 2065 1 7 . 1 1 7 7 LEU N N 7 117.636 117.636 120.882 -3.246 19185 2066 1 7 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.970 -0.080 19185 2067 1 7 . 1 1 7 7 LEU C C 7 178.135 178.135 179.262 -1.127 19185 2068 1 7 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.219 -0.308 19185 2069 1 7 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.300 0.167 19185 2070 1 7 . 1 1 7 7 LEU H H 7 8.328 8.328 8.144 0.184 19185 2071 1 7 . 1 1 8 8 ILE N N 8 117.838 117.838 118.827 -0.989 19185 2072 1 7 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.610 -0.041 19185 2073 1 7 . 1 1 8 8 ILE C C 8 177.150 177.150 178.060 -0.910 19185 2074 1 7 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.802 -0.600 19185 2075 1 7 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.934 -0.719 19185 2076 1 7 . 1 1 8 8 ILE H H 8 8.054 8.054 8.017 0.037 19185 2077 1 7 . 1 1 9 9 VAL N N 9 118.866 118.866 120.093 -1.227 19185 2078 1 7 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.570 -0.088 19185 2079 1 7 . 1 1 9 9 VAL C C 9 177.352 177.352 178.009 -0.657 19185 2080 1 7 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.200 0.432 19185 2081 1 7 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.633 -0.351 19185 2082 1 7 . 1 1 9 9 VAL H H 9 8.026 8.026 7.786 0.240 19185 2083 1 7 . 1 1 10 10 VAL N N 10 118.095 118.095 119.020 -0.925 19185 2084 1 7 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.597 -0.154 19185 2085 1 7 . 1 1 10 10 VAL C C 10 176.948 176.948 177.770 -0.822 19185 2086 1 7 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.240 0.895 19185 2087 1 7 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.364 -0.386 19185 2088 1 7 . 1 1 10 10 VAL H H 10 8.399 8.399 8.082 0.317 19185 2089 1 7 . 1 1 11 11 ALA N N 11 121.128 121.128 123.127 -1.999 19185 2090 1 7 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.065 -0.144 19185 2091 1 7 . 1 1 11 11 ALA C C 11 178.816 178.816 179.394 -0.578 19185 2092 1 7 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.349 -0.009 19185 2093 1 7 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.244 -0.576 19185 2094 1 7 . 1 1 11 11 ALA H H 11 8.327 8.327 7.849 0.478 19185 2095 1 7 . 1 1 12 12 ILE N N 12 116.336 116.336 115.768 0.568 19185 2096 1 7 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.640 -0.078 19185 2097 1 7 . 1 1 12 12 ILE C C 12 177.403 177.403 178.039 -0.636 19185 2098 1 7 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.892 0.411 19185 2099 1 7 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.683 -0.326 19185 2100 1 7 . 1 1 12 12 ILE H H 12 8.275 8.275 8.110 0.165 19185 2101 1 7 . 1 1 13 13 ILE N N 13 118.949 118.949 120.216 -1.267 19185 2102 1 7 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.748 -0.200 19185 2103 1 7 . 1 1 13 13 ILE C C 13 177.352 177.352 178.275 -0.923 19185 2104 1 7 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.877 0.533 19185 2105 1 7 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.132 -0.360 19185 2106 1 7 . 1 1 13 13 ILE H H 13 8.313 8.313 7.808 0.505 19185 2107 1 7 . 1 1 14 14 GLY N N 14 106.566 106.566 109.227 -2.661 19185 2108 1 7 . 1 1 14 14 GLY C C 14 174.576 174.576 176.125 -1.549 19185 2109 1 7 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.359 0.150 19185 2110 1 7 . 1 1 14 14 GLY H H 14 8.656 8.656 7.925 0.731 19185 2111 1 7 . 1 1 15 15 ILE N N 15 121.111 121.111 123.191 -2.080 19185 2112 1 7 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.887 -0.261 19185 2113 1 7 . 1 1 15 15 ILE C C 15 177.226 177.226 177.597 -0.371 19185 2114 1 7 . 1 1 15 15 ILE CA C 15 65.302 65.302 63.227 2.075 19185 2115 1 7 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.867 -0.127 19185 2116 1 7 . 1 1 15 15 ILE H H 15 8.310 8.310 7.595 0.715 19185 2117 1 7 . 1 1 16 16 LEU N N 16 117.956 117.956 120.039 -2.083 19185 2118 1 7 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.877 0.089 19185 2119 1 7 . 1 1 16 16 LEU C C 16 178.665 178.665 179.177 -0.512 19185 2120 1 7 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.197 -0.488 19185 2121 1 7 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.036 0.464 19185 2122 1 7 . 1 1 16 16 LEU H H 16 8.250 8.250 7.969 0.281 19185 2123 1 7 . 1 1 17 17 ALA N N 17 119.727 119.727 121.105 -1.378 19185 2124 1 7 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.105 -0.189 19185 2125 1 7 . 1 1 17 17 ALA C C 17 178.160 178.160 179.231 -1.071 19185 2126 1 7 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.897 0.162 19185 2127 1 7 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.086 -0.233 19185 2128 1 7 . 1 1 17 17 ALA H H 17 8.640 8.640 8.107 0.533 19185 2129 1 7 . 1 1 18 18 ALA N N 18 117.791 117.791 121.349 -3.558 19185 2130 1 7 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.128 -0.088 19185 2131 1 7 . 1 1 18 18 ALA C C 18 178.841 178.841 179.171 -0.330 19185 2132 1 7 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.819 -0.373 19185 2133 1 7 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.603 -0.434 19185 2134 1 7 . 1 1 18 18 ALA H H 18 7.983 7.983 7.824 0.159 19185 2135 1 7 . 1 1 19 19 ILE N N 19 112.844 112.844 113.213 -0.369 19185 2136 1 7 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.101 -0.113 19185 2137 1 7 . 1 1 19 19 ILE C C 19 176.696 176.696 177.266 -0.570 19185 2138 1 7 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.912 0.112 19185 2139 1 7 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.743 0.812 19185 2140 1 7 . 1 1 19 19 ILE H H 19 7.701 7.701 7.820 -0.119 19185 2141 1 7 . 1 1 20 20 ALA N N 20 120.774 120.774 123.667 -2.893 19185 2142 1 7 . 1 1 20 20 ALA HA H 20 4.271 4.271 3.660 0.611 19185 2143 1 7 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.011 -1.460 19185 2144 1 7 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.276 1.607 19185 2145 1 7 . 1 1 20 20 ALA H H 20 8.086 8.086 7.396 0.690 19185 2146 1 7 . 1 1 21 21 ILE N N 21 117.619 117.619 118.243 -0.624 19185 2147 1 7 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.832 0.392 19185 2148 1 7 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.138 -4.512 19185 2149 1 7 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.702 1.132 19185 2150 1 7 . 1 1 21 21 ILE H H 21 8.056 8.056 8.190 -0.134 19185 2151 1 7 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.216 0.168 19185 2152 1 7 . 1 1 22 22 PRO CA C 22 65.209 65.209 65.964 -0.755 19185 2153 1 7 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.924 0.604 19185 2154 1 7 . 1 1 23 23 GLN N N 23 115.494 115.494 118.884 -3.390 19185 2155 1 7 . 1 1 23 23 GLN HA H 23 4.200 4.200 3.946 0.254 19185 2156 1 7 . 1 1 23 23 GLN C C 23 176.898 176.898 178.649 -1.751 19185 2157 1 7 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.905 -1.479 19185 2158 1 7 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.337 -0.300 19185 2159 1 7 . 1 1 23 23 GLN H H 23 8.123 8.123 7.669 0.454 19185 2160 1 7 . 1 1 24 24 PHE N N 24 118.541 118.541 117.634 0.907 19185 2161 1 7 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.682 -0.010 19185 2162 1 7 . 1 1 24 24 PHE C C 24 176.494 176.494 177.930 -1.436 19185 2163 1 7 . 1 1 24 24 PHE CA C 24 58.317 58.317 58.786 -0.469 19185 2164 1 7 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.036 -0.124 19185 2165 1 7 . 1 1 24 24 PHE H H 24 8.068 8.068 8.287 -0.219 19185 2166 1 7 . 1 1 25 25 SER N N 25 115.228 115.228 116.979 -1.751 19185 2167 1 7 . 1 1 25 25 SER HA H 25 4.278 4.278 4.151 0.127 19185 2168 1 7 . 1 1 25 25 SER C C 25 175.308 175.308 176.689 -1.381 19185 2169 1 7 . 1 1 25 25 SER CA C 25 60.288 60.288 61.981 -1.693 19185 2170 1 7 . 1 1 25 25 SER CB C 25 63.278 63.278 63.188 0.090 19185 2171 1 7 . 1 1 25 25 SER H H 25 8.081 8.081 8.612 -0.531 19185 2172 1 7 . 1 1 26 26 ALA N N 26 123.792 123.792 122.902 0.890 19185 2173 1 7 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.161 0.035 19185 2174 1 7 . 1 1 26 26 ALA C C 26 178.387 178.387 179.314 -0.927 19185 2175 1 7 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.712 -1.063 19185 2176 1 7 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.129 0.339 19185 2177 1 7 . 1 1 26 26 ALA H H 26 8.151 8.151 8.042 0.109 19185 2178 1 7 . 1 1 27 27 TYR N N 27 116.956 116.956 120.442 -3.486 19185 2179 1 7 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.224 0.156 19185 2180 1 7 . 1 1 27 27 TYR C C 27 176.090 176.090 177.858 -1.768 19185 2181 1 7 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.716 -2.755 19185 2182 1 7 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.769 -0.399 19185 2183 1 7 . 1 1 27 27 TYR H H 27 7.830 7.830 7.684 0.146 19185 2184 1 7 . 1 1 28 28 ARG N N 28 119.962 119.962 117.620 2.342 19185 2185 1 7 . 1 1 28 28 ARG HA H 28 4.134 4.134 4.050 0.084 19185 2186 1 7 . 1 1 28 28 ARG C C 28 176.595 176.595 178.908 -2.313 19185 2187 1 7 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.214 -0.977 19185 2188 1 7 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.459 1.014 19185 2189 1 7 . 1 1 28 28 ARG H H 28 7.814 7.814 8.060 -0.246 19185 2190 1 7 . 1 1 29 29 VAL N N 29 118.483 118.483 120.456 -1.973 19185 2191 1 7 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.738 0.228 19185 2192 1 7 . 1 1 29 29 VAL C C 29 176.545 176.545 177.338 -0.793 19185 2193 1 7 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.863 -3.406 19185 2194 1 7 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.400 0.816 19185 2195 1 7 . 1 1 29 29 VAL H H 29 7.819 7.819 7.858 -0.039 19185 2196 1 7 . 1 1 30 30 LYS N N 30 122.256 122.256 120.558 1.698 19185 2197 1 7 . 1 1 30 30 LYS HA H 30 4.199 4.199 3.884 0.315 19185 2198 1 7 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.906 -2.892 19185 2199 1 7 . 1 1 30 30 LYS CB C 30 32.637 32.637 32.154 0.483 19185 2200 1 7 . 1 1 30 30 LYS H H 30 7.962 7.962 8.101 -0.139 19185 2201 1 7 . 1 1 31 31 ALA N N 31 122.625 122.625 121.234 1.391 19185 2202 1 7 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.004 0.204 19185 2203 1 7 . 1 1 31 31 ALA C C 31 177.680 177.680 179.375 -1.695 19185 2204 1 7 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.634 -1.785 19185 2205 1 7 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.875 1.155 19185 2206 1 7 . 1 1 31 31 ALA H H 31 8.053 8.053 7.841 0.212 19185 2207 1 7 . 1 1 32 32 TYR N N 32 118.444 118.444 119.775 -1.331 19185 2208 1 7 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.085 0.363 19185 2209 1 7 . 1 1 32 32 TYR C C 32 175.686 175.686 177.966 -2.280 19185 2210 1 7 . 1 1 32 32 TYR CA C 32 58.576 58.576 62.181 -3.604 19185 2211 1 7 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.685 -0.214 19185 2212 1 7 . 1 1 32 32 TYR H H 32 8.016 8.016 8.113 -0.097 19185 2213 1 7 . 1 1 33 33 ASN N N 33 119.421 119.421 117.519 1.902 19185 2214 1 7 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.465 0.188 19185 2215 1 7 . 1 1 33 33 ASN C C 33 175.510 175.510 177.916 -2.406 19185 2216 1 7 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.142 -2.584 19185 2217 1 7 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.874 0.917 19185 2218 1 7 . 1 1 33 33 ASN H H 33 8.174 8.174 8.183 -0.009 19185 2219 1 7 . 1 1 34 34 SER N N 34 116.151 116.151 117.890 -1.739 19185 2220 1 7 . 1 1 34 34 SER HA H 34 4.359 4.359 4.119 0.240 19185 2221 1 7 . 1 1 34 34 SER C C 34 174.727 174.727 176.009 -1.282 19185 2222 1 7 . 1 1 34 34 SER CA C 34 59.127 59.127 62.312 -3.185 19185 2223 1 7 . 1 1 34 34 SER CB C 34 63.582 63.582 63.135 0.447 19185 2224 1 7 . 1 1 34 34 SER H H 34 8.143 8.143 8.230 -0.087 19185 2225 1 7 . 1 1 35 35 ALA N N 35 125.119 125.119 123.117 2.002 19185 2226 1 7 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.050 0.287 19185 2227 1 7 . 1 1 35 35 ALA C C 35 177.807 177.807 179.187 -1.380 19185 2228 1 7 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.782 -1.731 19185 2229 1 7 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.068 0.894 19185 2230 1 7 . 1 1 35 35 ALA H H 35 8.204 8.204 8.045 0.159 19185 2231 1 7 . 1 1 36 36 ALA N N 36 121.508 121.508 120.915 0.593 19185 2232 1 7 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.863 0.427 19185 2233 1 7 . 1 1 36 36 ALA C C 36 178.059 178.059 179.708 -1.649 19185 2234 1 7 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.954 -2.004 19185 2235 1 7 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.977 1.053 19185 2236 1 7 . 1 1 36 36 ALA H H 36 8.134 8.134 7.835 0.299 19185 2237 1 7 . 1 1 37 37 SER N N 37 113.501 113.501 114.795 -1.294 19185 2238 1 7 . 1 1 37 37 SER HA H 37 4.365 4.365 4.109 0.256 19185 2239 1 7 . 1 1 37 37 SER C C 37 175.384 175.384 177.005 -1.621 19185 2240 1 7 . 1 1 37 37 SER CA C 37 59.127 59.127 61.693 -2.566 19185 2241 1 7 . 1 1 37 37 SER CB C 37 63.379 63.379 62.652 0.727 19185 2242 1 7 . 1 1 37 37 SER H H 37 8.071 8.071 8.168 -0.096 19185 2243 1 7 . 1 1 38 38 SER N N 38 117.437 117.437 117.350 0.087 19185 2244 1 7 . 1 1 38 38 SER HA H 38 4.371 4.371 4.251 0.120 19185 2245 1 7 . 1 1 38 38 SER C C 38 174.828 174.828 176.277 -1.449 19185 2246 1 7 . 1 1 38 38 SER CA C 38 59.485 59.485 61.917 -2.432 19185 2247 1 7 . 1 1 38 38 SER CB C 38 63.379 63.379 63.094 0.285 19185 2248 1 7 . 1 1 38 38 SER H H 38 8.170 8.170 7.977 0.193 19185 2249 1 7 . 1 1 39 39 ASP N N 39 121.556 121.556 122.840 -1.284 19185 2250 1 7 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.390 0.206 19185 2251 1 7 . 1 1 39 39 ASP C C 39 177.226 177.226 178.032 -0.806 19185 2252 1 7 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.193 -2.002 19185 2253 1 7 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.785 -0.390 19185 2254 1 7 . 1 1 39 39 ASP H H 39 8.216 8.216 8.028 0.188 19185 2255 1 7 . 1 1 40 40 LEU N N 40 121.423 121.423 117.200 4.223 19185 2256 1 7 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.277 -0.095 19185 2257 1 7 . 1 1 40 40 LEU C C 40 178.109 178.109 178.993 -0.884 19185 2258 1 7 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.766 -1.064 19185 2259 1 7 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.352 0.156 19185 2260 1 7 . 1 1 40 40 LEU H H 40 8.265 8.265 7.772 0.493 19185 2261 1 7 . 1 1 41 41 ARG N N 41 119.425 119.425 119.659 -0.234 19185 2262 1 7 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.054 0.006 19185 2263 1 7 . 1 1 41 41 ARG C C 41 178.160 178.160 178.319 -0.159 19185 2264 1 7 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.040 -0.114 19185 2265 1 7 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.252 -0.488 19185 2266 1 7 . 1 1 41 41 ARG H H 41 8.109 8.109 7.743 0.366 19185 2267 1 7 . 1 1 42 42 ASN N N 42 117.770 117.770 118.998 -1.228 19185 2268 1 7 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.524 0.099 19185 2269 1 7 . 1 1 42 42 ASN C C 42 177.049 177.049 177.843 -0.794 19185 2270 1 7 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.380 -1.709 19185 2271 1 7 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.741 -0.776 19185 2272 1 7 . 1 1 42 42 ASN H H 42 8.239 8.239 8.096 0.143 19185 2273 1 7 . 1 1 43 43 LEU N N 43 122.159 122.159 119.454 2.705 19185 2274 1 7 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.088 0.070 19185 2275 1 7 . 1 1 43 43 LEU C C 43 177.504 177.504 178.742 -1.238 19185 2276 1 7 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.354 0.153 19185 2277 1 7 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.732 0.007 19185 2278 1 7 . 1 1 43 43 LEU H H 43 8.048 8.048 8.006 0.042 19185 2279 1 7 . 1 1 44 44 LYS N N 44 119.015 119.015 119.480 -0.465 19185 2280 1 7 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.021 -0.125 19185 2281 1 7 . 1 1 44 44 LYS C C 44 178.059 178.059 178.575 -0.516 19185 2282 1 7 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.413 0.726 19185 2283 1 7 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.372 0.024 19185 2284 1 7 . 1 1 44 44 LYS H H 44 8.212 8.212 7.528 0.684 19185 2285 1 7 . 1 1 45 45 THR N N 45 113.770 113.770 115.295 -1.525 19185 2286 1 7 . 1 1 45 45 THR HA H 45 4.032 4.032 4.132 -0.100 19185 2287 1 7 . 1 1 45 45 THR C C 45 176.469 176.469 176.352 0.117 19185 2288 1 7 . 1 1 45 45 THR CA C 45 65.303 65.303 65.356 -0.053 19185 2289 1 7 . 1 1 45 45 THR CB C 45 68.645 68.645 68.718 -0.073 19185 2290 1 7 . 1 1 45 45 THR H H 45 8.080 8.080 8.048 0.032 19185 2291 1 7 . 1 1 46 46 ALA N N 46 124.926 124.926 124.230 0.696 19185 2292 1 7 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.132 0.041 19185 2293 1 7 . 1 1 46 46 ALA C C 46 179.977 179.977 179.368 0.609 19185 2294 1 7 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.368 -0.488 19185 2295 1 7 . 1 1 46 46 ALA CB C 46 18.228 18.228 17.891 0.337 19185 2296 1 7 . 1 1 46 46 ALA H H 46 8.048 8.048 8.077 -0.029 19185 2297 1 7 . 1 1 47 47 LEU N N 47 118.030 118.030 118.830 -0.800 19185 2298 1 7 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.097 -0.009 19185 2299 1 7 . 1 1 47 47 LEU C C 47 177.832 177.832 178.899 -1.067 19185 2300 1 7 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.565 -0.177 19185 2301 1 7 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.261 0.551 19185 2302 1 7 . 1 1 47 47 LEU H H 47 8.257 8.257 7.590 0.667 19185 2303 1 7 . 1 1 48 48 GLU N N 48 117.324 117.324 118.915 -1.591 19185 2304 1 7 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.129 -0.076 19185 2305 1 7 . 1 1 48 48 GLU C C 48 178.690 178.690 178.495 0.195 19185 2306 1 7 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.018 -0.195 19185 2307 1 7 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.320 -0.671 19185 2308 1 7 . 1 1 48 48 GLU H H 48 8.282 8.282 8.133 0.149 19185 2309 1 7 . 1 1 49 49 SER N N 49 114.057 114.057 114.602 -0.545 19185 2310 1 7 . 1 1 49 49 SER HA H 49 4.330 4.330 4.370 -0.040 19185 2311 1 7 . 1 1 49 49 SER C C 49 175.283 175.283 175.909 -0.626 19185 2312 1 7 . 1 1 49 49 SER CA C 49 60.589 60.589 60.988 -0.399 19185 2313 1 7 . 1 1 49 49 SER CB C 49 63.076 63.076 63.367 -0.291 19185 2314 1 7 . 1 1 49 49 SER H H 49 8.059 8.059 8.071 -0.012 19185 2315 1 7 . 1 1 50 50 ALA N N 50 123.125 123.125 124.594 -1.469 19185 2316 1 7 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.126 0.024 19185 2317 1 7 . 1 1 50 50 ALA C C 50 178.034 178.034 178.830 -0.796 19185 2318 1 7 . 1 1 50 50 ALA CA C 50 53.760 53.760 55.102 -1.342 19185 2319 1 7 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.730 -0.206 19185 2320 1 7 . 1 1 50 50 ALA H H 50 7.776 7.776 8.084 -0.308 19185 2321 1 7 . 1 1 51 51 PHE N N 51 114.586 114.586 117.161 -2.575 19185 2322 1 7 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.409 0.181 19185 2323 1 7 . 1 1 51 51 PHE C C 51 175.560 175.560 175.776 -0.216 19185 2324 1 7 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.450 -1.509 19185 2325 1 7 . 1 1 51 51 PHE CB C 51 39.306 39.306 40.397 -1.091 19185 2326 1 7 . 1 1 51 51 PHE H H 51 7.782 7.782 7.935 -0.153 19185 2327 1 7 . 1 1 52 52 ALA N N 52 122.550 122.550 119.571 2.979 19185 2328 1 7 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.227 0.106 19185 2329 1 7 . 1 1 52 52 ALA C C 52 177.529 177.529 177.017 0.512 19185 2330 1 7 . 1 1 52 52 ALA CA C 52 52.950 52.950 52.870 0.080 19185 2331 1 7 . 1 1 52 52 ALA CB C 52 19.334 19.334 19.143 0.191 19185 2332 1 7 . 1 1 52 52 ALA H H 52 7.731 7.731 7.773 -0.042 19185 2333 1 7 . 1 1 53 53 ASP N N 53 118.118 118.118 118.939 -0.821 19185 2334 1 7 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.671 -0.007 19185 2335 1 7 . 1 1 53 53 ASP C C 53 175.686 175.686 175.543 0.143 19185 2336 1 7 . 1 1 53 53 ASP CA C 53 53.861 53.861 54.542 -0.681 19185 2337 1 7 . 1 1 53 53 ASP CB C 53 40.118 40.118 43.575 -3.457 19185 2338 1 7 . 1 1 53 53 ASP H H 53 8.230 8.230 7.909 0.321 19185 2339 1 7 . 1 1 54 54 ASP N N 54 119.502 119.502 117.716 1.786 19185 2340 1 7 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.744 -0.080 19185 2341 1 7 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.876 -1.015 19185 2342 1 7 . 1 1 54 54 ASP CB C 54 39.888 39.888 42.220 -2.332 19185 2343 1 7 . 1 1 54 54 ASP H H 54 8.217 8.217 7.865 0.352 19185 2344 1 7 . 1 1 55 55 GLN N N 55 119.498 119.498 124.238 -4.740 19185 2345 1 7 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.630 -0.307 19185 2346 1 7 . 1 1 55 55 GLN C C 55 175.712 175.712 175.908 -0.196 19185 2347 1 7 . 1 1 55 55 GLN CA C 55 55.812 55.812 55.363 0.449 19185 2348 1 7 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.578 0.780 19185 2349 1 7 . 1 1 55 55 GLN H H 55 8.160 8.160 8.510 -0.350 19185 2350 1 7 . 1 1 56 56 THR N N 56 114.937 114.937 111.761 3.176 19185 2351 1 7 . 1 1 56 56 THR HA H 56 4.217 4.217 3.990 0.227 19185 2352 1 7 . 1 1 56 56 THR C C 56 173.642 173.642 174.786 -1.144 19185 2353 1 7 . 1 1 56 56 THR CA C 56 61.962 61.962 63.813 -1.851 19185 2354 1 7 . 1 1 56 56 THR CB C 56 69.556 69.556 68.402 1.154 19185 2355 1 7 . 1 1 56 56 THR H H 56 7.999 7.999 7.905 0.094 19185 2356 1 7 . 1 1 57 57 TYR N N 57 122.914 122.914 122.431 0.483 19185 2357 1 7 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.789 0.048 19185 2358 1 7 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.674 0.765 19185 2359 1 7 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.213 0.055 19185 2360 1 7 . 1 1 57 57 TYR H H 57 8.113 8.113 7.747 0.366 19185 2361 1 7 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.644 0.180 19185 2362 1 7 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.543 1.433 19185 2363 1 7 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.354 -0.566 19185 2364 1 7 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.604 -0.122 19185 2365 1 7 . 1 1 59 59 PRO C C 59 176.873 176.873 176.965 -0.092 19185 2366 1 7 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.694 0.217 19185 2367 1 7 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.243 -0.252 19185 2368 1 7 . 1 1 60 60 GLU N N 60 120.610 120.610 117.917 2.693 19185 2369 1 7 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.263 0.110 19185 2370 1 7 . 1 1 60 60 GLU C C 60 175.459 175.459 176.557 -1.098 19185 2371 1 7 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.167 -1.179 19185 2372 1 7 . 1 1 60 60 GLU CB C 60 29.662 29.662 28.902 0.760 19185 2373 1 7 . 1 1 60 60 GLU H H 60 8.410 8.410 8.469 -0.059 19185 2374 1 8 . 1 1 2 2 THR N N 2 112.540 112.540 120.111 -7.571 19185 2375 1 8 . 1 1 2 2 THR HA H 2 4.713 4.713 4.486 0.227 19185 2376 1 8 . 1 1 2 2 THR C C 2 174.853 174.853 175.817 -0.964 19185 2377 1 8 . 1 1 2 2 THR CA C 2 59.734 59.734 61.466 -1.732 19185 2378 1 8 . 1 1 2 2 THR CB C 2 71.378 71.378 69.810 1.568 19185 2379 1 8 . 1 1 2 2 THR H H 2 8.189 8.189 7.312 0.877 19185 2380 1 8 . 1 1 3 3 LEU N N 3 121.600 121.600 124.007 -2.407 19185 2381 1 8 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.071 0.030 19185 2382 1 8 . 1 1 3 3 LEU C C 3 178.488 178.488 178.031 0.457 19185 2383 1 8 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.531 0.622 19185 2384 1 8 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.653 -0.210 19185 2385 1 8 . 1 1 3 3 LEU H H 3 8.997 8.997 8.761 0.236 19185 2386 1 8 . 1 1 4 4 ILE N N 4 116.394 116.394 118.802 -2.408 19185 2387 1 8 . 1 1 4 4 ILE HA H 4 3.798 3.798 4.036 -0.238 19185 2388 1 8 . 1 1 4 4 ILE C C 4 176.847 176.847 178.139 -1.292 19185 2389 1 8 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.588 0.196 19185 2390 1 8 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.108 0.968 19185 2391 1 8 . 1 1 4 4 ILE H H 4 8.173 8.173 7.856 0.317 19185 2392 1 8 . 1 1 5 5 GLU N N 5 118.842 118.842 119.808 -0.966 19185 2393 1 8 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.049 -0.276 19185 2394 1 8 . 1 1 5 5 GLU C C 5 177.554 177.554 179.330 -1.776 19185 2395 1 8 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.540 0.058 19185 2396 1 8 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.769 0.083 19185 2397 1 8 . 1 1 5 5 GLU H H 5 7.394 7.394 8.464 -1.070 19185 2398 1 8 . 1 1 6 6 LEU N N 6 117.867 117.867 118.035 -0.168 19185 2399 1 8 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.181 -0.265 19185 2400 1 8 . 1 1 6 6 LEU C C 6 177.832 177.832 178.499 -0.667 19185 2401 1 8 . 1 1 6 6 LEU CA C 6 58.013 58.013 58.179 -0.166 19185 2402 1 8 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.102 0.508 19185 2403 1 8 . 1 1 6 6 LEU H H 6 7.885 7.885 7.800 0.085 19185 2404 1 8 . 1 1 7 7 LEU N N 7 117.636 117.636 120.381 -2.745 19185 2405 1 8 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.924 -0.034 19185 2406 1 8 . 1 1 7 7 LEU C C 7 178.135 178.135 179.342 -1.207 19185 2407 1 8 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.761 0.151 19185 2408 1 8 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.483 -0.016 19185 2409 1 8 . 1 1 7 7 LEU H H 7 8.328 8.328 7.266 1.062 19185 2410 1 8 . 1 1 8 8 ILE N N 8 117.838 117.838 119.353 -1.515 19185 2411 1 8 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.631 -0.062 19185 2412 1 8 . 1 1 8 8 ILE C C 8 177.150 177.150 177.808 -0.658 19185 2413 1 8 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.523 -0.321 19185 2414 1 8 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.736 -0.520 19185 2415 1 8 . 1 1 8 8 ILE H H 8 8.054 8.054 7.554 0.500 19185 2416 1 8 . 1 1 9 9 VAL N N 9 118.866 118.866 120.098 -1.232 19185 2417 1 8 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.554 -0.072 19185 2418 1 8 . 1 1 9 9 VAL C C 9 177.352 177.352 177.806 -0.454 19185 2419 1 8 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.236 0.396 19185 2420 1 8 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.586 -0.304 19185 2421 1 8 . 1 1 9 9 VAL H H 9 8.026 8.026 7.996 0.030 19185 2422 1 8 . 1 1 10 10 VAL N N 10 118.095 118.095 118.439 -0.344 19185 2423 1 8 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.626 -0.183 19185 2424 1 8 . 1 1 10 10 VAL C C 10 176.948 176.948 176.701 0.247 19185 2425 1 8 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.032 2.102 19185 2426 1 8 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.665 -0.686 19185 2427 1 8 . 1 1 10 10 VAL H H 10 8.399 8.399 8.041 0.358 19185 2428 1 8 . 1 1 11 11 ALA N N 11 121.128 121.128 122.221 -1.093 19185 2429 1 8 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.034 -0.113 19185 2430 1 8 . 1 1 11 11 ALA C C 11 178.816 178.816 179.597 -0.781 19185 2431 1 8 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.277 0.063 19185 2432 1 8 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.273 -0.606 19185 2433 1 8 . 1 1 11 11 ALA H H 11 8.327 8.327 7.531 0.796 19185 2434 1 8 . 1 1 12 12 ILE N N 12 116.336 116.336 115.826 0.510 19185 2435 1 8 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.679 -0.117 19185 2436 1 8 . 1 1 12 12 ILE C C 12 177.403 177.403 178.040 -0.637 19185 2437 1 8 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.880 0.423 19185 2438 1 8 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.772 -0.415 19185 2439 1 8 . 1 1 12 12 ILE H H 12 8.275 8.275 7.841 0.434 19185 2440 1 8 . 1 1 13 13 ILE N N 13 118.949 118.949 119.831 -0.882 19185 2441 1 8 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.783 -0.235 19185 2442 1 8 . 1 1 13 13 ILE C C 13 177.352 177.352 178.198 -0.846 19185 2443 1 8 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.737 0.673 19185 2444 1 8 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.064 -0.292 19185 2445 1 8 . 1 1 13 13 ILE H H 13 8.313 8.313 8.211 0.102 19185 2446 1 8 . 1 1 14 14 GLY N N 14 106.566 106.566 109.156 -2.590 19185 2447 1 8 . 1 1 14 14 GLY C C 14 174.576 174.576 175.939 -1.363 19185 2448 1 8 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.274 0.235 19185 2449 1 8 . 1 1 14 14 GLY H H 14 8.656 8.656 7.707 0.949 19185 2450 1 8 . 1 1 15 15 ILE N N 15 121.111 121.111 123.001 -1.890 19185 2451 1 8 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.722 -0.096 19185 2452 1 8 . 1 1 15 15 ILE C C 15 177.226 177.226 177.668 -0.442 19185 2453 1 8 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.899 0.403 19185 2454 1 8 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.949 -0.209 19185 2455 1 8 . 1 1 15 15 ILE H H 15 8.310 8.310 7.611 0.700 19185 2456 1 8 . 1 1 16 16 LEU N N 16 117.956 117.956 119.717 -1.761 19185 2457 1 8 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.878 0.088 19185 2458 1 8 . 1 1 16 16 LEU C C 16 178.665 178.665 179.165 -0.500 19185 2459 1 8 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.877 -0.168 19185 2460 1 8 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.066 0.433 19185 2461 1 8 . 1 1 16 16 LEU H H 16 8.250 8.250 7.825 0.424 19185 2462 1 8 . 1 1 17 17 ALA N N 17 119.727 119.727 121.241 -1.514 19185 2463 1 8 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.025 -0.109 19185 2464 1 8 . 1 1 17 17 ALA C C 17 178.160 178.160 179.241 -1.081 19185 2465 1 8 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.942 0.117 19185 2466 1 8 . 1 1 17 17 ALA CB C 17 17.853 17.853 17.993 -0.140 19185 2467 1 8 . 1 1 17 17 ALA H H 17 8.640 8.640 8.253 0.387 19185 2468 1 8 . 1 1 18 18 ALA N N 18 117.791 117.791 121.390 -3.599 19185 2469 1 8 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.054 -0.014 19185 2470 1 8 . 1 1 18 18 ALA C C 18 178.841 178.841 179.267 -0.426 19185 2471 1 8 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.929 -0.483 19185 2472 1 8 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.658 -0.489 19185 2473 1 8 . 1 1 18 18 ALA H H 18 7.983 7.983 7.835 0.148 19185 2474 1 8 . 1 1 19 19 ILE N N 19 112.844 112.844 114.553 -1.709 19185 2475 1 8 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.173 -0.185 19185 2476 1 8 . 1 1 19 19 ILE C C 19 176.696 176.696 177.571 -0.875 19185 2477 1 8 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.725 0.299 19185 2478 1 8 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.688 0.867 19185 2479 1 8 . 1 1 19 19 ILE H H 19 7.701 7.701 7.772 -0.071 19185 2480 1 8 . 1 1 20 20 ALA N N 20 120.774 120.774 124.017 -3.243 19185 2481 1 8 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.037 0.234 19185 2482 1 8 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.166 -1.615 19185 2483 1 8 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.151 1.732 19185 2484 1 8 . 1 1 20 20 ALA H H 20 8.086 8.086 7.556 0.530 19185 2485 1 8 . 1 1 21 21 ILE N N 21 117.619 117.619 118.573 -0.954 19185 2486 1 8 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.886 0.338 19185 2487 1 8 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.268 -3.642 19185 2488 1 8 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.469 1.365 19185 2489 1 8 . 1 1 21 21 ILE H H 21 8.056 8.056 8.056 0.000 19185 2490 1 8 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.237 0.147 19185 2491 1 8 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.068 -0.859 19185 2492 1 8 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.078 0.450 19185 2493 1 8 . 1 1 23 23 GLN N N 23 115.494 115.494 118.517 -3.023 19185 2494 1 8 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.097 0.103 19185 2495 1 8 . 1 1 23 23 GLN C C 23 176.898 176.898 178.666 -1.768 19185 2496 1 8 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.947 -1.521 19185 2497 1 8 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.669 -0.632 19185 2498 1 8 . 1 1 23 23 GLN H H 23 8.123 8.123 7.856 0.267 19185 2499 1 8 . 1 1 24 24 PHE N N 24 118.541 118.541 120.243 -1.702 19185 2500 1 8 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.490 0.182 19185 2501 1 8 . 1 1 24 24 PHE C C 24 176.494 176.494 177.186 -0.692 19185 2502 1 8 . 1 1 24 24 PHE CA C 24 58.317 58.317 60.320 -2.003 19185 2503 1 8 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.755 -0.843 19185 2504 1 8 . 1 1 24 24 PHE H H 24 8.068 8.068 8.597 -0.529 19185 2505 1 8 . 1 1 25 25 SER N N 25 115.228 115.228 115.525 -0.297 19185 2506 1 8 . 1 1 25 25 SER HA H 25 4.278 4.278 4.123 0.155 19185 2507 1 8 . 1 1 25 25 SER C C 25 175.308 175.308 177.063 -1.755 19185 2508 1 8 . 1 1 25 25 SER CA C 25 60.288 60.288 61.685 -1.397 19185 2509 1 8 . 1 1 25 25 SER CB C 25 63.278 63.278 63.065 0.214 19185 2510 1 8 . 1 1 25 25 SER H H 25 8.081 8.081 8.352 -0.271 19185 2511 1 8 . 1 1 26 26 ALA N N 26 123.792 123.792 124.294 -0.502 19185 2512 1 8 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.257 -0.061 19185 2513 1 8 . 1 1 26 26 ALA C C 26 178.387 178.387 178.718 -0.331 19185 2514 1 8 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.486 -0.837 19185 2515 1 8 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.322 0.146 19185 2516 1 8 . 1 1 26 26 ALA H H 26 8.151 8.151 8.094 0.057 19185 2517 1 8 . 1 1 27 27 TYR N N 27 116.956 116.956 120.733 -3.777 19185 2518 1 8 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.146 0.234 19185 2519 1 8 . 1 1 27 27 TYR C C 27 176.090 176.090 177.395 -1.305 19185 2520 1 8 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.678 -2.716 19185 2521 1 8 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.731 -0.361 19185 2522 1 8 . 1 1 27 27 TYR H H 27 7.830 7.830 7.709 0.121 19185 2523 1 8 . 1 1 28 28 ARG N N 28 119.962 119.962 118.344 1.618 19185 2524 1 8 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.930 0.204 19185 2525 1 8 . 1 1 28 28 ARG C C 28 176.595 176.595 178.470 -1.875 19185 2526 1 8 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.339 -2.102 19185 2527 1 8 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.492 0.980 19185 2528 1 8 . 1 1 28 28 ARG H H 28 7.814 7.814 8.006 -0.192 19185 2529 1 8 . 1 1 29 29 VAL N N 29 118.483 118.483 120.195 -1.712 19185 2530 1 8 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.968 -0.002 19185 2531 1 8 . 1 1 29 29 VAL C C 29 176.545 176.545 177.388 -0.843 19185 2532 1 8 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.033 -1.576 19185 2533 1 8 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.272 0.944 19185 2534 1 8 . 1 1 29 29 VAL H H 29 7.819 7.819 7.651 0.168 19185 2535 1 8 . 1 1 30 30 LYS N N 30 122.256 122.256 121.465 0.791 19185 2536 1 8 . 1 1 30 30 LYS HA H 30 4.199 4.199 3.957 0.242 19185 2537 1 8 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.950 -2.936 19185 2538 1 8 . 1 1 30 30 LYS CB C 30 32.637 32.637 32.228 0.409 19185 2539 1 8 . 1 1 30 30 LYS H H 30 7.962 7.962 8.165 -0.203 19185 2540 1 8 . 1 1 31 31 ALA N N 31 122.625 122.625 121.100 1.525 19185 2541 1 8 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.980 0.228 19185 2542 1 8 . 1 1 31 31 ALA C C 31 177.680 177.680 179.688 -2.008 19185 2543 1 8 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.524 -1.675 19185 2544 1 8 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.828 1.202 19185 2545 1 8 . 1 1 31 31 ALA H H 31 8.053 8.053 7.696 0.357 19185 2546 1 8 . 1 1 32 32 TYR N N 32 118.444 118.444 120.110 -1.666 19185 2547 1 8 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.033 0.415 19185 2548 1 8 . 1 1 32 32 TYR C C 32 175.686 175.686 177.654 -1.968 19185 2549 1 8 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.769 -3.193 19185 2550 1 8 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.517 -0.046 19185 2551 1 8 . 1 1 32 32 TYR H H 32 8.016 8.016 7.841 0.175 19185 2552 1 8 . 1 1 33 33 ASN N N 33 119.421 119.421 116.330 3.091 19185 2553 1 8 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.198 0.455 19185 2554 1 8 . 1 1 33 33 ASN C C 33 175.510 175.510 177.964 -2.454 19185 2555 1 8 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.032 -2.474 19185 2556 1 8 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.758 1.033 19185 2557 1 8 . 1 1 33 33 ASN H H 33 8.174 8.174 8.286 -0.112 19185 2558 1 8 . 1 1 34 34 SER N N 34 116.151 116.151 116.242 -0.091 19185 2559 1 8 . 1 1 34 34 SER HA H 34 4.359 4.359 4.207 0.152 19185 2560 1 8 . 1 1 34 34 SER C C 34 174.727 174.727 176.020 -1.293 19185 2561 1 8 . 1 1 34 34 SER CA C 34 59.127 59.127 61.715 -2.588 19185 2562 1 8 . 1 1 34 34 SER CB C 34 63.582 63.582 63.017 0.565 19185 2563 1 8 . 1 1 34 34 SER H H 34 8.143 8.143 8.099 0.044 19185 2564 1 8 . 1 1 35 35 ALA N N 35 125.119 125.119 124.083 1.036 19185 2565 1 8 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.168 0.169 19185 2566 1 8 . 1 1 35 35 ALA C C 35 177.807 177.807 179.420 -1.613 19185 2567 1 8 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.672 -1.621 19185 2568 1 8 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.247 0.715 19185 2569 1 8 . 1 1 35 35 ALA H H 35 8.204 8.204 7.427 0.777 19185 2570 1 8 . 1 1 36 36 ALA N N 36 121.508 121.508 121.620 -0.112 19185 2571 1 8 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.890 0.400 19185 2572 1 8 . 1 1 36 36 ALA C C 36 178.059 178.059 179.629 -1.570 19185 2573 1 8 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.733 -1.783 19185 2574 1 8 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.059 0.971 19185 2575 1 8 . 1 1 36 36 ALA H H 36 8.134 8.134 8.041 0.093 19185 2576 1 8 . 1 1 37 37 SER N N 37 113.501 113.501 113.866 -0.365 19185 2577 1 8 . 1 1 37 37 SER HA H 37 4.365 4.365 4.048 0.317 19185 2578 1 8 . 1 1 37 37 SER C C 37 175.384 175.384 176.995 -1.611 19185 2579 1 8 . 1 1 37 37 SER CA C 37 59.127 59.127 62.382 -3.255 19185 2580 1 8 . 1 1 37 37 SER CB C 37 63.379 63.379 63.074 0.305 19185 2581 1 8 . 1 1 37 37 SER H H 37 8.071 8.071 8.086 -0.015 19185 2582 1 8 . 1 1 38 38 SER N N 38 117.437 117.437 116.229 1.208 19185 2583 1 8 . 1 1 38 38 SER HA H 38 4.371 4.371 4.306 0.065 19185 2584 1 8 . 1 1 38 38 SER C C 38 174.828 174.828 176.552 -1.724 19185 2585 1 8 . 1 1 38 38 SER CA C 38 59.485 59.485 61.188 -1.704 19185 2586 1 8 . 1 1 38 38 SER CB C 38 63.379 63.379 63.223 0.156 19185 2587 1 8 . 1 1 38 38 SER H H 38 8.170 8.170 7.906 0.264 19185 2588 1 8 . 1 1 39 39 ASP N N 39 121.556 121.556 124.830 -3.274 19185 2589 1 8 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.446 0.150 19185 2590 1 8 . 1 1 39 39 ASP C C 39 177.226 177.226 178.300 -1.074 19185 2591 1 8 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.212 -2.021 19185 2592 1 8 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.457 -0.062 19185 2593 1 8 . 1 1 39 39 ASP H H 39 8.216 8.216 8.321 -0.105 19185 2594 1 8 . 1 1 40 40 LEU N N 40 121.423 121.423 119.363 2.060 19185 2595 1 8 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.002 0.180 19185 2596 1 8 . 1 1 40 40 LEU C C 40 178.109 178.109 179.314 -1.205 19185 2597 1 8 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.483 -0.781 19185 2598 1 8 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.726 -0.218 19185 2599 1 8 . 1 1 40 40 LEU H H 40 8.265 8.265 8.146 0.119 19185 2600 1 8 . 1 1 41 41 ARG N N 41 119.425 119.425 119.461 -0.036 19185 2601 1 8 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.006 0.054 19185 2602 1 8 . 1 1 41 41 ARG C C 41 178.160 178.160 178.309 -0.149 19185 2603 1 8 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.480 -0.554 19185 2604 1 8 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.061 -0.298 19185 2605 1 8 . 1 1 41 41 ARG H H 41 8.109 8.109 8.097 0.012 19185 2606 1 8 . 1 1 42 42 ASN N N 42 117.770 117.770 118.555 -0.785 19185 2607 1 8 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.553 0.070 19185 2608 1 8 . 1 1 42 42 ASN C C 42 177.049 177.049 178.046 -0.997 19185 2609 1 8 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.763 -1.092 19185 2610 1 8 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.301 -0.336 19185 2611 1 8 . 1 1 42 42 ASN H H 42 8.239 8.239 7.840 0.399 19185 2612 1 8 . 1 1 43 43 LEU N N 43 122.159 122.159 119.581 2.578 19185 2613 1 8 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.129 0.029 19185 2614 1 8 . 1 1 43 43 LEU C C 43 177.504 177.504 178.606 -1.102 19185 2615 1 8 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.408 0.099 19185 2616 1 8 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.752 -0.013 19185 2617 1 8 . 1 1 43 43 LEU H H 43 8.048 8.048 8.599 -0.551 19185 2618 1 8 . 1 1 44 44 LYS N N 44 119.015 119.015 119.720 -0.705 19185 2619 1 8 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.057 -0.161 19185 2620 1 8 . 1 1 44 44 LYS C C 44 178.059 178.059 178.779 -0.720 19185 2621 1 8 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.392 0.747 19185 2622 1 8 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.356 0.040 19185 2623 1 8 . 1 1 44 44 LYS H H 44 8.212 8.212 7.603 0.609 19185 2624 1 8 . 1 1 45 45 THR N N 45 113.770 113.770 114.898 -1.128 19185 2625 1 8 . 1 1 45 45 THR HA H 45 4.032 4.032 4.147 -0.115 19185 2626 1 8 . 1 1 45 45 THR C C 45 176.469 176.469 176.317 0.152 19185 2627 1 8 . 1 1 45 45 THR CA C 45 65.303 65.303 65.395 -0.092 19185 2628 1 8 . 1 1 45 45 THR CB C 45 68.645 68.645 68.674 -0.029 19185 2629 1 8 . 1 1 45 45 THR H H 45 8.080 8.080 7.997 0.083 19185 2630 1 8 . 1 1 46 46 ALA N N 46 124.926 124.926 124.410 0.516 19185 2631 1 8 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.143 0.030 19185 2632 1 8 . 1 1 46 46 ALA C C 46 179.977 179.977 179.309 0.668 19185 2633 1 8 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.086 -0.206 19185 2634 1 8 . 1 1 46 46 ALA CB C 46 18.228 18.228 17.988 0.241 19185 2635 1 8 . 1 1 46 46 ALA H H 46 8.048 8.048 7.627 0.421 19185 2636 1 8 . 1 1 47 47 LEU N N 47 118.030 118.030 119.239 -1.209 19185 2637 1 8 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.059 0.029 19185 2638 1 8 . 1 1 47 47 LEU C C 47 177.832 177.832 179.001 -1.169 19185 2639 1 8 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.685 -0.297 19185 2640 1 8 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.752 0.061 19185 2641 1 8 . 1 1 47 47 LEU H H 47 8.257 8.257 7.683 0.574 19185 2642 1 8 . 1 1 48 48 GLU N N 48 117.324 117.324 118.714 -1.390 19185 2643 1 8 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.066 -0.013 19185 2644 1 8 . 1 1 48 48 GLU C C 48 178.690 178.690 179.206 -0.516 19185 2645 1 8 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.356 -0.533 19185 2646 1 8 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.902 -0.253 19185 2647 1 8 . 1 1 48 48 GLU H H 48 8.282 8.282 8.438 -0.156 19185 2648 1 8 . 1 1 49 49 SER N N 49 114.057 114.057 115.771 -1.714 19185 2649 1 8 . 1 1 49 49 SER HA H 49 4.330 4.330 4.089 0.241 19185 2650 1 8 . 1 1 49 49 SER C C 49 175.283 175.283 176.492 -1.209 19185 2651 1 8 . 1 1 49 49 SER CA C 49 60.589 60.589 61.477 -0.888 19185 2652 1 8 . 1 1 49 49 SER CB C 49 63.076 63.076 62.938 0.138 19185 2653 1 8 . 1 1 49 49 SER H H 49 8.059 8.059 7.922 0.137 19185 2654 1 8 . 1 1 50 50 ALA N N 50 123.125 123.125 123.848 -0.723 19185 2655 1 8 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.192 -0.042 19185 2656 1 8 . 1 1 50 50 ALA C C 50 178.034 178.034 179.302 -1.268 19185 2657 1 8 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.868 -1.108 19185 2658 1 8 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.308 0.216 19185 2659 1 8 . 1 1 50 50 ALA H H 50 7.776 7.776 7.777 -0.001 19185 2660 1 8 . 1 1 51 51 PHE N N 51 114.586 114.586 119.320 -4.734 19185 2661 1 8 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.239 0.351 19185 2662 1 8 . 1 1 51 51 PHE C C 51 175.560 175.560 176.830 -1.270 19185 2663 1 8 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.597 -1.656 19185 2664 1 8 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.370 -0.064 19185 2665 1 8 . 1 1 51 51 PHE H H 51 7.782 7.782 7.757 0.025 19185 2666 1 8 . 1 1 52 52 ALA N N 52 122.550 122.550 121.342 1.208 19185 2667 1 8 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.908 0.425 19185 2668 1 8 . 1 1 52 52 ALA C C 52 177.529 177.529 177.913 -0.384 19185 2669 1 8 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.245 -1.295 19185 2670 1 8 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.226 1.108 19185 2671 1 8 . 1 1 52 52 ALA H H 52 7.731 7.731 8.139 -0.408 19185 2672 1 8 . 1 1 53 53 ASP N N 53 118.118 118.118 118.936 -0.818 19185 2673 1 8 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.284 0.380 19185 2674 1 8 . 1 1 53 53 ASP C C 53 175.686 175.686 178.398 -2.712 19185 2675 1 8 . 1 1 53 53 ASP CA C 53 53.861 53.861 57.477 -3.616 19185 2676 1 8 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.115 -0.997 19185 2677 1 8 . 1 1 53 53 ASP H H 53 8.230 8.230 7.719 0.511 19185 2678 1 8 . 1 1 54 54 ASP N N 54 119.502 119.502 119.366 0.136 19185 2679 1 8 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.317 0.347 19185 2680 1 8 . 1 1 54 54 ASP CA C 54 53.861 53.861 56.874 -3.014 19185 2681 1 8 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.050 -1.162 19185 2682 1 8 . 1 1 54 54 ASP H H 54 8.217 8.217 7.600 0.617 19185 2683 1 8 . 1 1 55 55 GLN N N 55 119.498 119.498 114.467 5.031 19185 2684 1 8 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.093 0.230 19185 2685 1 8 . 1 1 55 55 GLN C C 55 175.712 175.712 175.838 -0.126 19185 2686 1 8 . 1 1 55 55 GLN CA C 55 55.812 55.812 55.609 0.203 19185 2687 1 8 . 1 1 55 55 GLN CB C 55 29.358 29.358 27.619 1.739 19185 2688 1 8 . 1 1 55 55 GLN H H 55 8.160 8.160 7.457 0.703 19185 2689 1 8 . 1 1 56 56 THR N N 56 114.937 114.937 116.004 -1.067 19185 2690 1 8 . 1 1 56 56 THR HA H 56 4.217 4.217 3.986 0.231 19185 2691 1 8 . 1 1 56 56 THR C C 56 173.642 173.642 174.932 -1.290 19185 2692 1 8 . 1 1 56 56 THR CA C 56 61.962 61.962 65.321 -3.359 19185 2693 1 8 . 1 1 56 56 THR CB C 56 69.556 69.556 69.191 0.366 19185 2694 1 8 . 1 1 56 56 THR H H 56 7.999 7.999 7.485 0.514 19185 2695 1 8 . 1 1 57 57 TYR N N 57 122.914 122.914 119.502 3.412 19185 2696 1 8 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.896 -0.059 19185 2697 1 8 . 1 1 57 57 TYR CA C 57 55.439 55.439 53.500 1.939 19185 2698 1 8 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.629 0.639 19185 2699 1 8 . 1 1 57 57 TYR H H 57 8.113 8.113 7.233 0.880 19185 2700 1 8 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.397 0.427 19185 2701 1 8 . 1 1 58 58 PRO CA C 58 62.976 62.976 62.021 0.955 19185 2702 1 8 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.289 -0.501 19185 2703 1 8 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.350 0.132 19185 2704 1 8 . 1 1 59 59 PRO C C 59 176.873 176.873 176.407 0.466 19185 2705 1 8 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.586 -0.675 19185 2706 1 8 . 1 1 59 59 PRO CB C 59 31.991 31.991 30.309 1.682 19185 2707 1 8 . 1 1 60 60 GLU N N 60 120.610 120.610 122.113 -1.503 19185 2708 1 8 . 1 1 60 60 GLU HA H 60 4.373 4.373 3.919 0.454 19185 2709 1 8 . 1 1 60 60 GLU C C 60 175.459 175.459 175.159 0.300 19185 2710 1 8 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.322 -1.333 19185 2711 1 8 . 1 1 60 60 GLU CB C 60 29.662 29.662 28.567 1.095 19185 2712 1 8 . 1 1 60 60 GLU H H 60 8.410 8.410 8.585 -0.175 19185 2713 1 9 . 1 1 2 2 THR N N 2 112.540 112.540 118.061 -5.521 19185 2714 1 9 . 1 1 2 2 THR HA H 2 4.713 4.713 4.592 0.121 19185 2715 1 9 . 1 1 2 2 THR C C 2 174.853 174.853 176.153 -1.300 19185 2716 1 9 . 1 1 2 2 THR CA C 2 59.734 59.734 60.908 -1.174 19185 2717 1 9 . 1 1 2 2 THR CB C 2 71.378 71.378 70.182 1.196 19185 2718 1 9 . 1 1 2 2 THR H H 2 8.189 8.189 8.271 -0.082 19185 2719 1 9 . 1 1 3 3 LEU N N 3 121.600 121.600 124.884 -3.284 19185 2720 1 9 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.177 -0.076 19185 2721 1 9 . 1 1 3 3 LEU C C 3 178.488 178.488 178.187 0.301 19185 2722 1 9 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.147 1.006 19185 2723 1 9 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.744 -0.301 19185 2724 1 9 . 1 1 3 3 LEU H H 3 8.997 8.997 8.871 0.126 19185 2725 1 9 . 1 1 4 4 ILE N N 4 116.394 116.394 119.292 -2.898 19185 2726 1 9 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.704 0.094 19185 2727 1 9 . 1 1 4 4 ILE C C 4 176.847 176.847 178.177 -1.330 19185 2728 1 9 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.228 -0.444 19185 2729 1 9 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.541 0.536 19185 2730 1 9 . 1 1 4 4 ILE H H 4 8.173 8.173 7.622 0.551 19185 2731 1 9 . 1 1 5 5 GLU N N 5 118.842 118.842 119.610 -0.768 19185 2732 1 9 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.080 -0.307 19185 2733 1 9 . 1 1 5 5 GLU C C 5 177.554 177.554 179.566 -2.012 19185 2734 1 9 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.391 0.207 19185 2735 1 9 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.052 -0.201 19185 2736 1 9 . 1 1 5 5 GLU H H 5 7.394 7.394 7.762 -0.368 19185 2737 1 9 . 1 1 6 6 LEU N N 6 117.867 117.867 118.912 -1.045 19185 2738 1 9 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.065 -0.149 19185 2739 1 9 . 1 1 6 6 LEU C C 6 177.832 177.832 179.410 -1.578 19185 2740 1 9 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.203 0.810 19185 2741 1 9 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.552 0.058 19185 2742 1 9 . 1 1 6 6 LEU H H 6 7.885 7.885 7.462 0.423 19185 2743 1 9 . 1 1 7 7 LEU N N 7 117.636 117.636 121.017 -3.381 19185 2744 1 9 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.048 -0.158 19185 2745 1 9 . 1 1 7 7 LEU C C 7 178.135 178.135 178.700 -0.565 19185 2746 1 9 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.949 -0.037 19185 2747 1 9 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.792 -0.325 19185 2748 1 9 . 1 1 7 7 LEU H H 7 8.328 8.328 7.836 0.492 19185 2749 1 9 . 1 1 8 8 ILE N N 8 117.838 117.838 119.664 -1.826 19185 2750 1 9 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.585 -0.016 19185 2751 1 9 . 1 1 8 8 ILE C C 8 177.150 177.150 177.737 -0.587 19185 2752 1 9 . 1 1 8 8 ILE CA C 8 65.202 65.202 66.006 -0.804 19185 2753 1 9 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.927 -0.712 19185 2754 1 9 . 1 1 8 8 ILE H H 8 8.054 8.054 7.864 0.190 19185 2755 1 9 . 1 1 9 9 VAL N N 9 118.866 118.866 119.603 -0.737 19185 2756 1 9 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.567 -0.085 19185 2757 1 9 . 1 1 9 9 VAL C C 9 177.352 177.352 178.000 -0.648 19185 2758 1 9 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.084 0.548 19185 2759 1 9 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.519 -0.237 19185 2760 1 9 . 1 1 9 9 VAL H H 9 8.026 8.026 7.986 0.040 19185 2761 1 9 . 1 1 10 10 VAL N N 10 118.095 118.095 118.673 -0.578 19185 2762 1 9 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.648 -0.205 19185 2763 1 9 . 1 1 10 10 VAL C C 10 176.948 176.948 177.271 -0.323 19185 2764 1 9 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.427 1.707 19185 2765 1 9 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.590 -0.612 19185 2766 1 9 . 1 1 10 10 VAL H H 10 8.399 8.399 7.868 0.531 19185 2767 1 9 . 1 1 11 11 ALA N N 11 121.128 121.128 123.026 -1.898 19185 2768 1 9 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.030 -0.109 19185 2769 1 9 . 1 1 11 11 ALA C C 11 178.816 178.816 179.360 -0.544 19185 2770 1 9 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.348 -0.008 19185 2771 1 9 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.258 -0.590 19185 2772 1 9 . 1 1 11 11 ALA H H 11 8.327 8.327 7.606 0.721 19185 2773 1 9 . 1 1 12 12 ILE N N 12 116.336 116.336 116.092 0.244 19185 2774 1 9 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.637 -0.075 19185 2775 1 9 . 1 1 12 12 ILE C C 12 177.403 177.403 178.030 -0.627 19185 2776 1 9 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.827 0.476 19185 2777 1 9 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.590 -0.233 19185 2778 1 9 . 1 1 12 12 ILE H H 12 8.275 8.275 8.009 0.266 19185 2779 1 9 . 1 1 13 13 ILE N N 13 118.949 118.949 120.532 -1.583 19185 2780 1 9 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.769 -0.221 19185 2781 1 9 . 1 1 13 13 ILE C C 13 177.352 177.352 178.173 -0.821 19185 2782 1 9 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.395 1.015 19185 2783 1 9 . 1 1 13 13 ILE CB C 13 36.772 36.772 36.900 -0.128 19185 2784 1 9 . 1 1 13 13 ILE H H 13 8.313 8.313 7.831 0.482 19185 2785 1 9 . 1 1 14 14 GLY N N 14 106.566 106.566 108.459 -1.893 19185 2786 1 9 . 1 1 14 14 GLY C C 14 174.576 174.576 176.173 -1.597 19185 2787 1 9 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.308 0.201 19185 2788 1 9 . 1 1 14 14 GLY H H 14 8.656 8.656 7.747 0.909 19185 2789 1 9 . 1 1 15 15 ILE N N 15 121.111 121.111 123.092 -1.981 19185 2790 1 9 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.711 -0.085 19185 2791 1 9 . 1 1 15 15 ILE C C 15 177.226 177.226 177.711 -0.485 19185 2792 1 9 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.897 0.405 19185 2793 1 9 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.920 -0.180 19185 2794 1 9 . 1 1 15 15 ILE H H 15 8.310 8.310 7.761 0.549 19185 2795 1 9 . 1 1 16 16 LEU N N 16 117.956 117.956 119.677 -1.721 19185 2796 1 9 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.886 0.080 19185 2797 1 9 . 1 1 16 16 LEU C C 16 178.665 178.665 179.152 -0.487 19185 2798 1 9 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.896 -0.187 19185 2799 1 9 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.063 0.437 19185 2800 1 9 . 1 1 16 16 LEU H H 16 8.250 8.250 7.830 0.420 19185 2801 1 9 . 1 1 17 17 ALA N N 17 119.727 119.727 121.111 -1.384 19185 2802 1 9 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.073 -0.157 19185 2803 1 9 . 1 1 17 17 ALA C C 17 178.160 178.160 179.242 -1.082 19185 2804 1 9 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.746 0.313 19185 2805 1 9 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.131 -0.278 19185 2806 1 9 . 1 1 17 17 ALA H H 17 8.640 8.640 7.814 0.826 19185 2807 1 9 . 1 1 18 18 ALA N N 18 117.791 117.791 121.403 -3.612 19185 2808 1 9 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.064 -0.024 19185 2809 1 9 . 1 1 18 18 ALA C C 18 178.841 178.841 179.170 -0.329 19185 2810 1 9 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.855 -0.409 19185 2811 1 9 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.643 -0.474 19185 2812 1 9 . 1 1 18 18 ALA H H 18 7.983 7.983 7.972 0.011 19185 2813 1 9 . 1 1 19 19 ILE N N 19 112.844 112.844 114.600 -1.756 19185 2814 1 9 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.140 -0.152 19185 2815 1 9 . 1 1 19 19 ILE C C 19 176.696 176.696 177.520 -0.824 19185 2816 1 9 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.882 0.142 19185 2817 1 9 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.575 0.980 19185 2818 1 9 . 1 1 19 19 ILE H H 19 7.701 7.701 7.753 -0.052 19185 2819 1 9 . 1 1 20 20 ALA N N 20 120.774 120.774 123.797 -3.023 19185 2820 1 9 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.035 0.236 19185 2821 1 9 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.106 -1.555 19185 2822 1 9 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.198 1.685 19185 2823 1 9 . 1 1 20 20 ALA H H 20 8.086 8.086 7.355 0.731 19185 2824 1 9 . 1 1 21 21 ILE N N 21 117.619 117.619 118.344 -0.725 19185 2825 1 9 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.873 0.351 19185 2826 1 9 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.146 -3.520 19185 2827 1 9 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.517 1.317 19185 2828 1 9 . 1 1 21 21 ILE H H 21 8.056 8.056 8.100 -0.044 19185 2829 1 9 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.256 0.128 19185 2830 1 9 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.100 -0.891 19185 2831 1 9 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.018 0.510 19185 2832 1 9 . 1 1 23 23 GLN N N 23 115.494 115.494 118.698 -3.204 19185 2833 1 9 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.099 0.101 19185 2834 1 9 . 1 1 23 23 GLN C C 23 176.898 176.898 178.598 -1.700 19185 2835 1 9 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.980 -1.554 19185 2836 1 9 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.611 -0.574 19185 2837 1 9 . 1 1 23 23 GLN H H 23 8.123 8.123 7.819 0.304 19185 2838 1 9 . 1 1 24 24 PHE N N 24 118.541 118.541 120.102 -1.561 19185 2839 1 9 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.367 0.305 19185 2840 1 9 . 1 1 24 24 PHE C C 24 176.494 176.494 177.283 -0.789 19185 2841 1 9 . 1 1 24 24 PHE CA C 24 58.317 58.317 60.862 -2.545 19185 2842 1 9 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.488 -0.576 19185 2843 1 9 . 1 1 24 24 PHE H H 24 8.068 8.068 8.419 -0.351 19185 2844 1 9 . 1 1 25 25 SER N N 25 115.228 115.228 116.252 -1.024 19185 2845 1 9 . 1 1 25 25 SER HA H 25 4.278 4.278 4.031 0.247 19185 2846 1 9 . 1 1 25 25 SER C C 25 175.308 175.308 176.734 -1.426 19185 2847 1 9 . 1 1 25 25 SER CA C 25 60.288 60.288 62.027 -1.739 19185 2848 1 9 . 1 1 25 25 SER CB C 25 63.278 63.278 63.135 0.143 19185 2849 1 9 . 1 1 25 25 SER H H 25 8.081 8.081 8.618 -0.537 19185 2850 1 9 . 1 1 26 26 ALA N N 26 123.792 123.792 122.706 1.086 19185 2851 1 9 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.136 0.060 19185 2852 1 9 . 1 1 26 26 ALA C C 26 178.387 178.387 179.244 -0.857 19185 2853 1 9 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.727 -1.078 19185 2854 1 9 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.218 0.250 19185 2855 1 9 . 1 1 26 26 ALA H H 26 8.151 8.151 7.982 0.169 19185 2856 1 9 . 1 1 27 27 TYR N N 27 116.956 116.956 120.218 -3.262 19185 2857 1 9 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.184 0.196 19185 2858 1 9 . 1 1 27 27 TYR C C 27 176.090 176.090 177.343 -1.253 19185 2859 1 9 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.391 -2.430 19185 2860 1 9 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.791 -0.421 19185 2861 1 9 . 1 1 27 27 TYR H H 27 7.830 7.830 7.653 0.177 19185 2862 1 9 . 1 1 28 28 ARG N N 28 119.962 119.962 118.787 1.175 19185 2863 1 9 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.940 0.194 19185 2864 1 9 . 1 1 28 28 ARG C C 28 176.595 176.595 178.660 -2.065 19185 2865 1 9 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.988 -1.751 19185 2866 1 9 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.618 0.854 19185 2867 1 9 . 1 1 28 28 ARG H H 28 7.814 7.814 8.103 -0.289 19185 2868 1 9 . 1 1 29 29 VAL N N 29 118.483 118.483 121.758 -3.275 19185 2869 1 9 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.702 0.264 19185 2870 1 9 . 1 1 29 29 VAL C C 29 176.545 176.545 177.306 -0.761 19185 2871 1 9 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.170 -2.713 19185 2872 1 9 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.472 0.744 19185 2873 1 9 . 1 1 29 29 VAL H H 29 7.819 7.819 7.831 -0.012 19185 2874 1 9 . 1 1 30 30 LYS N N 30 122.256 122.256 118.916 3.340 19185 2875 1 9 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.021 0.178 19185 2876 1 9 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.343 -2.329 19185 2877 1 9 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.764 0.873 19185 2878 1 9 . 1 1 30 30 LYS H H 30 7.962 7.962 7.878 0.084 19185 2879 1 9 . 1 1 31 31 ALA N N 31 122.625 122.625 122.070 0.555 19185 2880 1 9 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.990 0.218 19185 2881 1 9 . 1 1 31 31 ALA C C 31 177.680 177.680 178.845 -1.165 19185 2882 1 9 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.705 -1.856 19185 2883 1 9 . 1 1 31 31 ALA CB C 31 19.030 19.030 18.100 0.930 19185 2884 1 9 . 1 1 31 31 ALA H H 31 8.053 8.053 7.801 0.252 19185 2885 1 9 . 1 1 32 32 TYR N N 32 118.444 118.444 116.492 1.952 19185 2886 1 9 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.388 0.060 19185 2887 1 9 . 1 1 32 32 TYR C C 32 175.686 175.686 176.002 -0.316 19185 2888 1 9 . 1 1 32 32 TYR CA C 32 58.576 58.576 60.069 -1.493 19185 2889 1 9 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.970 -0.499 19185 2890 1 9 . 1 1 32 32 TYR H H 32 8.016 8.016 7.576 0.440 19185 2891 1 9 . 1 1 33 33 ASN N N 33 119.421 119.421 116.162 3.259 19185 2892 1 9 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.737 -0.084 19185 2893 1 9 . 1 1 33 33 ASN C C 33 175.510 175.510 176.490 -0.980 19185 2894 1 9 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.048 -1.490 19185 2895 1 9 . 1 1 33 33 ASN CB C 33 38.791 38.791 39.983 -1.192 19185 2896 1 9 . 1 1 33 33 ASN H H 33 8.174 8.174 8.247 -0.073 19185 2897 1 9 . 1 1 34 34 SER N N 34 116.151 116.151 116.840 -0.689 19185 2898 1 9 . 1 1 34 34 SER HA H 34 4.359 4.359 4.268 0.091 19185 2899 1 9 . 1 1 34 34 SER C C 34 174.727 174.727 175.611 -0.884 19185 2900 1 9 . 1 1 34 34 SER CA C 34 59.127 59.127 61.039 -1.912 19185 2901 1 9 . 1 1 34 34 SER CB C 34 63.582 63.582 63.251 0.331 19185 2902 1 9 . 1 1 34 34 SER H H 34 8.143 8.143 7.826 0.317 19185 2903 1 9 . 1 1 35 35 ALA N N 35 125.119 125.119 123.092 2.027 19185 2904 1 9 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.157 0.180 19185 2905 1 9 . 1 1 35 35 ALA C C 35 177.807 177.807 179.376 -1.569 19185 2906 1 9 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.685 -1.634 19185 2907 1 9 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.142 0.820 19185 2908 1 9 . 1 1 35 35 ALA H H 35 8.204 8.204 7.674 0.530 19185 2909 1 9 . 1 1 36 36 ALA N N 36 121.508 121.508 120.924 0.584 19185 2910 1 9 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.972 0.318 19185 2911 1 9 . 1 1 36 36 ALA C C 36 178.059 178.059 179.339 -1.280 19185 2912 1 9 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.718 -1.768 19185 2913 1 9 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.783 1.247 19185 2914 1 9 . 1 1 36 36 ALA H H 36 8.134 8.134 7.823 0.311 19185 2915 1 9 . 1 1 37 37 SER N N 37 113.501 113.501 113.004 0.497 19185 2916 1 9 . 1 1 37 37 SER HA H 37 4.365 4.365 4.115 0.250 19185 2917 1 9 . 1 1 37 37 SER C C 37 175.384 175.384 176.534 -1.150 19185 2918 1 9 . 1 1 37 37 SER CA C 37 59.127 59.127 60.936 -1.809 19185 2919 1 9 . 1 1 37 37 SER CB C 37 63.379 63.379 62.887 0.492 19185 2920 1 9 . 1 1 37 37 SER H H 37 8.071 8.071 7.971 0.100 19185 2921 1 9 . 1 1 38 38 SER N N 38 117.437 117.437 117.065 0.372 19185 2922 1 9 . 1 1 38 38 SER HA H 38 4.371 4.371 4.320 0.051 19185 2923 1 9 . 1 1 38 38 SER C C 38 174.828 174.828 176.118 -1.290 19185 2924 1 9 . 1 1 38 38 SER CA C 38 59.485 59.485 61.868 -2.384 19185 2925 1 9 . 1 1 38 38 SER CB C 38 63.379 63.379 63.086 0.293 19185 2926 1 9 . 1 1 38 38 SER H H 38 8.170 8.170 7.858 0.312 19185 2927 1 9 . 1 1 39 39 ASP N N 39 121.556 121.556 123.554 -1.998 19185 2928 1 9 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.429 0.167 19185 2929 1 9 . 1 1 39 39 ASP C C 39 177.226 177.226 178.069 -0.843 19185 2930 1 9 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.267 -2.076 19185 2931 1 9 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.884 -0.489 19185 2932 1 9 . 1 1 39 39 ASP H H 39 8.216 8.216 7.850 0.366 19185 2933 1 9 . 1 1 40 40 LEU N N 40 121.423 121.423 119.416 2.007 19185 2934 1 9 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.083 0.099 19185 2935 1 9 . 1 1 40 40 LEU C C 40 178.109 178.109 178.839 -0.730 19185 2936 1 9 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.523 -0.821 19185 2937 1 9 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.775 -0.267 19185 2938 1 9 . 1 1 40 40 LEU H H 40 8.265 8.265 7.934 0.331 19185 2939 1 9 . 1 1 41 41 ARG N N 41 119.425 119.425 119.858 -0.433 19185 2940 1 9 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.869 0.191 19185 2941 1 9 . 1 1 41 41 ARG C C 41 178.160 178.160 177.855 0.305 19185 2942 1 9 . 1 1 41 41 ARG CA C 41 58.926 58.926 60.066 -1.140 19185 2943 1 9 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.973 -0.210 19185 2944 1 9 . 1 1 41 41 ARG H H 41 8.109 8.109 8.153 -0.044 19185 2945 1 9 . 1 1 42 42 ASN N N 42 117.770 117.770 118.363 -0.593 19185 2946 1 9 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.497 0.126 19185 2947 1 9 . 1 1 42 42 ASN C C 42 177.049 177.049 178.082 -1.033 19185 2948 1 9 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.906 -1.235 19185 2949 1 9 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.145 -0.180 19185 2950 1 9 . 1 1 42 42 ASN H H 42 8.239 8.239 7.881 0.358 19185 2951 1 9 . 1 1 43 43 LEU N N 43 122.159 122.159 119.727 2.432 19185 2952 1 9 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.140 0.018 19185 2953 1 9 . 1 1 43 43 LEU C C 43 177.504 177.504 178.520 -1.016 19185 2954 1 9 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.235 0.272 19185 2955 1 9 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.748 -0.010 19185 2956 1 9 . 1 1 43 43 LEU H H 43 8.048 8.048 7.789 0.259 19185 2957 1 9 . 1 1 44 44 LYS N N 44 119.015 119.015 119.992 -0.977 19185 2958 1 9 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.089 -0.193 19185 2959 1 9 . 1 1 44 44 LYS C C 44 178.059 178.059 178.847 -0.788 19185 2960 1 9 . 1 1 44 44 LYS CA C 44 60.139 60.139 58.960 1.179 19185 2961 1 9 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.779 0.617 19185 2962 1 9 . 1 1 44 44 LYS H H 44 8.212 8.212 7.882 0.330 19185 2963 1 9 . 1 1 45 45 THR N N 45 113.770 113.770 114.273 -0.503 19185 2964 1 9 . 1 1 45 45 THR HA H 45 4.032 4.032 4.322 -0.290 19185 2965 1 9 . 1 1 45 45 THR C C 45 176.469 176.469 176.312 0.157 19185 2966 1 9 . 1 1 45 45 THR CA C 45 65.303 65.303 65.743 -0.440 19185 2967 1 9 . 1 1 45 45 THR CB C 45 68.645 68.645 68.454 0.191 19185 2968 1 9 . 1 1 45 45 THR H H 45 8.080 8.080 8.075 0.005 19185 2969 1 9 . 1 1 46 46 ALA N N 46 124.926 124.926 124.463 0.463 19185 2970 1 9 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.073 0.100 19185 2971 1 9 . 1 1 46 46 ALA C C 46 179.977 179.977 179.810 0.167 19185 2972 1 9 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.110 -0.230 19185 2973 1 9 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.061 0.167 19185 2974 1 9 . 1 1 46 46 ALA H H 46 8.048 8.048 7.480 0.568 19185 2975 1 9 . 1 1 47 47 LEU N N 47 118.030 118.030 119.025 -0.995 19185 2976 1 9 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.886 0.202 19185 2977 1 9 . 1 1 47 47 LEU C C 47 177.832 177.832 179.040 -1.208 19185 2978 1 9 . 1 1 47 47 LEU CA C 47 57.388 57.388 58.311 -0.923 19185 2979 1 9 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.705 0.108 19185 2980 1 9 . 1 1 47 47 LEU H H 47 8.257 8.257 7.830 0.427 19185 2981 1 9 . 1 1 48 48 GLU N N 48 117.324 117.324 118.681 -1.357 19185 2982 1 9 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.101 -0.048 19185 2983 1 9 . 1 1 48 48 GLU C C 48 178.690 178.690 179.408 -0.718 19185 2984 1 9 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.465 -0.642 19185 2985 1 9 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.075 -0.426 19185 2986 1 9 . 1 1 48 48 GLU H H 48 8.282 8.282 8.495 -0.213 19185 2987 1 9 . 1 1 49 49 SER N N 49 114.057 114.057 115.785 -1.728 19185 2988 1 9 . 1 1 49 49 SER HA H 49 4.330 4.330 4.254 0.076 19185 2989 1 9 . 1 1 49 49 SER C C 49 175.283 175.283 176.311 -1.028 19185 2990 1 9 . 1 1 49 49 SER CA C 49 60.589 60.589 60.870 -0.280 19185 2991 1 9 . 1 1 49 49 SER CB C 49 63.076 63.076 62.824 0.252 19185 2992 1 9 . 1 1 49 49 SER H H 49 8.059 8.059 7.947 0.112 19185 2993 1 9 . 1 1 50 50 ALA N N 50 123.125 123.125 125.006 -1.881 19185 2994 1 9 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.105 0.045 19185 2995 1 9 . 1 1 50 50 ALA C C 50 178.034 178.034 179.568 -1.534 19185 2996 1 9 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.731 -0.971 19185 2997 1 9 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.100 0.424 19185 2998 1 9 . 1 1 50 50 ALA H H 50 7.776 7.776 7.611 0.165 19185 2999 1 9 . 1 1 51 51 PHE N N 51 114.586 114.586 118.138 -3.552 19185 3000 1 9 . 1 1 51 51 PHE HA H 51 4.590 4.590 5.025 -0.435 19185 3001 1 9 . 1 1 51 51 PHE C C 51 175.560 175.560 178.185 -2.625 19185 3002 1 9 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.746 -1.805 19185 3003 1 9 . 1 1 51 51 PHE CB C 51 39.306 39.306 38.619 0.687 19185 3004 1 9 . 1 1 51 51 PHE H H 51 7.782 7.782 8.244 -0.462 19185 3005 1 9 . 1 1 52 52 ALA N N 52 122.550 122.550 122.371 0.179 19185 3006 1 9 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.184 0.149 19185 3007 1 9 . 1 1 52 52 ALA C C 52 177.529 177.529 178.990 -1.461 19185 3008 1 9 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.402 -1.452 19185 3009 1 9 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.795 0.539 19185 3010 1 9 . 1 1 52 52 ALA H H 52 7.731 7.731 7.772 -0.041 19185 3011 1 9 . 1 1 53 53 ASP N N 53 118.118 118.118 118.077 0.041 19185 3012 1 9 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.565 0.099 19185 3013 1 9 . 1 1 53 53 ASP C C 53 175.686 175.686 176.345 -0.659 19185 3014 1 9 . 1 1 53 53 ASP CA C 53 53.861 53.861 55.783 -1.922 19185 3015 1 9 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.356 -1.238 19185 3016 1 9 . 1 1 53 53 ASP H H 53 8.230 8.230 8.204 0.026 19185 3017 1 9 . 1 1 54 54 ASP N N 54 119.502 119.502 118.385 1.117 19185 3018 1 9 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.878 -0.214 19185 3019 1 9 . 1 1 54 54 ASP CA C 54 53.861 53.861 53.626 0.235 19185 3020 1 9 . 1 1 54 54 ASP CB C 54 39.888 39.888 43.492 -3.604 19185 3021 1 9 . 1 1 54 54 ASP H H 54 8.217 8.217 8.137 0.080 19185 3022 1 9 . 1 1 55 55 GLN N N 55 119.498 119.498 120.864 -1.366 19185 3023 1 9 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.952 -0.629 19185 3024 1 9 . 1 1 55 55 GLN C C 55 175.712 175.712 175.379 0.333 19185 3025 1 9 . 1 1 55 55 GLN CA C 55 55.812 55.812 54.996 0.816 19185 3026 1 9 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.985 -0.627 19185 3027 1 9 . 1 1 55 55 GLN H H 55 8.160 8.160 8.707 -0.547 19185 3028 1 9 . 1 1 56 56 THR N N 56 114.937 114.937 114.274 0.663 19185 3029 1 9 . 1 1 56 56 THR HA H 56 4.217 4.217 4.484 -0.267 19185 3030 1 9 . 1 1 56 56 THR C C 56 173.642 173.642 173.617 0.025 19185 3031 1 9 . 1 1 56 56 THR CA C 56 61.962 61.962 61.788 0.174 19185 3032 1 9 . 1 1 56 56 THR CB C 56 69.556 69.556 67.436 2.120 19185 3033 1 9 . 1 1 56 56 THR H H 56 7.999 7.999 7.910 0.089 19185 3034 1 9 . 1 1 57 57 TYR N N 57 122.914 122.914 125.764 -2.850 19185 3035 1 9 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.852 -0.015 19185 3036 1 9 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.330 0.109 19185 3037 1 9 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.880 -0.612 19185 3038 1 9 . 1 1 57 57 TYR H H 57 8.113 8.113 8.018 0.095 19185 3039 1 9 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.888 -0.064 19185 3040 1 9 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.826 1.150 19185 3041 1 9 . 1 1 58 58 PRO CB C 58 30.788 30.788 32.682 -1.894 19185 3042 1 9 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.679 -0.197 19185 3043 1 9 . 1 1 59 59 PRO C C 59 176.873 176.873 176.884 -0.011 19185 3044 1 9 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.864 0.047 19185 3045 1 9 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.455 0.536 19185 3046 1 9 . 1 1 60 60 GLU N N 60 120.610 120.610 123.310 -2.700 19185 3047 1 9 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.155 0.218 19185 3048 1 9 . 1 1 60 60 GLU C C 60 175.459 175.459 177.078 -1.619 19185 3049 1 9 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.639 -1.651 19185 3050 1 9 . 1 1 60 60 GLU CB C 60 29.662 29.662 30.045 -0.383 19185 3051 1 9 . 1 1 60 60 GLU H H 60 8.410 8.410 8.957 -0.547 19185 3052 1 10 . 1 1 2 2 THR N N 2 112.540 112.540 115.002 -2.462 19185 3053 1 10 . 1 1 2 2 THR HA H 2 4.713 4.713 4.408 0.305 19185 3054 1 10 . 1 1 2 2 THR C C 2 174.853 174.853 175.525 -0.672 19185 3055 1 10 . 1 1 2 2 THR CA C 2 59.734 59.734 61.463 -1.729 19185 3056 1 10 . 1 1 2 2 THR CB C 2 71.378 71.378 70.358 1.020 19185 3057 1 10 . 1 1 2 2 THR H H 2 8.189 8.189 8.336 -0.147 19185 3058 1 10 . 1 1 3 3 LEU N N 3 121.600 121.600 120.915 0.685 19185 3059 1 10 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.168 -0.067 19185 3060 1 10 . 1 1 3 3 LEU C C 3 178.488 178.488 177.826 0.662 19185 3061 1 10 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.282 0.871 19185 3062 1 10 . 1 1 3 3 LEU CB C 3 41.443 41.443 42.033 -0.590 19185 3063 1 10 . 1 1 3 3 LEU H H 3 8.997 8.997 8.526 0.471 19185 3064 1 10 . 1 1 4 4 ILE N N 4 116.394 116.394 118.130 -1.736 19185 3065 1 10 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.913 -0.115 19185 3066 1 10 . 1 1 4 4 ILE C C 4 176.847 176.847 178.241 -1.394 19185 3067 1 10 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.378 0.406 19185 3068 1 10 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.763 0.314 19185 3069 1 10 . 1 1 4 4 ILE H H 4 8.173 8.173 7.252 0.921 19185 3070 1 10 . 1 1 5 5 GLU N N 5 118.842 118.842 120.557 -1.715 19185 3071 1 10 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.109 -0.336 19185 3072 1 10 . 1 1 5 5 GLU C C 5 177.554 177.554 179.487 -1.933 19185 3073 1 10 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.606 -0.008 19185 3074 1 10 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.384 -0.532 19185 3075 1 10 . 1 1 5 5 GLU H H 5 7.394 7.394 8.211 -0.817 19185 3076 1 10 . 1 1 6 6 LEU N N 6 117.867 117.867 118.406 -0.539 19185 3077 1 10 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.254 -0.338 19185 3078 1 10 . 1 1 6 6 LEU C C 6 177.832 177.832 178.816 -0.984 19185 3079 1 10 . 1 1 6 6 LEU CA C 6 58.013 58.013 58.166 -0.153 19185 3080 1 10 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.264 0.346 19185 3081 1 10 . 1 1 6 6 LEU H H 6 7.885 7.885 7.895 -0.010 19185 3082 1 10 . 1 1 7 7 LEU N N 7 117.636 117.636 121.093 -3.457 19185 3083 1 10 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.994 -0.104 19185 3084 1 10 . 1 1 7 7 LEU C C 7 178.135 178.135 179.183 -1.048 19185 3085 1 10 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.011 -0.099 19185 3086 1 10 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.255 0.212 19185 3087 1 10 . 1 1 7 7 LEU H H 7 8.328 8.328 7.644 0.684 19185 3088 1 10 . 1 1 8 8 ILE N N 8 117.838 117.838 119.251 -1.413 19185 3089 1 10 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.666 -0.097 19185 3090 1 10 . 1 1 8 8 ILE C C 8 177.150 177.150 178.092 -0.942 19185 3091 1 10 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.743 -0.541 19185 3092 1 10 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.907 -0.692 19185 3093 1 10 . 1 1 8 8 ILE H H 8 8.054 8.054 8.101 -0.047 19185 3094 1 10 . 1 1 9 9 VAL N N 9 118.866 118.866 119.758 -0.892 19185 3095 1 10 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.662 -0.180 19185 3096 1 10 . 1 1 9 9 VAL C C 9 177.352 177.352 177.540 -0.188 19185 3097 1 10 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.574 1.058 19185 3098 1 10 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.825 -0.543 19185 3099 1 10 . 1 1 9 9 VAL H H 9 8.026 8.026 7.702 0.324 19185 3100 1 10 . 1 1 10 10 VAL N N 10 118.095 118.095 118.939 -0.844 19185 3101 1 10 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.555 -0.112 19185 3102 1 10 . 1 1 10 10 VAL C C 10 176.948 176.948 177.574 -0.626 19185 3103 1 10 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.552 0.582 19185 3104 1 10 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.338 -0.360 19185 3105 1 10 . 1 1 10 10 VAL H H 10 8.399 8.399 7.507 0.892 19185 3106 1 10 . 1 1 11 11 ALA N N 11 121.128 121.128 122.856 -1.728 19185 3107 1 10 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.040 -0.119 19185 3108 1 10 . 1 1 11 11 ALA C C 11 178.816 178.816 179.497 -0.681 19185 3109 1 10 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.329 0.011 19185 3110 1 10 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.250 -0.582 19185 3111 1 10 . 1 1 11 11 ALA H H 11 8.327 8.327 7.737 0.590 19185 3112 1 10 . 1 1 12 12 ILE N N 12 116.336 116.336 115.551 0.785 19185 3113 1 10 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.638 -0.076 19185 3114 1 10 . 1 1 12 12 ILE C C 12 177.403 177.403 177.925 -0.522 19185 3115 1 10 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.945 0.358 19185 3116 1 10 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.663 -0.306 19185 3117 1 10 . 1 1 12 12 ILE H H 12 8.275 8.275 8.196 0.079 19185 3118 1 10 . 1 1 13 13 ILE N N 13 118.949 118.949 120.388 -1.439 19185 3119 1 10 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.706 -0.158 19185 3120 1 10 . 1 1 13 13 ILE C C 13 177.352 177.352 178.312 -0.960 19185 3121 1 10 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.897 0.513 19185 3122 1 10 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.105 -0.333 19185 3123 1 10 . 1 1 13 13 ILE H H 13 8.313 8.313 7.622 0.691 19185 3124 1 10 . 1 1 14 14 GLY N N 14 106.566 106.566 108.798 -2.232 19185 3125 1 10 . 1 1 14 14 GLY C C 14 174.576 174.576 175.922 -1.346 19185 3126 1 10 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.276 0.233 19185 3127 1 10 . 1 1 14 14 GLY H H 14 8.656 8.656 7.831 0.825 19185 3128 1 10 . 1 1 15 15 ILE N N 15 121.111 121.111 122.969 -1.858 19185 3129 1 10 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.725 -0.099 19185 3130 1 10 . 1 1 15 15 ILE C C 15 177.226 177.226 177.651 -0.425 19185 3131 1 10 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.849 0.453 19185 3132 1 10 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.946 -0.206 19185 3133 1 10 . 1 1 15 15 ILE H H 15 8.310 8.310 7.520 0.790 19185 3134 1 10 . 1 1 16 16 LEU N N 16 117.956 117.956 119.719 -1.763 19185 3135 1 10 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.883 0.083 19185 3136 1 10 . 1 1 16 16 LEU C C 16 178.665 178.665 179.227 -0.562 19185 3137 1 10 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.945 -0.236 19185 3138 1 10 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.063 0.437 19185 3139 1 10 . 1 1 16 16 LEU H H 16 8.250 8.250 7.999 0.251 19185 3140 1 10 . 1 1 17 17 ALA N N 17 119.727 119.727 121.246 -1.519 19185 3141 1 10 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.057 -0.141 19185 3142 1 10 . 1 1 17 17 ALA C C 17 178.160 178.160 179.172 -1.012 19185 3143 1 10 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.923 0.136 19185 3144 1 10 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.079 -0.227 19185 3145 1 10 . 1 1 17 17 ALA H H 17 8.640 8.640 8.001 0.639 19185 3146 1 10 . 1 1 18 18 ALA N N 18 117.791 117.791 121.172 -3.381 19185 3147 1 10 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.097 -0.057 19185 3148 1 10 . 1 1 18 18 ALA C C 18 178.841 178.841 179.130 -0.289 19185 3149 1 10 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.746 -0.300 19185 3150 1 10 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.657 -0.487 19185 3151 1 10 . 1 1 18 18 ALA H H 18 7.983 7.983 7.796 0.187 19185 3152 1 10 . 1 1 19 19 ILE N N 19 112.844 112.844 114.704 -1.860 19185 3153 1 10 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.181 -0.193 19185 3154 1 10 . 1 1 19 19 ILE C C 19 176.696 176.696 177.583 -0.887 19185 3155 1 10 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.740 0.284 19185 3156 1 10 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.643 0.912 19185 3157 1 10 . 1 1 19 19 ILE H H 19 7.701 7.701 7.934 -0.233 19185 3158 1 10 . 1 1 20 20 ALA N N 20 120.774 120.774 123.792 -3.018 19185 3159 1 10 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.027 0.244 19185 3160 1 10 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.132 -1.581 19185 3161 1 10 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.166 1.717 19185 3162 1 10 . 1 1 20 20 ALA H H 20 8.086 8.086 7.561 0.525 19185 3163 1 10 . 1 1 21 21 ILE N N 21 117.619 117.619 118.361 -0.742 19185 3164 1 10 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.862 0.362 19185 3165 1 10 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.110 -4.484 19185 3166 1 10 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.750 1.084 19185 3167 1 10 . 1 1 21 21 ILE H H 21 8.056 8.056 8.243 -0.187 19185 3168 1 10 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.249 0.135 19185 3169 1 10 . 1 1 22 22 PRO CA C 22 65.209 65.209 65.988 -0.779 19185 3170 1 10 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.002 0.526 19185 3171 1 10 . 1 1 23 23 GLN N N 23 115.494 115.494 118.668 -3.174 19185 3172 1 10 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.109 0.091 19185 3173 1 10 . 1 1 23 23 GLN C C 23 176.898 176.898 178.707 -1.809 19185 3174 1 10 . 1 1 23 23 GLN CA C 23 57.426 57.426 59.064 -1.638 19185 3175 1 10 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.741 -0.704 19185 3176 1 10 . 1 1 23 23 GLN H H 23 8.123 8.123 7.945 0.178 19185 3177 1 10 . 1 1 24 24 PHE N N 24 118.541 118.541 119.482 -0.941 19185 3178 1 10 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.623 0.049 19185 3179 1 10 . 1 1 24 24 PHE C C 24 176.494 176.494 177.209 -0.715 19185 3180 1 10 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.314 -0.997 19185 3181 1 10 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.927 -1.015 19185 3182 1 10 . 1 1 24 24 PHE H H 24 8.068 8.068 8.439 -0.371 19185 3183 1 10 . 1 1 25 25 SER N N 25 115.228 115.228 116.882 -1.654 19185 3184 1 10 . 1 1 25 25 SER HA H 25 4.278 4.278 3.932 0.346 19185 3185 1 10 . 1 1 25 25 SER C C 25 175.308 175.308 176.608 -1.300 19185 3186 1 10 . 1 1 25 25 SER CA C 25 60.288 60.288 62.084 -1.796 19185 3187 1 10 . 1 1 25 25 SER CB C 25 63.278 63.278 63.127 0.151 19185 3188 1 10 . 1 1 25 25 SER H H 25 8.081 8.081 8.638 -0.557 19185 3189 1 10 . 1 1 26 26 ALA N N 26 123.792 123.792 122.573 1.219 19185 3190 1 10 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.108 0.088 19185 3191 1 10 . 1 1 26 26 ALA C C 26 178.387 178.387 179.132 -0.745 19185 3192 1 10 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.629 -0.980 19185 3193 1 10 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.113 0.355 19185 3194 1 10 . 1 1 26 26 ALA H H 26 8.151 8.151 7.942 0.209 19185 3195 1 10 . 1 1 27 27 TYR N N 27 116.956 116.956 120.216 -3.260 19185 3196 1 10 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.093 0.287 19185 3197 1 10 . 1 1 27 27 TYR C C 27 176.090 176.090 177.615 -1.525 19185 3198 1 10 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.425 -2.464 19185 3199 1 10 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.460 -0.090 19185 3200 1 10 . 1 1 27 27 TYR H H 27 7.830 7.830 7.585 0.245 19185 3201 1 10 . 1 1 28 28 ARG N N 28 119.962 119.962 117.857 2.105 19185 3202 1 10 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.789 0.345 19185 3203 1 10 . 1 1 28 28 ARG C C 28 176.595 176.595 178.844 -2.249 19185 3204 1 10 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.058 -1.821 19185 3205 1 10 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.837 0.635 19185 3206 1 10 . 1 1 28 28 ARG H H 28 7.814 7.814 7.901 -0.087 19185 3207 1 10 . 1 1 29 29 VAL N N 29 118.483 118.483 119.895 -1.412 19185 3208 1 10 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.713 0.253 19185 3209 1 10 . 1 1 29 29 VAL C C 29 176.545 176.545 177.363 -0.818 19185 3210 1 10 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.213 -2.756 19185 3211 1 10 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.265 0.951 19185 3212 1 10 . 1 1 29 29 VAL H H 29 7.819 7.819 7.781 0.038 19185 3213 1 10 . 1 1 30 30 LYS N N 30 122.256 122.256 119.085 3.171 19185 3214 1 10 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.037 0.162 19185 3215 1 10 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.410 -2.396 19185 3216 1 10 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.950 0.687 19185 3217 1 10 . 1 1 30 30 LYS H H 30 7.962 7.962 7.862 0.100 19185 3218 1 10 . 1 1 31 31 ALA N N 31 122.625 122.625 121.979 0.646 19185 3219 1 10 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.063 0.145 19185 3220 1 10 . 1 1 31 31 ALA C C 31 177.680 177.680 179.185 -1.505 19185 3221 1 10 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.334 -1.485 19185 3222 1 10 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.954 1.076 19185 3223 1 10 . 1 1 31 31 ALA H H 31 8.053 8.053 7.936 0.117 19185 3224 1 10 . 1 1 32 32 TYR N N 32 118.444 118.444 118.816 -0.372 19185 3225 1 10 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.241 0.207 19185 3226 1 10 . 1 1 32 32 TYR C C 32 175.686 175.686 176.616 -0.930 19185 3227 1 10 . 1 1 32 32 TYR CA C 32 58.576 58.576 60.548 -1.972 19185 3228 1 10 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.645 -0.174 19185 3229 1 10 . 1 1 32 32 TYR H H 32 8.016 8.016 7.879 0.137 19185 3230 1 10 . 1 1 33 33 ASN N N 33 119.421 119.421 117.324 2.097 19185 3231 1 10 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.570 0.083 19185 3232 1 10 . 1 1 33 33 ASN C C 33 175.510 175.510 176.746 -1.236 19185 3233 1 10 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.328 -1.770 19185 3234 1 10 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.697 0.094 19185 3235 1 10 . 1 1 33 33 ASN H H 33 8.174 8.174 7.860 0.314 19185 3236 1 10 . 1 1 34 34 SER N N 34 116.151 116.151 117.012 -0.861 19185 3237 1 10 . 1 1 34 34 SER HA H 34 4.359 4.359 4.265 0.094 19185 3238 1 10 . 1 1 34 34 SER C C 34 174.727 174.727 176.190 -1.463 19185 3239 1 10 . 1 1 34 34 SER CA C 34 59.127 59.127 61.558 -2.431 19185 3240 1 10 . 1 1 34 34 SER CB C 34 63.582 63.582 63.070 0.512 19185 3241 1 10 . 1 1 34 34 SER H H 34 8.143 8.143 8.221 -0.078 19185 3242 1 10 . 1 1 35 35 ALA N N 35 125.119 125.119 123.216 1.903 19185 3243 1 10 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.099 0.238 19185 3244 1 10 . 1 1 35 35 ALA C C 35 177.807 177.807 179.198 -1.391 19185 3245 1 10 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.597 -1.546 19185 3246 1 10 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.087 0.875 19185 3247 1 10 . 1 1 35 35 ALA H H 35 8.204 8.204 7.619 0.585 19185 3248 1 10 . 1 1 36 36 ALA N N 36 121.508 121.508 121.693 -0.185 19185 3249 1 10 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.882 0.408 19185 3250 1 10 . 1 1 36 36 ALA C C 36 178.059 178.059 179.551 -1.492 19185 3251 1 10 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.801 -1.851 19185 3252 1 10 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.988 1.042 19185 3253 1 10 . 1 1 36 36 ALA H H 36 8.134 8.134 7.938 0.196 19185 3254 1 10 . 1 1 37 37 SER N N 37 113.501 113.501 114.128 -0.627 19185 3255 1 10 . 1 1 37 37 SER HA H 37 4.365 4.365 3.977 0.388 19185 3256 1 10 . 1 1 37 37 SER C C 37 175.384 175.384 176.937 -1.553 19185 3257 1 10 . 1 1 37 37 SER CA C 37 59.127 59.127 62.384 -3.257 19185 3258 1 10 . 1 1 37 37 SER CB C 37 63.379 63.379 62.835 0.544 19185 3259 1 10 . 1 1 37 37 SER H H 37 8.071 8.071 8.146 -0.075 19185 3260 1 10 . 1 1 38 38 SER N N 38 117.437 117.437 116.181 1.256 19185 3261 1 10 . 1 1 38 38 SER HA H 38 4.371 4.371 4.219 0.152 19185 3262 1 10 . 1 1 38 38 SER C C 38 174.828 174.828 176.408 -1.580 19185 3263 1 10 . 1 1 38 38 SER CA C 38 59.485 59.485 60.813 -1.328 19185 3264 1 10 . 1 1 38 38 SER CB C 38 63.379 63.379 63.016 0.363 19185 3265 1 10 . 1 1 38 38 SER H H 38 8.170 8.170 7.911 0.259 19185 3266 1 10 . 1 1 39 39 ASP N N 39 121.556 121.556 123.221 -1.665 19185 3267 1 10 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.395 0.201 19185 3268 1 10 . 1 1 39 39 ASP C C 39 177.226 177.226 178.475 -1.249 19185 3269 1 10 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.118 -1.927 19185 3270 1 10 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.903 -0.507 19185 3271 1 10 . 1 1 39 39 ASP H H 39 8.216 8.216 7.846 0.370 19185 3272 1 10 . 1 1 40 40 LEU N N 40 121.423 121.423 118.841 2.582 19185 3273 1 10 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.078 0.104 19185 3274 1 10 . 1 1 40 40 LEU C C 40 178.109 178.109 179.016 -0.907 19185 3275 1 10 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.349 -0.647 19185 3276 1 10 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.739 -0.230 19185 3277 1 10 . 1 1 40 40 LEU H H 40 8.265 8.265 7.886 0.379 19185 3278 1 10 . 1 1 41 41 ARG N N 41 119.425 119.425 119.692 -0.267 19185 3279 1 10 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.981 0.079 19185 3280 1 10 . 1 1 41 41 ARG C C 41 178.160 178.160 178.301 -0.141 19185 3281 1 10 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.386 -0.460 19185 3282 1 10 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.008 -0.245 19185 3283 1 10 . 1 1 41 41 ARG H H 41 8.109 8.109 8.157 -0.048 19185 3284 1 10 . 1 1 42 42 ASN N N 42 117.770 117.770 118.811 -1.041 19185 3285 1 10 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.480 0.143 19185 3286 1 10 . 1 1 42 42 ASN C C 42 177.049 177.049 177.782 -0.733 19185 3287 1 10 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.420 -1.749 19185 3288 1 10 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.534 -0.569 19185 3289 1 10 . 1 1 42 42 ASN H H 42 8.239 8.239 8.012 0.227 19185 3290 1 10 . 1 1 43 43 LEU N N 43 122.159 122.159 120.102 2.057 19185 3291 1 10 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.077 0.081 19185 3292 1 10 . 1 1 43 43 LEU C C 43 177.504 177.504 178.966 -1.462 19185 3293 1 10 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.502 0.005 19185 3294 1 10 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.858 -0.119 19185 3295 1 10 . 1 1 43 43 LEU H H 43 8.048 8.048 7.776 0.272 19185 3296 1 10 . 1 1 44 44 LYS N N 44 119.015 119.015 119.279 -0.264 19185 3297 1 10 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.110 -0.214 19185 3298 1 10 . 1 1 44 44 LYS C C 44 178.059 178.059 178.637 -0.578 19185 3299 1 10 . 1 1 44 44 LYS CA C 44 60.139 60.139 58.453 1.686 19185 3300 1 10 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.681 0.715 19185 3301 1 10 . 1 1 44 44 LYS H H 44 8.212 8.212 7.703 0.509 19185 3302 1 10 . 1 1 45 45 THR N N 45 113.770 113.770 115.090 -1.320 19185 3303 1 10 . 1 1 45 45 THR HA H 45 4.032 4.032 4.157 -0.125 19185 3304 1 10 . 1 1 45 45 THR C C 45 176.469 176.469 176.301 0.168 19185 3305 1 10 . 1 1 45 45 THR CA C 45 65.303 65.303 65.684 -0.381 19185 3306 1 10 . 1 1 45 45 THR CB C 45 68.645 68.645 68.623 0.022 19185 3307 1 10 . 1 1 45 45 THR H H 45 8.080 8.080 8.086 -0.006 19185 3308 1 10 . 1 1 46 46 ALA N N 46 124.926 124.926 123.596 1.330 19185 3309 1 10 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.220 -0.047 19185 3310 1 10 . 1 1 46 46 ALA C C 46 179.977 179.977 179.236 0.741 19185 3311 1 10 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.684 0.196 19185 3312 1 10 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.156 0.072 19185 3313 1 10 . 1 1 46 46 ALA H H 46 8.048 8.048 7.627 0.421 19185 3314 1 10 . 1 1 47 47 LEU N N 47 118.030 118.030 120.431 -2.401 19185 3315 1 10 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.983 0.105 19185 3316 1 10 . 1 1 47 47 LEU C C 47 177.832 177.832 178.685 -0.853 19185 3317 1 10 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.985 -0.597 19185 3318 1 10 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.690 0.122 19185 3319 1 10 . 1 1 47 47 LEU H H 47 8.257 8.257 7.719 0.538 19185 3320 1 10 . 1 1 48 48 GLU N N 48 117.324 117.324 117.511 -0.187 19185 3321 1 10 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.082 -0.029 19185 3322 1 10 . 1 1 48 48 GLU C C 48 178.690 178.690 179.754 -1.064 19185 3323 1 10 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.096 -0.273 19185 3324 1 10 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.799 -0.150 19185 3325 1 10 . 1 1 48 48 GLU H H 48 8.282 8.282 8.137 0.145 19185 3326 1 10 . 1 1 49 49 SER N N 49 114.057 114.057 115.511 -1.454 19185 3327 1 10 . 1 1 49 49 SER HA H 49 4.330 4.330 4.238 0.092 19185 3328 1 10 . 1 1 49 49 SER C C 49 175.283 175.283 176.537 -1.254 19185 3329 1 10 . 1 1 49 49 SER CA C 49 60.589 60.589 61.118 -0.529 19185 3330 1 10 . 1 1 49 49 SER CB C 49 63.076 63.076 62.926 0.150 19185 3331 1 10 . 1 1 49 49 SER H H 49 8.059 8.059 7.700 0.359 19185 3332 1 10 . 1 1 50 50 ALA N N 50 123.125 123.125 123.622 -0.497 19185 3333 1 10 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.244 -0.094 19185 3334 1 10 . 1 1 50 50 ALA C C 50 178.034 178.034 179.258 -1.224 19185 3335 1 10 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.654 -0.894 19185 3336 1 10 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.452 0.072 19185 3337 1 10 . 1 1 50 50 ALA H H 50 7.776 7.776 7.544 0.232 19185 3338 1 10 . 1 1 51 51 PHE N N 51 114.586 114.586 120.162 -5.576 19185 3339 1 10 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.463 0.127 19185 3340 1 10 . 1 1 51 51 PHE C C 51 175.560 175.560 177.215 -1.655 19185 3341 1 10 . 1 1 51 51 PHE CA C 51 57.941 57.941 60.509 -2.568 19185 3342 1 10 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.271 0.035 19185 3343 1 10 . 1 1 51 51 PHE H H 51 7.782 7.782 8.621 -0.839 19185 3344 1 10 . 1 1 52 52 ALA N N 52 122.550 122.550 120.697 1.853 19185 3345 1 10 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.961 0.372 19185 3346 1 10 . 1 1 52 52 ALA C C 52 177.529 177.529 179.146 -1.617 19185 3347 1 10 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.635 -1.685 19185 3348 1 10 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.152 1.182 19185 3349 1 10 . 1 1 52 52 ALA H H 52 7.731 7.731 7.763 -0.032 19185 3350 1 10 . 1 1 53 53 ASP N N 53 118.118 118.118 119.022 -0.904 19185 3351 1 10 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.329 0.335 19185 3352 1 10 . 1 1 53 53 ASP C C 53 175.686 175.686 177.269 -1.583 19185 3353 1 10 . 1 1 53 53 ASP CA C 53 53.861 53.861 57.128 -3.267 19185 3354 1 10 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.061 -0.943 19185 3355 1 10 . 1 1 53 53 ASP H H 53 8.230 8.230 7.657 0.573 19185 3356 1 10 . 1 1 54 54 ASP N N 54 119.502 119.502 116.741 2.761 19185 3357 1 10 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.361 0.303 19185 3358 1 10 . 1 1 54 54 ASP CA C 54 53.861 53.861 56.304 -2.443 19185 3359 1 10 . 1 1 54 54 ASP CB C 54 39.888 39.888 40.532 -0.644 19185 3360 1 10 . 1 1 54 54 ASP H H 54 8.217 8.217 7.915 0.302 19185 3361 1 10 . 1 1 55 55 GLN N N 55 119.498 119.498 118.812 0.686 19185 3362 1 10 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.274 0.049 19185 3363 1 10 . 1 1 55 55 GLN C C 55 175.712 175.712 177.399 -1.687 19185 3364 1 10 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.798 -1.986 19185 3365 1 10 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.461 -0.103 19185 3366 1 10 . 1 1 55 55 GLN H H 55 8.160 8.160 7.943 0.217 19185 3367 1 10 . 1 1 56 56 THR N N 56 114.937 114.937 113.828 1.109 19185 3368 1 10 . 1 1 56 56 THR HA H 56 4.217 4.217 4.316 -0.099 19185 3369 1 10 . 1 1 56 56 THR C C 56 173.642 173.642 173.911 -0.269 19185 3370 1 10 . 1 1 56 56 THR CA C 56 61.962 61.962 61.120 0.842 19185 3371 1 10 . 1 1 56 56 THR CB C 56 69.556 69.556 67.527 2.029 19185 3372 1 10 . 1 1 56 56 THR H H 56 7.999 7.999 7.733 0.266 19185 3373 1 10 . 1 1 57 57 TYR N N 57 122.914 122.914 124.088 -1.174 19185 3374 1 10 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.882 -0.045 19185 3375 1 10 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.083 1.356 19185 3376 1 10 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.738 0.530 19185 3377 1 10 . 1 1 57 57 TYR H H 57 8.113 8.113 7.253 0.860 19185 3378 1 10 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.544 0.280 19185 3379 1 10 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.738 1.238 19185 3380 1 10 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.266 -0.478 19185 3381 1 10 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.374 0.108 19185 3382 1 10 . 1 1 59 59 PRO C C 59 176.873 176.873 176.616 0.257 19185 3383 1 10 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.827 0.084 19185 3384 1 10 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.730 0.261 19185 3385 1 10 . 1 1 60 60 GLU N N 60 120.610 120.610 125.075 -4.465 19185 3386 1 10 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.257 0.116 19185 3387 1 10 . 1 1 60 60 GLU C C 60 175.459 175.459 175.867 -0.408 19185 3388 1 10 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.175 -0.187 19185 3389 1 10 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.406 0.256 19185 3390 1 10 . 1 1 60 60 GLU H H 60 8.410 8.410 8.654 -0.244 19185 3391 1 11 . 1 1 2 2 THR N N 2 112.540 112.540 114.952 -2.412 19185 3392 1 11 . 1 1 2 2 THR HA H 2 4.713 4.713 4.760 -0.047 19185 3393 1 11 . 1 1 2 2 THR C C 2 174.853 174.853 175.432 -0.579 19185 3394 1 11 . 1 1 2 2 THR CA C 2 59.734 59.734 61.309 -1.575 19185 3395 1 11 . 1 1 2 2 THR CB C 2 71.378 71.378 71.657 -0.279 19185 3396 1 11 . 1 1 2 2 THR H H 2 8.189 8.189 8.168 0.021 19185 3397 1 11 . 1 1 3 3 LEU N N 3 121.600 121.600 120.444 1.156 19185 3398 1 11 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.243 -0.142 19185 3399 1 11 . 1 1 3 3 LEU C C 3 178.488 178.488 178.220 0.268 19185 3400 1 11 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.152 1.001 19185 3401 1 11 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.681 -0.238 19185 3402 1 11 . 1 1 3 3 LEU H H 3 8.997 8.997 8.743 0.254 19185 3403 1 11 . 1 1 4 4 ILE N N 4 116.394 116.394 120.052 -3.658 19185 3404 1 11 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.831 -0.033 19185 3405 1 11 . 1 1 4 4 ILE C C 4 176.847 176.847 178.565 -1.718 19185 3406 1 11 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.740 0.044 19185 3407 1 11 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.325 0.751 19185 3408 1 11 . 1 1 4 4 ILE H H 4 8.173 8.173 7.825 0.348 19185 3409 1 11 . 1 1 5 5 GLU N N 5 118.842 118.842 119.990 -1.148 19185 3410 1 11 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.056 -0.283 19185 3411 1 11 . 1 1 5 5 GLU C C 5 177.554 177.554 179.633 -2.079 19185 3412 1 11 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.406 0.192 19185 3413 1 11 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.219 -0.367 19185 3414 1 11 . 1 1 5 5 GLU H H 5 7.394 7.394 7.814 -0.420 19185 3415 1 11 . 1 1 6 6 LEU N N 6 117.867 117.867 119.784 -1.917 19185 3416 1 11 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.079 -0.163 19185 3417 1 11 . 1 1 6 6 LEU C C 6 177.832 177.832 179.227 -1.395 19185 3418 1 11 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.546 0.467 19185 3419 1 11 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.643 -0.033 19185 3420 1 11 . 1 1 6 6 LEU H H 6 7.885 7.885 7.805 0.080 19185 3421 1 11 . 1 1 7 7 LEU N N 7 117.636 117.636 120.751 -3.115 19185 3422 1 11 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.964 -0.074 19185 3423 1 11 . 1 1 7 7 LEU C C 7 178.135 178.135 178.894 -0.759 19185 3424 1 11 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.046 -0.134 19185 3425 1 11 . 1 1 7 7 LEU CB C 7 41.467 41.467 42.034 -0.567 19185 3426 1 11 . 1 1 7 7 LEU H H 7 8.328 8.328 7.724 0.604 19185 3427 1 11 . 1 1 8 8 ILE N N 8 117.838 117.838 119.242 -1.404 19185 3428 1 11 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.614 -0.045 19185 3429 1 11 . 1 1 8 8 ILE C C 8 177.150 177.150 177.858 -0.708 19185 3430 1 11 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.742 -0.540 19185 3431 1 11 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.946 -0.731 19185 3432 1 11 . 1 1 8 8 ILE H H 8 8.054 8.054 7.871 0.183 19185 3433 1 11 . 1 1 9 9 VAL N N 9 118.866 118.866 120.062 -1.196 19185 3434 1 11 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.597 -0.115 19185 3435 1 11 . 1 1 9 9 VAL C C 9 177.352 177.352 177.867 -0.515 19185 3436 1 11 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.204 0.428 19185 3437 1 11 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.665 -0.383 19185 3438 1 11 . 1 1 9 9 VAL H H 9 8.026 8.026 8.041 -0.015 19185 3439 1 11 . 1 1 10 10 VAL N N 10 118.095 118.095 118.697 -0.602 19185 3440 1 11 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.639 -0.196 19185 3441 1 11 . 1 1 10 10 VAL C C 10 176.948 176.948 176.665 0.283 19185 3442 1 11 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.189 1.945 19185 3443 1 11 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.727 -0.748 19185 3444 1 11 . 1 1 10 10 VAL H H 10 8.399 8.399 7.934 0.465 19185 3445 1 11 . 1 1 11 11 ALA N N 11 121.128 121.128 122.042 -0.914 19185 3446 1 11 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.067 -0.146 19185 3447 1 11 . 1 1 11 11 ALA C C 11 178.816 178.816 179.519 -0.703 19185 3448 1 11 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.243 0.097 19185 3449 1 11 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.322 -0.654 19185 3450 1 11 . 1 1 11 11 ALA H H 11 8.327 8.327 7.588 0.739 19185 3451 1 11 . 1 1 12 12 ILE N N 12 116.336 116.336 116.495 -0.159 19185 3452 1 11 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.599 -0.037 19185 3453 1 11 . 1 1 12 12 ILE C C 12 177.403 177.403 178.010 -0.607 19185 3454 1 11 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.967 0.336 19185 3455 1 11 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.630 -0.273 19185 3456 1 11 . 1 1 12 12 ILE H H 12 8.275 8.275 7.997 0.278 19185 3457 1 11 . 1 1 13 13 ILE N N 13 118.949 118.949 119.657 -0.708 19185 3458 1 11 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.765 -0.217 19185 3459 1 11 . 1 1 13 13 ILE C C 13 177.352 177.352 178.314 -0.962 19185 3460 1 11 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.756 0.654 19185 3461 1 11 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.123 -0.351 19185 3462 1 11 . 1 1 13 13 ILE H H 13 8.313 8.313 7.820 0.493 19185 3463 1 11 . 1 1 14 14 GLY N N 14 106.566 106.566 109.311 -2.745 19185 3464 1 11 . 1 1 14 14 GLY C C 14 174.576 174.576 176.216 -1.640 19185 3465 1 11 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.325 0.184 19185 3466 1 11 . 1 1 14 14 GLY H H 14 8.656 8.656 7.800 0.856 19185 3467 1 11 . 1 1 15 15 ILE N N 15 121.111 121.111 122.868 -1.757 19185 3468 1 11 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.929 -0.303 19185 3469 1 11 . 1 1 15 15 ILE C C 15 177.226 177.226 177.665 -0.439 19185 3470 1 11 . 1 1 15 15 ILE CA C 15 65.302 65.302 63.071 2.231 19185 3471 1 11 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.873 -0.133 19185 3472 1 11 . 1 1 15 15 ILE H H 15 8.310 8.310 7.745 0.565 19185 3473 1 11 . 1 1 16 16 LEU N N 16 117.956 117.956 120.296 -2.340 19185 3474 1 11 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.905 0.061 19185 3475 1 11 . 1 1 16 16 LEU C C 16 178.665 178.665 179.052 -0.387 19185 3476 1 11 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.188 -0.479 19185 3477 1 11 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.018 0.482 19185 3478 1 11 . 1 1 16 16 LEU H H 16 8.250 8.250 7.929 0.321 19185 3479 1 11 . 1 1 17 17 ALA N N 17 119.727 119.727 121.314 -1.587 19185 3480 1 11 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.090 -0.174 19185 3481 1 11 . 1 1 17 17 ALA C C 17 178.160 178.160 179.328 -1.168 19185 3482 1 11 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.898 0.161 19185 3483 1 11 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.026 -0.173 19185 3484 1 11 . 1 1 17 17 ALA H H 17 8.640 8.640 8.324 0.316 19185 3485 1 11 . 1 1 18 18 ALA N N 18 117.791 117.791 121.375 -3.584 19185 3486 1 11 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.098 -0.058 19185 3487 1 11 . 1 1 18 18 ALA C C 18 178.841 178.841 178.838 0.003 19185 3488 1 11 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.818 -0.372 19185 3489 1 11 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.627 -0.458 19185 3490 1 11 . 1 1 18 18 ALA H H 18 7.983 7.983 7.951 0.032 19185 3491 1 11 . 1 1 19 19 ILE N N 19 112.844 112.844 114.326 -1.482 19185 3492 1 11 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.266 -0.278 19185 3493 1 11 . 1 1 19 19 ILE C C 19 176.696 176.696 177.582 -0.886 19185 3494 1 11 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.461 0.563 19185 3495 1 11 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.894 0.661 19185 3496 1 11 . 1 1 19 19 ILE H H 19 7.701 7.701 7.650 0.051 19185 3497 1 11 . 1 1 20 20 ALA N N 20 120.774 120.774 123.835 -3.061 19185 3498 1 11 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.082 0.189 19185 3499 1 11 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.147 -1.596 19185 3500 1 11 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.246 1.637 19185 3501 1 11 . 1 1 20 20 ALA H H 20 8.086 8.086 7.795 0.291 19185 3502 1 11 . 1 1 21 21 ILE N N 21 117.619 117.619 118.511 -0.892 19185 3503 1 11 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.893 0.331 19185 3504 1 11 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.092 -4.466 19185 3505 1 11 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.814 1.020 19185 3506 1 11 . 1 1 21 21 ILE H H 21 8.056 8.056 8.207 -0.151 19185 3507 1 11 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.267 0.117 19185 3508 1 11 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.036 -0.827 19185 3509 1 11 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.033 0.495 19185 3510 1 11 . 1 1 23 23 GLN N N 23 115.494 115.494 118.340 -2.846 19185 3511 1 11 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.126 0.074 19185 3512 1 11 . 1 1 23 23 GLN C C 23 176.898 176.898 178.158 -1.260 19185 3513 1 11 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.888 -1.462 19185 3514 1 11 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.691 -0.654 19185 3515 1 11 . 1 1 23 23 GLN H H 23 8.123 8.123 7.915 0.208 19185 3516 1 11 . 1 1 24 24 PHE N N 24 118.541 118.541 119.116 -0.575 19185 3517 1 11 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.660 0.012 19185 3518 1 11 . 1 1 24 24 PHE C C 24 176.494 176.494 177.015 -0.521 19185 3519 1 11 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.662 -1.345 19185 3520 1 11 . 1 1 24 24 PHE CB C 24 38.912 38.912 40.337 -1.425 19185 3521 1 11 . 1 1 24 24 PHE H H 24 8.068 8.068 8.219 -0.151 19185 3522 1 11 . 1 1 25 25 SER N N 25 115.228 115.228 116.720 -1.492 19185 3523 1 11 . 1 1 25 25 SER HA H 25 4.278 4.278 3.918 0.360 19185 3524 1 11 . 1 1 25 25 SER C C 25 175.308 175.308 176.662 -1.354 19185 3525 1 11 . 1 1 25 25 SER CA C 25 60.288 60.288 62.014 -1.726 19185 3526 1 11 . 1 1 25 25 SER CB C 25 63.278 63.278 63.147 0.131 19185 3527 1 11 . 1 1 25 25 SER H H 25 8.081 8.081 8.668 -0.587 19185 3528 1 11 . 1 1 26 26 ALA N N 26 123.792 123.792 122.537 1.255 19185 3529 1 11 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.084 0.112 19185 3530 1 11 . 1 1 26 26 ALA C C 26 178.387 178.387 179.247 -0.860 19185 3531 1 11 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.824 -1.175 19185 3532 1 11 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.134 0.334 19185 3533 1 11 . 1 1 26 26 ALA H H 26 8.151 8.151 8.039 0.112 19185 3534 1 11 . 1 1 27 27 TYR N N 27 116.956 116.956 120.359 -3.403 19185 3535 1 11 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.150 0.230 19185 3536 1 11 . 1 1 27 27 TYR C C 27 176.090 176.090 177.054 -0.964 19185 3537 1 11 . 1 1 27 27 TYR CA C 27 58.961 58.961 60.971 -2.010 19185 3538 1 11 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.491 -0.121 19185 3539 1 11 . 1 1 27 27 TYR H H 27 7.830 7.830 7.410 0.420 19185 3540 1 11 . 1 1 28 28 ARG N N 28 119.962 119.962 118.414 1.548 19185 3541 1 11 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.727 0.407 19185 3542 1 11 . 1 1 28 28 ARG C C 28 176.595 176.595 178.690 -2.095 19185 3543 1 11 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.819 -1.582 19185 3544 1 11 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.469 1.003 19185 3545 1 11 . 1 1 28 28 ARG H H 28 7.814 7.814 7.957 -0.143 19185 3546 1 11 . 1 1 29 29 VAL N N 29 118.483 118.483 121.318 -2.835 19185 3547 1 11 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.725 0.241 19185 3548 1 11 . 1 1 29 29 VAL C C 29 176.545 176.545 177.306 -0.761 19185 3549 1 11 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.994 -2.537 19185 3550 1 11 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.479 0.737 19185 3551 1 11 . 1 1 29 29 VAL H H 29 7.819 7.819 7.805 0.014 19185 3552 1 11 . 1 1 30 30 LYS N N 30 122.256 122.256 119.127 3.129 19185 3553 1 11 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.100 0.099 19185 3554 1 11 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.184 -2.170 19185 3555 1 11 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.843 0.794 19185 3556 1 11 . 1 1 30 30 LYS H H 30 7.962 7.962 7.907 0.055 19185 3557 1 11 . 1 1 31 31 ALA N N 31 122.625 122.625 122.533 0.092 19185 3558 1 11 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.938 0.270 19185 3559 1 11 . 1 1 31 31 ALA C C 31 177.680 177.680 178.232 -0.552 19185 3560 1 11 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.645 -1.796 19185 3561 1 11 . 1 1 31 31 ALA CB C 31 19.030 19.030 18.266 0.764 19185 3562 1 11 . 1 1 31 31 ALA H H 31 8.053 8.053 8.003 0.050 19185 3563 1 11 . 1 1 32 32 TYR N N 32 118.444 118.444 117.660 0.784 19185 3564 1 11 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.288 0.160 19185 3565 1 11 . 1 1 32 32 TYR C C 32 175.686 175.686 176.507 -0.821 19185 3566 1 11 . 1 1 32 32 TYR CA C 32 58.576 58.576 59.941 -1.365 19185 3567 1 11 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.675 -0.203 19185 3568 1 11 . 1 1 32 32 TYR H H 32 8.016 8.016 7.560 0.456 19185 3569 1 11 . 1 1 33 33 ASN N N 33 119.421 119.421 117.190 2.231 19185 3570 1 11 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.600 0.053 19185 3571 1 11 . 1 1 33 33 ASN C C 33 175.510 175.510 176.766 -1.256 19185 3572 1 11 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.616 -2.058 19185 3573 1 11 . 1 1 33 33 ASN CB C 33 38.791 38.791 39.359 -0.568 19185 3574 1 11 . 1 1 33 33 ASN H H 33 8.174 8.174 8.067 0.107 19185 3575 1 11 . 1 1 34 34 SER N N 34 116.151 116.151 116.424 -0.273 19185 3576 1 11 . 1 1 34 34 SER HA H 34 4.359 4.359 4.392 -0.033 19185 3577 1 11 . 1 1 34 34 SER C C 34 174.727 174.727 175.796 -1.069 19185 3578 1 11 . 1 1 34 34 SER CA C 34 59.127 59.127 60.591 -1.464 19185 3579 1 11 . 1 1 34 34 SER CB C 34 63.582 63.582 63.302 0.280 19185 3580 1 11 . 1 1 34 34 SER H H 34 8.143 8.143 8.095 0.048 19185 3581 1 11 . 1 1 35 35 ALA N N 35 125.119 125.119 123.943 1.176 19185 3582 1 11 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.455 -0.118 19185 3583 1 11 . 1 1 35 35 ALA C C 35 177.807 177.807 179.415 -1.608 19185 3584 1 11 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.312 -1.262 19185 3585 1 11 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.428 0.534 19185 3586 1 11 . 1 1 35 35 ALA H H 35 8.204 8.204 7.547 0.657 19185 3587 1 11 . 1 1 36 36 ALA N N 36 121.508 121.508 120.700 0.808 19185 3588 1 11 . 1 1 36 36 ALA HA H 36 4.290 4.290 4.097 0.193 19185 3589 1 11 . 1 1 36 36 ALA C C 36 178.059 178.059 179.304 -1.245 19185 3590 1 11 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.556 -1.606 19185 3591 1 11 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.983 1.048 19185 3592 1 11 . 1 1 36 36 ALA H H 36 8.134 8.134 7.826 0.308 19185 3593 1 11 . 1 1 37 37 SER N N 37 113.501 113.501 114.428 -0.927 19185 3594 1 11 . 1 1 37 37 SER HA H 37 4.365 4.365 4.070 0.295 19185 3595 1 11 . 1 1 37 37 SER C C 37 175.384 175.384 176.707 -1.323 19185 3596 1 11 . 1 1 37 37 SER CA C 37 59.127 59.127 61.657 -2.530 19185 3597 1 11 . 1 1 37 37 SER CB C 37 63.379 63.379 63.051 0.328 19185 3598 1 11 . 1 1 37 37 SER H H 37 8.071 8.071 7.773 0.298 19185 3599 1 11 . 1 1 38 38 SER N N 38 117.437 117.437 115.738 1.699 19185 3600 1 11 . 1 1 38 38 SER HA H 38 4.371 4.371 4.229 0.142 19185 3601 1 11 . 1 1 38 38 SER C C 38 174.828 174.828 176.713 -1.885 19185 3602 1 11 . 1 1 38 38 SER CA C 38 59.485 59.485 61.172 -1.687 19185 3603 1 11 . 1 1 38 38 SER CB C 38 63.379 63.379 63.260 0.119 19185 3604 1 11 . 1 1 38 38 SER H H 38 8.170 8.170 8.069 0.101 19185 3605 1 11 . 1 1 39 39 ASP N N 39 121.556 121.556 123.505 -1.949 19185 3606 1 11 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.394 0.202 19185 3607 1 11 . 1 1 39 39 ASP C C 39 177.226 177.226 178.122 -0.896 19185 3608 1 11 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.273 -2.082 19185 3609 1 11 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.974 -0.579 19185 3610 1 11 . 1 1 39 39 ASP H H 39 8.216 8.216 7.754 0.462 19185 3611 1 11 . 1 1 40 40 LEU N N 40 121.423 121.423 119.447 1.976 19185 3612 1 11 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.078 0.104 19185 3613 1 11 . 1 1 40 40 LEU C C 40 178.109 178.109 179.154 -1.045 19185 3614 1 11 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.076 -0.374 19185 3615 1 11 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.829 -0.321 19185 3616 1 11 . 1 1 40 40 LEU H H 40 8.265 8.265 7.748 0.517 19185 3617 1 11 . 1 1 41 41 ARG N N 41 119.425 119.425 119.747 -0.322 19185 3618 1 11 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.043 0.017 19185 3619 1 11 . 1 1 41 41 ARG C C 41 178.160 178.160 178.319 -0.159 19185 3620 1 11 . 1 1 41 41 ARG CA C 41 58.926 58.926 58.565 0.361 19185 3621 1 11 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.544 0.219 19185 3622 1 11 . 1 1 41 41 ARG H H 41 8.109 8.109 8.193 -0.084 19185 3623 1 11 . 1 1 42 42 ASN N N 42 117.770 117.770 118.665 -0.895 19185 3624 1 11 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.538 0.085 19185 3625 1 11 . 1 1 42 42 ASN C C 42 177.049 177.049 177.893 -0.844 19185 3626 1 11 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.039 -1.368 19185 3627 1 11 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.234 -0.269 19185 3628 1 11 . 1 1 42 42 ASN H H 42 8.239 8.239 7.890 0.349 19185 3629 1 11 . 1 1 43 43 LEU N N 43 122.159 122.159 119.822 2.337 19185 3630 1 11 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.070 0.088 19185 3631 1 11 . 1 1 43 43 LEU C C 43 177.504 177.504 178.710 -1.206 19185 3632 1 11 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.480 0.027 19185 3633 1 11 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.730 0.009 19185 3634 1 11 . 1 1 43 43 LEU H H 43 8.048 8.048 8.023 0.025 19185 3635 1 11 . 1 1 44 44 LYS N N 44 119.015 119.015 119.673 -0.658 19185 3636 1 11 . 1 1 44 44 LYS HA H 44 3.896 3.896 3.984 -0.088 19185 3637 1 11 . 1 1 44 44 LYS C C 44 178.059 178.059 178.647 -0.588 19185 3638 1 11 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.726 0.413 19185 3639 1 11 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.283 0.113 19185 3640 1 11 . 1 1 44 44 LYS H H 44 8.212 8.212 7.763 0.449 19185 3641 1 11 . 1 1 45 45 THR N N 45 113.770 113.770 114.990 -1.220 19185 3642 1 11 . 1 1 45 45 THR HA H 45 4.032 4.032 4.094 -0.062 19185 3643 1 11 . 1 1 45 45 THR C C 45 176.469 176.469 176.131 0.338 19185 3644 1 11 . 1 1 45 45 THR CA C 45 65.303 65.303 65.756 -0.453 19185 3645 1 11 . 1 1 45 45 THR CB C 45 68.645 68.645 68.666 -0.021 19185 3646 1 11 . 1 1 45 45 THR H H 45 8.080 8.080 8.027 0.053 19185 3647 1 11 . 1 1 46 46 ALA N N 46 124.926 124.926 123.752 1.174 19185 3648 1 11 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.190 -0.017 19185 3649 1 11 . 1 1 46 46 ALA C C 46 179.977 179.977 179.464 0.513 19185 3650 1 11 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.027 -0.147 19185 3651 1 11 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.031 0.197 19185 3652 1 11 . 1 1 46 46 ALA H H 46 8.048 8.048 7.564 0.484 19185 3653 1 11 . 1 1 47 47 LEU N N 47 118.030 118.030 119.524 -1.494 19185 3654 1 11 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.151 -0.063 19185 3655 1 11 . 1 1 47 47 LEU C C 47 177.832 177.832 178.917 -1.085 19185 3656 1 11 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.828 -0.440 19185 3657 1 11 . 1 1 47 47 LEU CB C 47 41.812 41.812 42.087 -0.275 19185 3658 1 11 . 1 1 47 47 LEU H H 47 8.257 8.257 7.565 0.692 19185 3659 1 11 . 1 1 48 48 GLU N N 48 117.324 117.324 119.004 -1.680 19185 3660 1 11 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.086 -0.033 19185 3661 1 11 . 1 1 48 48 GLU C C 48 178.690 178.690 179.482 -0.792 19185 3662 1 11 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.381 -0.558 19185 3663 1 11 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.904 -0.255 19185 3664 1 11 . 1 1 48 48 GLU H H 48 8.282 8.282 8.618 -0.336 19185 3665 1 11 . 1 1 49 49 SER N N 49 114.057 114.057 115.518 -1.461 19185 3666 1 11 . 1 1 49 49 SER HA H 49 4.330 4.330 4.225 0.105 19185 3667 1 11 . 1 1 49 49 SER C C 49 175.283 175.283 175.755 -0.472 19185 3668 1 11 . 1 1 49 49 SER CA C 49 60.589 60.589 61.403 -0.813 19185 3669 1 11 . 1 1 49 49 SER CB C 49 63.076 63.076 62.960 0.116 19185 3670 1 11 . 1 1 49 49 SER H H 49 8.059 8.059 7.896 0.163 19185 3671 1 11 . 1 1 50 50 ALA N N 50 123.125 123.125 122.829 0.296 19185 3672 1 11 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.112 0.038 19185 3673 1 11 . 1 1 50 50 ALA C C 50 178.034 178.034 178.690 -0.656 19185 3674 1 11 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.479 -0.719 19185 3675 1 11 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.889 -0.365 19185 3676 1 11 . 1 1 50 50 ALA H H 50 7.776 7.776 7.473 0.303 19185 3677 1 11 . 1 1 51 51 PHE N N 51 114.586 114.586 118.247 -3.661 19185 3678 1 11 . 1 1 51 51 PHE HA H 51 4.590 4.590 5.104 -0.514 19185 3679 1 11 . 1 1 51 51 PHE C C 51 175.560 175.560 178.028 -2.468 19185 3680 1 11 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.349 -1.408 19185 3681 1 11 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.440 -0.134 19185 3682 1 11 . 1 1 51 51 PHE H H 51 7.782 7.782 8.247 -0.465 19185 3683 1 11 . 1 1 52 52 ALA N N 52 122.550 122.550 120.816 1.734 19185 3684 1 11 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.241 0.092 19185 3685 1 11 . 1 1 52 52 ALA C C 52 177.529 177.529 177.701 -0.172 19185 3686 1 11 . 1 1 52 52 ALA CA C 52 52.950 52.950 53.930 -0.980 19185 3687 1 11 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.739 0.595 19185 3688 1 11 . 1 1 52 52 ALA H H 52 7.731 7.731 7.991 -0.260 19185 3689 1 11 . 1 1 53 53 ASP N N 53 118.118 118.118 117.406 0.712 19185 3690 1 11 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.740 -0.076 19185 3691 1 11 . 1 1 53 53 ASP C C 53 175.686 175.686 175.755 -0.069 19185 3692 1 11 . 1 1 53 53 ASP CA C 53 53.861 53.861 54.597 -0.737 19185 3693 1 11 . 1 1 53 53 ASP CB C 53 40.118 40.118 43.565 -3.447 19185 3694 1 11 . 1 1 53 53 ASP H H 53 8.230 8.230 7.848 0.382 19185 3695 1 11 . 1 1 54 54 ASP N N 54 119.502 119.502 120.617 -1.115 19185 3696 1 11 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.875 -0.211 19185 3697 1 11 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.026 -0.165 19185 3698 1 11 . 1 1 54 54 ASP CB C 54 39.888 39.888 42.434 -2.546 19185 3699 1 11 . 1 1 54 54 ASP H H 54 8.217 8.217 8.116 0.101 19185 3700 1 11 . 1 1 55 55 GLN N N 55 119.498 119.498 123.273 -3.775 19185 3701 1 11 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.580 -0.257 19185 3702 1 11 . 1 1 55 55 GLN C C 55 175.712 175.712 176.215 -0.503 19185 3703 1 11 . 1 1 55 55 GLN CA C 55 55.812 55.812 56.773 -0.961 19185 3704 1 11 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.690 0.668 19185 3705 1 11 . 1 1 55 55 GLN H H 55 8.160 8.160 8.801 -0.641 19185 3706 1 11 . 1 1 56 56 THR N N 56 114.937 114.937 114.407 0.530 19185 3707 1 11 . 1 1 56 56 THR HA H 56 4.217 4.217 4.050 0.167 19185 3708 1 11 . 1 1 56 56 THR C C 56 173.642 173.642 174.460 -0.818 19185 3709 1 11 . 1 1 56 56 THR CA C 56 61.962 61.962 65.781 -3.819 19185 3710 1 11 . 1 1 56 56 THR CB C 56 69.556 69.556 68.725 0.831 19185 3711 1 11 . 1 1 56 56 THR H H 56 7.999 7.999 8.149 -0.150 19185 3712 1 11 . 1 1 57 57 TYR N N 57 122.914 122.914 122.342 0.572 19185 3713 1 11 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.864 -0.027 19185 3714 1 11 . 1 1 57 57 TYR CA C 57 55.439 55.439 53.481 1.958 19185 3715 1 11 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.354 -1.086 19185 3716 1 11 . 1 1 57 57 TYR H H 57 8.113 8.113 7.633 0.480 19185 3717 1 11 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.908 -0.084 19185 3718 1 11 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.382 1.594 19185 3719 1 11 . 1 1 58 58 PRO CB C 58 30.788 30.788 32.017 -1.229 19185 3720 1 11 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.598 -0.116 19185 3721 1 11 . 1 1 59 59 PRO C C 59 176.873 176.873 176.093 0.780 19185 3722 1 11 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.460 0.451 19185 3723 1 11 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.178 -0.187 19185 3724 1 11 . 1 1 60 60 GLU N N 60 120.610 120.610 123.107 -2.497 19185 3725 1 11 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.392 -0.019 19185 3726 1 11 . 1 1 60 60 GLU C C 60 175.459 175.459 176.158 -0.699 19185 3727 1 11 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.210 -0.222 19185 3728 1 11 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.761 -0.099 19185 3729 1 11 . 1 1 60 60 GLU H H 60 8.410 8.410 8.597 -0.187 19185 3730 1 12 . 1 1 2 2 THR N N 2 112.540 112.540 114.065 -1.525 19185 3731 1 12 . 1 1 2 2 THR HA H 2 4.713 4.713 4.792 -0.079 19185 3732 1 12 . 1 1 2 2 THR C C 2 174.853 174.853 175.347 -0.494 19185 3733 1 12 . 1 1 2 2 THR CA C 2 59.734 59.734 61.027 -1.293 19185 3734 1 12 . 1 1 2 2 THR CB C 2 71.378 71.378 71.838 -0.460 19185 3735 1 12 . 1 1 2 2 THR H H 2 8.189 8.189 7.930 0.259 19185 3736 1 12 . 1 1 3 3 LEU N N 3 121.600 121.600 122.445 -0.845 19185 3737 1 12 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.172 -0.071 19185 3738 1 12 . 1 1 3 3 LEU C C 3 178.488 178.488 178.191 0.297 19185 3739 1 12 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.632 1.521 19185 3740 1 12 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.927 -0.484 19185 3741 1 12 . 1 1 3 3 LEU H H 3 8.997 8.997 8.938 0.059 19185 3742 1 12 . 1 1 4 4 ILE N N 4 116.394 116.394 119.309 -2.915 19185 3743 1 12 . 1 1 4 4 ILE HA H 4 3.798 3.798 4.038 -0.240 19185 3744 1 12 . 1 1 4 4 ILE C C 4 176.847 176.847 178.318 -1.471 19185 3745 1 12 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.263 0.521 19185 3746 1 12 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.701 0.376 19185 3747 1 12 . 1 1 4 4 ILE H H 4 8.173 8.173 7.610 0.563 19185 3748 1 12 . 1 1 5 5 GLU N N 5 118.842 118.842 121.476 -2.634 19185 3749 1 12 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.032 -0.259 19185 3750 1 12 . 1 1 5 5 GLU C C 5 177.554 177.554 178.868 -1.314 19185 3751 1 12 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.500 0.098 19185 3752 1 12 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.364 -0.512 19185 3753 1 12 . 1 1 5 5 GLU H H 5 7.394 7.394 7.873 -0.479 19185 3754 1 12 . 1 1 6 6 LEU N N 6 117.867 117.867 117.719 0.148 19185 3755 1 12 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.177 -0.261 19185 3756 1 12 . 1 1 6 6 LEU C C 6 177.832 177.832 178.666 -0.834 19185 3757 1 12 . 1 1 6 6 LEU CA C 6 58.013 58.013 58.260 -0.247 19185 3758 1 12 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.119 0.491 19185 3759 1 12 . 1 1 6 6 LEU H H 6 7.885 7.885 7.549 0.336 19185 3760 1 12 . 1 1 7 7 LEU N N 7 117.636 117.636 120.860 -3.224 19185 3761 1 12 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.005 -0.115 19185 3762 1 12 . 1 1 7 7 LEU C C 7 178.135 178.135 178.729 -0.594 19185 3763 1 12 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.878 0.034 19185 3764 1 12 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.758 -0.291 19185 3765 1 12 . 1 1 7 7 LEU H H 7 8.328 8.328 7.411 0.917 19185 3766 1 12 . 1 1 8 8 ILE N N 8 117.838 117.838 118.901 -1.063 19185 3767 1 12 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.601 -0.032 19185 3768 1 12 . 1 1 8 8 ILE C C 8 177.150 177.150 177.939 -0.789 19185 3769 1 12 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.686 -0.484 19185 3770 1 12 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.807 -0.592 19185 3771 1 12 . 1 1 8 8 ILE H H 8 8.054 8.054 7.683 0.371 19185 3772 1 12 . 1 1 9 9 VAL N N 9 118.866 118.866 120.745 -1.879 19185 3773 1 12 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.506 -0.024 19185 3774 1 12 . 1 1 9 9 VAL C C 9 177.352 177.352 177.978 -0.626 19185 3775 1 12 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.250 0.382 19185 3776 1 12 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.527 -0.245 19185 3777 1 12 . 1 1 9 9 VAL H H 9 8.026 8.026 8.184 -0.158 19185 3778 1 12 . 1 1 10 10 VAL N N 10 118.095 118.095 118.858 -0.763 19185 3779 1 12 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.597 -0.154 19185 3780 1 12 . 1 1 10 10 VAL C C 10 176.948 176.948 177.879 -0.931 19185 3781 1 12 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.228 0.906 19185 3782 1 12 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.344 -0.366 19185 3783 1 12 . 1 1 10 10 VAL H H 10 8.399 8.399 8.054 0.345 19185 3784 1 12 . 1 1 11 11 ALA N N 11 121.128 121.128 123.113 -1.985 19185 3785 1 12 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.064 -0.143 19185 3786 1 12 . 1 1 11 11 ALA C C 11 178.816 178.816 179.394 -0.578 19185 3787 1 12 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.339 0.001 19185 3788 1 12 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.267 -0.599 19185 3789 1 12 . 1 1 11 11 ALA H H 11 8.327 8.327 7.704 0.623 19185 3790 1 12 . 1 1 12 12 ILE N N 12 116.336 116.336 115.619 0.717 19185 3791 1 12 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.690 -0.128 19185 3792 1 12 . 1 1 12 12 ILE C C 12 177.403 177.403 178.037 -0.634 19185 3793 1 12 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.824 0.479 19185 3794 1 12 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.767 -0.410 19185 3795 1 12 . 1 1 12 12 ILE H H 12 8.275 8.275 8.011 0.264 19185 3796 1 12 . 1 1 13 13 ILE N N 13 118.949 118.949 120.424 -1.475 19185 3797 1 12 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.744 -0.196 19185 3798 1 12 . 1 1 13 13 ILE C C 13 177.352 177.352 178.219 -0.867 19185 3799 1 12 . 1 1 13 13 ILE CA C 13 65.410 65.410 65.066 0.344 19185 3800 1 12 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.197 -0.425 19185 3801 1 12 . 1 1 13 13 ILE H H 13 8.313 8.313 8.227 0.086 19185 3802 1 12 . 1 1 14 14 GLY N N 14 106.566 106.566 108.703 -2.137 19185 3803 1 12 . 1 1 14 14 GLY C C 14 174.576 174.576 176.007 -1.431 19185 3804 1 12 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.255 0.254 19185 3805 1 12 . 1 1 14 14 GLY H H 14 8.656 8.656 7.822 0.834 19185 3806 1 12 . 1 1 15 15 ILE N N 15 121.111 121.111 123.028 -1.917 19185 3807 1 12 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.723 -0.097 19185 3808 1 12 . 1 1 15 15 ILE C C 15 177.226 177.226 177.650 -0.424 19185 3809 1 12 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.901 0.401 19185 3810 1 12 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.994 -0.254 19185 3811 1 12 . 1 1 15 15 ILE H H 15 8.310 8.310 7.603 0.707 19185 3812 1 12 . 1 1 16 16 LEU N N 16 117.956 117.956 119.718 -1.762 19185 3813 1 12 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.885 0.081 19185 3814 1 12 . 1 1 16 16 LEU C C 16 178.665 178.665 179.216 -0.551 19185 3815 1 12 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.044 -0.335 19185 3816 1 12 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.135 0.365 19185 3817 1 12 . 1 1 16 16 LEU H H 16 8.250 8.250 7.959 0.291 19185 3818 1 12 . 1 1 17 17 ALA N N 17 119.727 119.727 120.972 -1.245 19185 3819 1 12 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.119 -0.203 19185 3820 1 12 . 1 1 17 17 ALA C C 17 178.160 178.160 179.236 -1.076 19185 3821 1 12 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.938 0.121 19185 3822 1 12 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.123 -0.270 19185 3823 1 12 . 1 1 17 17 ALA H H 17 8.640 8.640 8.116 0.524 19185 3824 1 12 . 1 1 18 18 ALA N N 18 117.791 117.791 121.236 -3.445 19185 3825 1 12 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.100 -0.060 19185 3826 1 12 . 1 1 18 18 ALA C C 18 178.841 178.841 179.051 -0.210 19185 3827 1 12 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.752 -0.306 19185 3828 1 12 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.627 -0.458 19185 3829 1 12 . 1 1 18 18 ALA H H 18 7.983 7.983 7.830 0.153 19185 3830 1 12 . 1 1 19 19 ILE N N 19 112.844 112.844 114.855 -2.011 19185 3831 1 12 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.144 -0.156 19185 3832 1 12 . 1 1 19 19 ILE C C 19 176.696 176.696 177.514 -0.818 19185 3833 1 12 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.622 0.402 19185 3834 1 12 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.643 0.912 19185 3835 1 12 . 1 1 19 19 ILE H H 19 7.701 7.701 7.765 -0.064 19185 3836 1 12 . 1 1 20 20 ALA N N 20 120.774 120.774 123.833 -3.059 19185 3837 1 12 . 1 1 20 20 ALA HA H 20 4.271 4.271 3.920 0.351 19185 3838 1 12 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.182 -1.631 19185 3839 1 12 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.372 1.511 19185 3840 1 12 . 1 1 20 20 ALA H H 20 8.086 8.086 7.582 0.504 19185 3841 1 12 . 1 1 21 21 ILE N N 21 117.619 117.619 118.364 -0.745 19185 3842 1 12 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.845 0.379 19185 3843 1 12 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.134 -4.508 19185 3844 1 12 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.704 1.130 19185 3845 1 12 . 1 1 21 21 ILE H H 21 8.056 8.056 8.322 -0.266 19185 3846 1 12 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.229 0.155 19185 3847 1 12 . 1 1 22 22 PRO CA C 22 65.209 65.209 65.967 -0.758 19185 3848 1 12 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.974 0.554 19185 3849 1 12 . 1 1 23 23 GLN N N 23 115.494 115.494 118.725 -3.231 19185 3850 1 12 . 1 1 23 23 GLN HA H 23 4.200 4.200 3.964 0.236 19185 3851 1 12 . 1 1 23 23 GLN C C 23 176.898 176.898 178.567 -1.669 19185 3852 1 12 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.850 -1.424 19185 3853 1 12 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.412 -0.375 19185 3854 1 12 . 1 1 23 23 GLN H H 23 8.123 8.123 7.735 0.388 19185 3855 1 12 . 1 1 24 24 PHE N N 24 118.541 118.541 117.477 1.064 19185 3856 1 12 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.715 -0.043 19185 3857 1 12 . 1 1 24 24 PHE C C 24 176.494 176.494 177.753 -1.259 19185 3858 1 12 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.142 -0.825 19185 3859 1 12 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.405 -0.493 19185 3860 1 12 . 1 1 24 24 PHE H H 24 8.068 8.068 8.254 -0.186 19185 3861 1 12 . 1 1 25 25 SER N N 25 115.228 115.228 117.089 -1.861 19185 3862 1 12 . 1 1 25 25 SER HA H 25 4.278 4.278 4.156 0.122 19185 3863 1 12 . 1 1 25 25 SER C C 25 175.308 175.308 176.598 -1.290 19185 3864 1 12 . 1 1 25 25 SER CA C 25 60.288 60.288 61.979 -1.691 19185 3865 1 12 . 1 1 25 25 SER CB C 25 63.278 63.278 63.169 0.109 19185 3866 1 12 . 1 1 25 25 SER H H 25 8.081 8.081 8.606 -0.525 19185 3867 1 12 . 1 1 26 26 ALA N N 26 123.792 123.792 122.747 1.045 19185 3868 1 12 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.138 0.058 19185 3869 1 12 . 1 1 26 26 ALA C C 26 178.387 178.387 179.344 -0.957 19185 3870 1 12 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.749 -1.100 19185 3871 1 12 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.101 0.367 19185 3872 1 12 . 1 1 26 26 ALA H H 26 8.151 8.151 7.953 0.198 19185 3873 1 12 . 1 1 27 27 TYR N N 27 116.956 116.956 120.140 -3.184 19185 3874 1 12 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.171 0.209 19185 3875 1 12 . 1 1 27 27 TYR C C 27 176.090 176.090 177.775 -1.685 19185 3876 1 12 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.617 -2.655 19185 3877 1 12 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.639 -0.269 19185 3878 1 12 . 1 1 27 27 TYR H H 27 7.830 7.830 7.586 0.244 19185 3879 1 12 . 1 1 28 28 ARG N N 28 119.962 119.962 118.195 1.767 19185 3880 1 12 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.936 0.198 19185 3881 1 12 . 1 1 28 28 ARG C C 28 176.595 176.595 178.936 -2.341 19185 3882 1 12 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.235 -1.998 19185 3883 1 12 . 1 1 28 28 ARG CB C 28 30.472 30.472 30.206 0.266 19185 3884 1 12 . 1 1 28 28 ARG H H 28 7.814 7.814 7.984 -0.170 19185 3885 1 12 . 1 1 29 29 VAL N N 29 118.483 118.483 119.876 -1.393 19185 3886 1 12 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.736 0.230 19185 3887 1 12 . 1 1 29 29 VAL C C 29 176.545 176.545 177.257 -0.712 19185 3888 1 12 . 1 1 29 29 VAL CA C 29 63.457 63.457 67.245 -3.788 19185 3889 1 12 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.891 0.325 19185 3890 1 12 . 1 1 29 29 VAL H H 29 7.819 7.819 8.237 -0.418 19185 3891 1 12 . 1 1 30 30 LYS N N 30 122.256 122.256 119.613 2.643 19185 3892 1 12 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.214 -0.015 19185 3893 1 12 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.013 -1.999 19185 3894 1 12 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.989 0.648 19185 3895 1 12 . 1 1 30 30 LYS H H 30 7.962 7.962 8.005 -0.043 19185 3896 1 12 . 1 1 31 31 ALA N N 31 122.625 122.625 122.641 -0.016 19185 3897 1 12 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.088 0.120 19185 3898 1 12 . 1 1 31 31 ALA C C 31 177.680 177.680 179.040 -1.360 19185 3899 1 12 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.210 -1.361 19185 3900 1 12 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.732 1.298 19185 3901 1 12 . 1 1 31 31 ALA H H 31 8.053 8.053 7.985 0.068 19185 3902 1 12 . 1 1 32 32 TYR N N 32 118.444 118.444 120.775 -2.331 19185 3903 1 12 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.027 0.421 19185 3904 1 12 . 1 1 32 32 TYR C C 32 175.686 175.686 177.423 -1.737 19185 3905 1 12 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.687 -3.111 19185 3906 1 12 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.404 0.067 19185 3907 1 12 . 1 1 32 32 TYR H H 32 8.016 8.016 7.932 0.084 19185 3908 1 12 . 1 1 33 33 ASN N N 33 119.421 119.421 116.900 2.521 19185 3909 1 12 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.159 0.494 19185 3910 1 12 . 1 1 33 33 ASN C C 33 175.510 175.510 177.825 -2.315 19185 3911 1 12 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.057 -2.499 19185 3912 1 12 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.757 1.034 19185 3913 1 12 . 1 1 33 33 ASN H H 33 8.174 8.174 8.087 0.087 19185 3914 1 12 . 1 1 34 34 SER N N 34 116.151 116.151 116.039 0.112 19185 3915 1 12 . 1 1 34 34 SER HA H 34 4.359 4.359 4.143 0.216 19185 3916 1 12 . 1 1 34 34 SER C C 34 174.727 174.727 175.999 -1.272 19185 3917 1 12 . 1 1 34 34 SER CA C 34 59.127 59.127 61.644 -2.517 19185 3918 1 12 . 1 1 34 34 SER CB C 34 63.582 63.582 63.055 0.527 19185 3919 1 12 . 1 1 34 34 SER H H 34 8.143 8.143 7.956 0.187 19185 3920 1 12 . 1 1 35 35 ALA N N 35 125.119 125.119 122.554 2.565 19185 3921 1 12 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.086 0.251 19185 3922 1 12 . 1 1 35 35 ALA C C 35 177.807 177.807 179.522 -1.715 19185 3923 1 12 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.586 -1.535 19185 3924 1 12 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.201 0.761 19185 3925 1 12 . 1 1 35 35 ALA H H 35 8.204 8.204 7.843 0.361 19185 3926 1 12 . 1 1 36 36 ALA N N 36 121.508 121.508 121.388 0.120 19185 3927 1 12 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.947 0.343 19185 3928 1 12 . 1 1 36 36 ALA C C 36 178.059 178.059 179.473 -1.414 19185 3929 1 12 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.910 -1.960 19185 3930 1 12 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.090 0.940 19185 3931 1 12 . 1 1 36 36 ALA H H 36 8.134 8.134 8.131 0.003 19185 3932 1 12 . 1 1 37 37 SER N N 37 113.501 113.501 114.082 -0.581 19185 3933 1 12 . 1 1 37 37 SER HA H 37 4.365 4.365 4.053 0.312 19185 3934 1 12 . 1 1 37 37 SER C C 37 175.384 175.384 176.763 -1.379 19185 3935 1 12 . 1 1 37 37 SER CA C 37 59.127 59.127 61.551 -2.424 19185 3936 1 12 . 1 1 37 37 SER CB C 37 63.379 63.379 63.000 0.379 19185 3937 1 12 . 1 1 37 37 SER H H 37 8.071 8.071 7.844 0.227 19185 3938 1 12 . 1 1 38 38 SER N N 38 117.437 117.437 117.095 0.342 19185 3939 1 12 . 1 1 38 38 SER HA H 38 4.371 4.371 4.191 0.180 19185 3940 1 12 . 1 1 38 38 SER C C 38 174.828 174.828 176.144 -1.316 19185 3941 1 12 . 1 1 38 38 SER CA C 38 59.485 59.485 61.280 -1.795 19185 3942 1 12 . 1 1 38 38 SER CB C 38 63.379 63.379 63.145 0.234 19185 3943 1 12 . 1 1 38 38 SER H H 38 8.170 8.170 8.080 0.090 19185 3944 1 12 . 1 1 39 39 ASP N N 39 121.556 121.556 123.271 -1.715 19185 3945 1 12 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.342 0.254 19185 3946 1 12 . 1 1 39 39 ASP C C 39 177.226 177.226 178.287 -1.061 19185 3947 1 12 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.422 -2.231 19185 3948 1 12 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.867 -0.472 19185 3949 1 12 . 1 1 39 39 ASP H H 39 8.216 8.216 7.692 0.524 19185 3950 1 12 . 1 1 40 40 LEU N N 40 121.423 121.423 119.142 2.281 19185 3951 1 12 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.000 0.182 19185 3952 1 12 . 1 1 40 40 LEU C C 40 178.109 178.109 179.103 -0.994 19185 3953 1 12 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.582 -0.880 19185 3954 1 12 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.740 -0.232 19185 3955 1 12 . 1 1 40 40 LEU H H 40 8.265 8.265 7.980 0.285 19185 3956 1 12 . 1 1 41 41 ARG N N 41 119.425 119.425 119.457 -0.032 19185 3957 1 12 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.879 0.181 19185 3958 1 12 . 1 1 41 41 ARG C C 41 178.160 178.160 177.945 0.215 19185 3959 1 12 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.975 -1.049 19185 3960 1 12 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.118 -0.355 19185 3961 1 12 . 1 1 41 41 ARG H H 41 8.109 8.109 8.089 0.020 19185 3962 1 12 . 1 1 42 42 ASN N N 42 117.770 117.770 118.101 -0.331 19185 3963 1 12 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.459 0.164 19185 3964 1 12 . 1 1 42 42 ASN C C 42 177.049 177.049 178.171 -1.122 19185 3965 1 12 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.146 -1.475 19185 3966 1 12 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.639 -0.674 19185 3967 1 12 . 1 1 42 42 ASN H H 42 8.239 8.239 8.092 0.147 19185 3968 1 12 . 1 1 43 43 LEU N N 43 122.159 122.159 119.962 2.197 19185 3969 1 12 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.051 0.107 19185 3970 1 12 . 1 1 43 43 LEU C C 43 177.504 177.504 178.448 -0.944 19185 3971 1 12 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.602 -0.095 19185 3972 1 12 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.957 -0.218 19185 3973 1 12 . 1 1 43 43 LEU H H 43 8.048 8.048 7.902 0.146 19185 3974 1 12 . 1 1 44 44 LYS N N 44 119.015 119.015 119.533 -0.518 19185 3975 1 12 . 1 1 44 44 LYS HA H 44 3.896 3.896 3.973 -0.077 19185 3976 1 12 . 1 1 44 44 LYS C C 44 178.059 178.059 179.007 -0.948 19185 3977 1 12 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.694 0.445 19185 3978 1 12 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.381 0.015 19185 3979 1 12 . 1 1 44 44 LYS H H 44 8.212 8.212 7.562 0.650 19185 3980 1 12 . 1 1 45 45 THR N N 45 113.770 113.770 114.075 -0.305 19185 3981 1 12 . 1 1 45 45 THR HA H 45 4.032 4.032 4.324 -0.292 19185 3982 1 12 . 1 1 45 45 THR C C 45 176.469 176.469 175.926 0.543 19185 3983 1 12 . 1 1 45 45 THR CA C 45 65.303 65.303 65.785 -0.482 19185 3984 1 12 . 1 1 45 45 THR CB C 45 68.645 68.645 68.672 -0.027 19185 3985 1 12 . 1 1 45 45 THR H H 45 8.080 8.080 8.141 -0.061 19185 3986 1 12 . 1 1 46 46 ALA N N 46 124.926 124.926 123.484 1.442 19185 3987 1 12 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.194 -0.021 19185 3988 1 12 . 1 1 46 46 ALA C C 46 179.977 179.977 179.572 0.405 19185 3989 1 12 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.045 -0.165 19185 3990 1 12 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.192 0.036 19185 3991 1 12 . 1 1 46 46 ALA H H 46 8.048 8.048 7.576 0.472 19185 3992 1 12 . 1 1 47 47 LEU N N 47 118.030 118.030 117.481 0.549 19185 3993 1 12 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.185 -0.097 19185 3994 1 12 . 1 1 47 47 LEU C C 47 177.832 177.832 178.685 -0.853 19185 3995 1 12 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.981 -0.593 19185 3996 1 12 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.527 0.285 19185 3997 1 12 . 1 1 47 47 LEU H H 47 8.257 8.257 7.764 0.493 19185 3998 1 12 . 1 1 48 48 GLU N N 48 117.324 117.324 120.077 -2.753 19185 3999 1 12 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.149 -0.096 19185 4000 1 12 . 1 1 48 48 GLU C C 48 178.690 178.690 179.123 -0.433 19185 4001 1 12 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.188 -0.365 19185 4002 1 12 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.932 -0.283 19185 4003 1 12 . 1 1 48 48 GLU H H 48 8.282 8.282 8.630 -0.348 19185 4004 1 12 . 1 1 49 49 SER N N 49 114.057 114.057 117.522 -3.465 19185 4005 1 12 . 1 1 49 49 SER HA H 49 4.330 4.330 4.234 0.096 19185 4006 1 12 . 1 1 49 49 SER C C 49 175.283 175.283 176.533 -1.250 19185 4007 1 12 . 1 1 49 49 SER CA C 49 60.589 60.589 61.665 -1.076 19185 4008 1 12 . 1 1 49 49 SER CB C 49 63.076 63.076 62.980 0.096 19185 4009 1 12 . 1 1 49 49 SER H H 49 8.059 8.059 7.954 0.105 19185 4010 1 12 . 1 1 50 50 ALA N N 50 123.125 123.125 124.433 -1.308 19185 4011 1 12 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.121 0.029 19185 4012 1 12 . 1 1 50 50 ALA C C 50 178.034 178.034 178.875 -0.841 19185 4013 1 12 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.725 -0.965 19185 4014 1 12 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.549 -0.025 19185 4015 1 12 . 1 1 50 50 ALA H H 50 7.776 7.776 7.736 0.040 19185 4016 1 12 . 1 1 51 51 PHE N N 51 114.586 114.586 118.845 -4.259 19185 4017 1 12 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.585 0.005 19185 4018 1 12 . 1 1 51 51 PHE C C 51 175.560 175.560 177.231 -1.671 19185 4019 1 12 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.984 -2.043 19185 4020 1 12 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.535 -0.229 19185 4021 1 12 . 1 1 51 51 PHE H H 51 7.782 7.782 7.898 -0.116 19185 4022 1 12 . 1 1 52 52 ALA N N 52 122.550 122.550 121.501 1.049 19185 4023 1 12 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.051 0.282 19185 4024 1 12 . 1 1 52 52 ALA C C 52 177.529 177.529 178.335 -0.806 19185 4025 1 12 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.356 -1.406 19185 4026 1 12 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.471 0.863 19185 4027 1 12 . 1 1 52 52 ALA H H 52 7.731 7.731 7.826 -0.095 19185 4028 1 12 . 1 1 53 53 ASP N N 53 118.118 118.118 117.312 0.806 19185 4029 1 12 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.648 0.016 19185 4030 1 12 . 1 1 53 53 ASP C C 53 175.686 175.686 175.482 0.204 19185 4031 1 12 . 1 1 53 53 ASP CA C 53 53.861 53.861 53.358 0.504 19185 4032 1 12 . 1 1 53 53 ASP CB C 53 40.118 40.118 42.324 -2.206 19185 4033 1 12 . 1 1 53 53 ASP H H 53 8.230 8.230 7.726 0.504 19185 4034 1 12 . 1 1 54 54 ASP N N 54 119.502 119.502 116.849 2.653 19185 4035 1 12 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.257 0.407 19185 4036 1 12 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.631 -0.770 19185 4037 1 12 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.269 -1.381 19185 4038 1 12 . 1 1 54 54 ASP H H 54 8.217 8.217 7.511 0.706 19185 4039 1 12 . 1 1 55 55 GLN N N 55 119.498 119.498 123.843 -4.345 19185 4040 1 12 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.244 0.079 19185 4041 1 12 . 1 1 55 55 GLN C C 55 175.712 175.712 177.098 -1.386 19185 4042 1 12 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.745 -1.933 19185 4043 1 12 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.783 0.575 19185 4044 1 12 . 1 1 55 55 GLN H H 55 8.160 8.160 8.819 -0.659 19185 4045 1 12 . 1 1 56 56 THR N N 56 114.937 114.937 114.888 0.049 19185 4046 1 12 . 1 1 56 56 THR HA H 56 4.217 4.217 4.115 0.102 19185 4047 1 12 . 1 1 56 56 THR C C 56 173.642 173.642 174.613 -0.971 19185 4048 1 12 . 1 1 56 56 THR CA C 56 61.962 61.962 65.034 -3.072 19185 4049 1 12 . 1 1 56 56 THR CB C 56 69.556 69.556 69.324 0.232 19185 4050 1 12 . 1 1 56 56 THR H H 56 7.999 7.999 7.881 0.118 19185 4051 1 12 . 1 1 57 57 TYR N N 57 122.914 122.914 124.905 -1.991 19185 4052 1 12 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.770 0.067 19185 4053 1 12 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.370 1.069 19185 4054 1 12 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.388 -1.120 19185 4055 1 12 . 1 1 57 57 TYR H H 57 8.113 8.113 7.727 0.386 19185 4056 1 12 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.550 0.274 19185 4057 1 12 . 1 1 58 58 PRO CA C 58 62.976 62.976 60.876 2.100 19185 4058 1 12 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.015 -0.227 19185 4059 1 12 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.299 0.183 19185 4060 1 12 . 1 1 59 59 PRO C C 59 176.873 176.873 176.344 0.529 19185 4061 1 12 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.599 0.312 19185 4062 1 12 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.364 -0.373 19185 4063 1 12 . 1 1 60 60 GLU N N 60 120.610 120.610 122.813 -2.203 19185 4064 1 12 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.075 0.298 19185 4065 1 12 . 1 1 60 60 GLU C C 60 175.459 175.459 175.889 -0.430 19185 4066 1 12 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.553 -1.565 19185 4067 1 12 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.474 0.188 19185 4068 1 12 . 1 1 60 60 GLU H H 60 8.410 8.410 8.491 -0.081 19185 4069 1 13 . 1 1 2 2 THR N N 2 112.540 112.540 118.559 -6.019 19185 4070 1 13 . 1 1 2 2 THR HA H 2 4.713 4.713 4.649 0.064 19185 4071 1 13 . 1 1 2 2 THR C C 2 174.853 174.853 175.523 -0.670 19185 4072 1 13 . 1 1 2 2 THR CA C 2 59.734 59.734 61.993 -2.260 19185 4073 1 13 . 1 1 2 2 THR CB C 2 71.378 71.378 70.533 0.845 19185 4074 1 13 . 1 1 2 2 THR H H 2 8.189 8.189 8.615 -0.426 19185 4075 1 13 . 1 1 3 3 LEU N N 3 121.600 121.600 124.906 -3.306 19185 4076 1 13 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.169 -0.068 19185 4077 1 13 . 1 1 3 3 LEU C C 3 178.488 178.488 178.704 -0.216 19185 4078 1 13 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.221 0.932 19185 4079 1 13 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.210 0.233 19185 4080 1 13 . 1 1 3 3 LEU H H 3 8.997 8.997 8.938 0.059 19185 4081 1 13 . 1 1 4 4 ILE N N 4 116.394 116.394 119.092 -2.698 19185 4082 1 13 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.802 -0.004 19185 4083 1 13 . 1 1 4 4 ILE C C 4 176.847 176.847 178.362 -1.515 19185 4084 1 13 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.793 -0.009 19185 4085 1 13 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.559 0.518 19185 4086 1 13 . 1 1 4 4 ILE H H 4 8.173 8.173 8.111 0.062 19185 4087 1 13 . 1 1 5 5 GLU N N 5 118.842 118.842 119.979 -1.137 19185 4088 1 13 . 1 1 5 5 GLU HA H 5 3.773 3.773 3.976 -0.203 19185 4089 1 13 . 1 1 5 5 GLU C C 5 177.554 177.554 179.118 -1.564 19185 4090 1 13 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.532 0.066 19185 4091 1 13 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.282 -0.430 19185 4092 1 13 . 1 1 5 5 GLU H H 5 7.394 7.394 7.693 -0.299 19185 4093 1 13 . 1 1 6 6 LEU N N 6 117.867 117.867 119.245 -1.378 19185 4094 1 13 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.105 -0.189 19185 4095 1 13 . 1 1 6 6 LEU C C 6 177.832 177.832 178.505 -0.673 19185 4096 1 13 . 1 1 6 6 LEU CA C 6 58.013 58.013 58.273 -0.260 19185 4097 1 13 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.470 0.140 19185 4098 1 13 . 1 1 6 6 LEU H H 6 7.885 7.885 7.413 0.472 19185 4099 1 13 . 1 1 7 7 LEU N N 7 117.636 117.636 120.282 -2.646 19185 4100 1 13 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.079 -0.189 19185 4101 1 13 . 1 1 7 7 LEU C C 7 178.135 178.135 178.850 -0.715 19185 4102 1 13 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.710 0.202 19185 4103 1 13 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.810 -0.343 19185 4104 1 13 . 1 1 7 7 LEU H H 7 8.328 8.328 7.365 0.963 19185 4105 1 13 . 1 1 8 8 ILE N N 8 117.838 117.838 119.670 -1.832 19185 4106 1 13 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.634 -0.065 19185 4107 1 13 . 1 1 8 8 ILE C C 8 177.150 177.150 177.721 -0.571 19185 4108 1 13 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.847 -0.645 19185 4109 1 13 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.957 -0.742 19185 4110 1 13 . 1 1 8 8 ILE H H 8 8.054 8.054 7.668 0.386 19185 4111 1 13 . 1 1 9 9 VAL N N 9 118.866 118.866 120.175 -1.309 19185 4112 1 13 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.578 -0.096 19185 4113 1 13 . 1 1 9 9 VAL C C 9 177.352 177.352 177.946 -0.594 19185 4114 1 13 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.241 0.391 19185 4115 1 13 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.611 -0.329 19185 4116 1 13 . 1 1 9 9 VAL H H 9 8.026 8.026 8.163 -0.137 19185 4117 1 13 . 1 1 10 10 VAL N N 10 118.095 118.095 118.748 -0.653 19185 4118 1 13 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.664 -0.221 19185 4119 1 13 . 1 1 10 10 VAL C C 10 176.948 176.948 177.175 -0.227 19185 4120 1 13 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.535 1.599 19185 4121 1 13 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.599 -0.621 19185 4122 1 13 . 1 1 10 10 VAL H H 10 8.399 8.399 8.182 0.217 19185 4123 1 13 . 1 1 11 11 ALA N N 11 121.128 121.128 122.853 -1.725 19185 4124 1 13 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.047 -0.126 19185 4125 1 13 . 1 1 11 11 ALA C C 11 178.816 178.816 179.423 -0.607 19185 4126 1 13 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.276 0.064 19185 4127 1 13 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.293 -0.625 19185 4128 1 13 . 1 1 11 11 ALA H H 11 8.327 8.327 7.452 0.875 19185 4129 1 13 . 1 1 12 12 ILE N N 12 116.336 116.336 115.980 0.356 19185 4130 1 13 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.693 -0.131 19185 4131 1 13 . 1 1 12 12 ILE C C 12 177.403 177.403 177.958 -0.555 19185 4132 1 13 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.812 0.491 19185 4133 1 13 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.733 -0.376 19185 4134 1 13 . 1 1 12 12 ILE H H 12 8.275 8.275 8.049 0.226 19185 4135 1 13 . 1 1 13 13 ILE N N 13 118.949 118.949 120.820 -1.871 19185 4136 1 13 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.785 -0.237 19185 4137 1 13 . 1 1 13 13 ILE C C 13 177.352 177.352 178.167 -0.815 19185 4138 1 13 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.281 1.129 19185 4139 1 13 . 1 1 13 13 ILE CB C 13 36.772 36.772 36.797 -0.025 19185 4140 1 13 . 1 1 13 13 ILE H H 13 8.313 8.313 8.112 0.201 19185 4141 1 13 . 1 1 14 14 GLY N N 14 106.566 106.566 108.525 -1.959 19185 4142 1 13 . 1 1 14 14 GLY C C 14 174.576 174.576 176.277 -1.701 19185 4143 1 13 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.358 0.151 19185 4144 1 13 . 1 1 14 14 GLY H H 14 8.656 8.656 7.828 0.828 19185 4145 1 13 . 1 1 15 15 ILE N N 15 121.111 121.111 122.937 -1.826 19185 4146 1 13 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.739 -0.113 19185 4147 1 13 . 1 1 15 15 ILE C C 15 177.226 177.226 177.649 -0.423 19185 4148 1 13 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.852 0.450 19185 4149 1 13 . 1 1 15 15 ILE CB C 15 37.740 37.740 38.010 -0.269 19185 4150 1 13 . 1 1 15 15 ILE H H 15 8.310 8.310 7.449 0.861 19185 4151 1 13 . 1 1 16 16 LEU N N 16 117.956 117.956 119.608 -1.652 19185 4152 1 13 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.900 0.066 19185 4153 1 13 . 1 1 16 16 LEU C C 16 178.665 178.665 179.232 -0.567 19185 4154 1 13 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.870 -0.161 19185 4155 1 13 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.141 0.359 19185 4156 1 13 . 1 1 16 16 LEU H H 16 8.250 8.250 8.095 0.155 19185 4157 1 13 . 1 1 17 17 ALA N N 17 119.727 119.727 121.205 -1.478 19185 4158 1 13 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.083 -0.167 19185 4159 1 13 . 1 1 17 17 ALA C C 17 178.160 178.160 179.185 -1.025 19185 4160 1 13 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.880 0.179 19185 4161 1 13 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.047 -0.194 19185 4162 1 13 . 1 1 17 17 ALA H H 17 8.640 8.640 8.263 0.377 19185 4163 1 13 . 1 1 18 18 ALA N N 18 117.791 117.791 121.447 -3.656 19185 4164 1 13 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.066 -0.026 19185 4165 1 13 . 1 1 18 18 ALA C C 18 178.841 178.841 179.119 -0.278 19185 4166 1 13 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.889 -0.443 19185 4167 1 13 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.611 -0.442 19185 4168 1 13 . 1 1 18 18 ALA H H 18 7.983 7.983 7.778 0.205 19185 4169 1 13 . 1 1 19 19 ILE N N 19 112.844 112.844 114.377 -1.533 19185 4170 1 13 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.197 -0.209 19185 4171 1 13 . 1 1 19 19 ILE C C 19 176.696 176.696 177.573 -0.877 19185 4172 1 13 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.694 0.330 19185 4173 1 13 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.697 0.858 19185 4174 1 13 . 1 1 19 19 ILE H H 19 7.701 7.701 7.771 -0.070 19185 4175 1 13 . 1 1 20 20 ALA N N 20 120.774 120.774 123.828 -3.054 19185 4176 1 13 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.045 0.226 19185 4177 1 13 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.158 -1.607 19185 4178 1 13 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.216 1.667 19185 4179 1 13 . 1 1 20 20 ALA H H 20 8.086 8.086 7.535 0.551 19185 4180 1 13 . 1 1 21 21 ILE N N 21 117.619 117.619 118.403 -0.784 19185 4181 1 13 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.983 0.241 19185 4182 1 13 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.024 -3.398 19185 4183 1 13 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.540 1.294 19185 4184 1 13 . 1 1 21 21 ILE H H 21 8.056 8.056 8.135 -0.079 19185 4185 1 13 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.237 0.147 19185 4186 1 13 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.140 -0.931 19185 4187 1 13 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.051 0.477 19185 4188 1 13 . 1 1 23 23 GLN N N 23 115.494 115.494 118.594 -3.100 19185 4189 1 13 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.105 0.095 19185 4190 1 13 . 1 1 23 23 GLN C C 23 176.898 176.898 178.595 -1.697 19185 4191 1 13 . 1 1 23 23 GLN CA C 23 57.426 57.426 59.018 -1.592 19185 4192 1 13 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.656 -0.619 19185 4193 1 13 . 1 1 23 23 GLN H H 23 8.123 8.123 7.938 0.185 19185 4194 1 13 . 1 1 24 24 PHE N N 24 118.541 118.541 120.019 -1.478 19185 4195 1 13 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.447 0.225 19185 4196 1 13 . 1 1 24 24 PHE C C 24 176.494 176.494 177.244 -0.750 19185 4197 1 13 . 1 1 24 24 PHE CA C 24 58.317 58.317 60.153 -1.836 19185 4198 1 13 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.527 -0.615 19185 4199 1 13 . 1 1 24 24 PHE H H 24 8.068 8.068 8.327 -0.259 19185 4200 1 13 . 1 1 25 25 SER N N 25 115.228 115.228 116.506 -1.278 19185 4201 1 13 . 1 1 25 25 SER HA H 25 4.278 4.278 3.910 0.368 19185 4202 1 13 . 1 1 25 25 SER C C 25 175.308 175.308 176.603 -1.295 19185 4203 1 13 . 1 1 25 25 SER CA C 25 60.288 60.288 62.028 -1.740 19185 4204 1 13 . 1 1 25 25 SER CB C 25 63.278 63.278 63.174 0.104 19185 4205 1 13 . 1 1 25 25 SER H H 25 8.081 8.081 8.631 -0.550 19185 4206 1 13 . 1 1 26 26 ALA N N 26 123.792 123.792 122.578 1.214 19185 4207 1 13 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.090 0.106 19185 4208 1 13 . 1 1 26 26 ALA C C 26 178.387 178.387 179.477 -1.090 19185 4209 1 13 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.805 -1.156 19185 4210 1 13 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.148 0.320 19185 4211 1 13 . 1 1 26 26 ALA H H 26 8.151 8.151 8.038 0.113 19185 4212 1 13 . 1 1 27 27 TYR N N 27 116.956 116.956 120.106 -3.150 19185 4213 1 13 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.190 0.190 19185 4214 1 13 . 1 1 27 27 TYR C C 27 176.090 176.090 177.390 -1.300 19185 4215 1 13 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.479 -2.518 19185 4216 1 13 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.828 -0.458 19185 4217 1 13 . 1 1 27 27 TYR H H 27 7.830 7.830 7.618 0.212 19185 4218 1 13 . 1 1 28 28 ARG N N 28 119.962 119.962 118.888 1.074 19185 4219 1 13 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.941 0.193 19185 4220 1 13 . 1 1 28 28 ARG C C 28 176.595 176.595 178.536 -1.941 19185 4221 1 13 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.823 -1.586 19185 4222 1 13 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.605 0.867 19185 4223 1 13 . 1 1 28 28 ARG H H 28 7.814 7.814 7.913 -0.099 19185 4224 1 13 . 1 1 29 29 VAL N N 29 118.483 118.483 122.083 -3.600 19185 4225 1 13 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.673 0.293 19185 4226 1 13 . 1 1 29 29 VAL C C 29 176.545 176.545 177.142 -0.597 19185 4227 1 13 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.666 -3.209 19185 4228 1 13 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.781 0.435 19185 4229 1 13 . 1 1 29 29 VAL H H 29 7.819 7.819 8.195 -0.376 19185 4230 1 13 . 1 1 30 30 LYS N N 30 122.256 122.256 119.327 2.929 19185 4231 1 13 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.018 0.181 19185 4232 1 13 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.281 -2.267 19185 4233 1 13 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.742 0.895 19185 4234 1 13 . 1 1 30 30 LYS H H 30 7.962 7.962 7.877 0.085 19185 4235 1 13 . 1 1 31 31 ALA N N 31 122.625 122.625 123.024 -0.399 19185 4236 1 13 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.982 0.226 19185 4237 1 13 . 1 1 31 31 ALA C C 31 177.680 177.680 179.251 -1.571 19185 4238 1 13 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.741 -1.892 19185 4239 1 13 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.847 1.183 19185 4240 1 13 . 1 1 31 31 ALA H H 31 8.053 8.053 7.714 0.339 19185 4241 1 13 . 1 1 32 32 TYR N N 32 118.444 118.444 118.031 0.413 19185 4242 1 13 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.355 0.093 19185 4243 1 13 . 1 1 32 32 TYR C C 32 175.686 175.686 176.374 -0.688 19185 4244 1 13 . 1 1 32 32 TYR CA C 32 58.576 58.576 59.357 -0.781 19185 4245 1 13 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.515 -0.044 19185 4246 1 13 . 1 1 32 32 TYR H H 32 8.016 8.016 7.610 0.406 19185 4247 1 13 . 1 1 33 33 ASN N N 33 119.421 119.421 117.607 1.814 19185 4248 1 13 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.476 0.177 19185 4249 1 13 . 1 1 33 33 ASN C C 33 175.510 175.510 176.373 -0.863 19185 4250 1 13 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.832 -2.274 19185 4251 1 13 . 1 1 33 33 ASN CB C 33 38.791 38.791 39.503 -0.712 19185 4252 1 13 . 1 1 33 33 ASN H H 33 8.174 8.174 8.293 -0.119 19185 4253 1 13 . 1 1 34 34 SER N N 34 116.151 116.151 116.363 -0.212 19185 4254 1 13 . 1 1 34 34 SER HA H 34 4.359 4.359 4.222 0.137 19185 4255 1 13 . 1 1 34 34 SER C C 34 174.727 174.727 175.720 -0.993 19185 4256 1 13 . 1 1 34 34 SER CA C 34 59.127 59.127 61.294 -2.167 19185 4257 1 13 . 1 1 34 34 SER CB C 34 63.582 63.582 63.181 0.401 19185 4258 1 13 . 1 1 34 34 SER H H 34 8.143 8.143 8.057 0.086 19185 4259 1 13 . 1 1 35 35 ALA N N 35 125.119 125.119 123.187 1.932 19185 4260 1 13 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.165 0.172 19185 4261 1 13 . 1 1 35 35 ALA C C 35 177.807 177.807 179.269 -1.462 19185 4262 1 13 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.610 -1.559 19185 4263 1 13 . 1 1 35 35 ALA CB C 35 18.962 18.962 17.993 0.969 19185 4264 1 13 . 1 1 35 35 ALA H H 35 8.204 8.204 7.603 0.601 19185 4265 1 13 . 1 1 36 36 ALA N N 36 121.508 121.508 121.087 0.421 19185 4266 1 13 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.972 0.318 19185 4267 1 13 . 1 1 36 36 ALA C C 36 178.059 178.059 179.629 -1.570 19185 4268 1 13 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.730 -1.780 19185 4269 1 13 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.913 1.117 19185 4270 1 13 . 1 1 36 36 ALA H H 36 8.134 8.134 7.998 0.136 19185 4271 1 13 . 1 1 37 37 SER N N 37 113.501 113.501 115.251 -1.750 19185 4272 1 13 . 1 1 37 37 SER HA H 37 4.365 4.365 3.987 0.378 19185 4273 1 13 . 1 1 37 37 SER C C 37 175.384 175.384 176.753 -1.369 19185 4274 1 13 . 1 1 37 37 SER CA C 37 59.127 59.127 61.922 -2.795 19185 4275 1 13 . 1 1 37 37 SER CB C 37 63.379 63.379 63.157 0.222 19185 4276 1 13 . 1 1 37 37 SER H H 37 8.071 8.071 7.930 0.141 19185 4277 1 13 . 1 1 38 38 SER N N 38 117.437 117.437 117.432 0.005 19185 4278 1 13 . 1 1 38 38 SER HA H 38 4.371 4.371 4.123 0.248 19185 4279 1 13 . 1 1 38 38 SER C C 38 174.828 174.828 176.266 -1.438 19185 4280 1 13 . 1 1 38 38 SER CA C 38 59.485 59.485 62.047 -2.562 19185 4281 1 13 . 1 1 38 38 SER CB C 38 63.379 63.379 63.083 0.296 19185 4282 1 13 . 1 1 38 38 SER H H 38 8.170 8.170 8.043 0.127 19185 4283 1 13 . 1 1 39 39 ASP N N 39 121.556 121.556 123.079 -1.523 19185 4284 1 13 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.383 0.213 19185 4285 1 13 . 1 1 39 39 ASP C C 39 177.226 177.226 178.043 -0.817 19185 4286 1 13 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.211 -2.020 19185 4287 1 13 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.876 -0.481 19185 4288 1 13 . 1 1 39 39 ASP H H 39 8.216 8.216 7.976 0.240 19185 4289 1 13 . 1 1 40 40 LEU N N 40 121.423 121.423 119.418 2.005 19185 4290 1 13 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.066 0.116 19185 4291 1 13 . 1 1 40 40 LEU C C 40 178.109 178.109 179.517 -1.408 19185 4292 1 13 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.427 -0.725 19185 4293 1 13 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.766 -0.258 19185 4294 1 13 . 1 1 40 40 LEU H H 40 8.265 8.265 7.578 0.687 19185 4295 1 13 . 1 1 41 41 ARG N N 41 119.425 119.425 118.616 0.809 19185 4296 1 13 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.130 -0.070 19185 4297 1 13 . 1 1 41 41 ARG C C 41 178.160 178.160 178.749 -0.589 19185 4298 1 13 . 1 1 41 41 ARG CA C 41 58.926 58.926 57.635 1.291 19185 4299 1 13 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.186 0.577 19185 4300 1 13 . 1 1 41 41 ARG H H 41 8.109 8.109 8.460 -0.351 19185 4301 1 13 . 1 1 42 42 ASN N N 42 117.770 117.770 119.614 -1.844 19185 4302 1 13 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.551 0.072 19185 4303 1 13 . 1 1 42 42 ASN C C 42 177.049 177.049 177.869 -0.820 19185 4304 1 13 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.975 -1.304 19185 4305 1 13 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.245 -0.280 19185 4306 1 13 . 1 1 42 42 ASN H H 42 8.239 8.239 8.057 0.182 19185 4307 1 13 . 1 1 43 43 LEU N N 43 122.159 122.159 120.112 2.047 19185 4308 1 13 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.054 0.104 19185 4309 1 13 . 1 1 43 43 LEU C C 43 177.504 177.504 178.910 -1.406 19185 4310 1 13 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.764 -0.257 19185 4311 1 13 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.745 -0.006 19185 4312 1 13 . 1 1 43 43 LEU H H 43 8.048 8.048 8.041 0.007 19185 4313 1 13 . 1 1 44 44 LYS N N 44 119.015 119.015 119.395 -0.380 19185 4314 1 13 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.054 -0.158 19185 4315 1 13 . 1 1 44 44 LYS C C 44 178.059 178.059 178.811 -0.752 19185 4316 1 13 . 1 1 44 44 LYS CA C 44 60.139 60.139 58.936 1.203 19185 4317 1 13 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.661 0.735 19185 4318 1 13 . 1 1 44 44 LYS H H 44 8.212 8.212 7.884 0.328 19185 4319 1 13 . 1 1 45 45 THR N N 45 113.770 113.770 114.881 -1.111 19185 4320 1 13 . 1 1 45 45 THR HA H 45 4.032 4.032 4.062 -0.030 19185 4321 1 13 . 1 1 45 45 THR C C 45 176.469 176.469 176.123 0.346 19185 4322 1 13 . 1 1 45 45 THR CA C 45 65.303 65.303 66.009 -0.706 19185 4323 1 13 . 1 1 45 45 THR CB C 45 68.645 68.645 68.424 0.221 19185 4324 1 13 . 1 1 45 45 THR H H 45 8.080 8.080 7.962 0.118 19185 4325 1 13 . 1 1 46 46 ALA N N 46 124.926 124.926 124.616 0.310 19185 4326 1 13 . 1 1 46 46 ALA HA H 46 4.173 4.173 3.998 0.175 19185 4327 1 13 . 1 1 46 46 ALA C C 46 179.977 179.977 179.568 0.409 19185 4328 1 13 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.107 -0.227 19185 4329 1 13 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.275 -0.047 19185 4330 1 13 . 1 1 46 46 ALA H H 46 8.048 8.048 7.551 0.497 19185 4331 1 13 . 1 1 47 47 LEU N N 47 118.030 118.030 118.656 -0.626 19185 4332 1 13 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.844 0.244 19185 4333 1 13 . 1 1 47 47 LEU C C 47 177.832 177.832 179.352 -1.520 19185 4334 1 13 . 1 1 47 47 LEU CA C 47 57.388 57.388 58.153 -0.765 19185 4335 1 13 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.404 0.408 19185 4336 1 13 . 1 1 47 47 LEU H H 47 8.257 8.257 7.761 0.496 19185 4337 1 13 . 1 1 48 48 GLU N N 48 117.324 117.324 119.144 -1.820 19185 4338 1 13 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.134 -0.081 19185 4339 1 13 . 1 1 48 48 GLU C C 48 178.690 178.690 179.853 -1.163 19185 4340 1 13 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.210 -0.387 19185 4341 1 13 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.973 -0.324 19185 4342 1 13 . 1 1 48 48 GLU H H 48 8.282 8.282 8.533 -0.251 19185 4343 1 13 . 1 1 49 49 SER N N 49 114.057 114.057 115.789 -1.732 19185 4344 1 13 . 1 1 49 49 SER HA H 49 4.330 4.330 4.253 0.077 19185 4345 1 13 . 1 1 49 49 SER C C 49 175.283 175.283 176.403 -1.120 19185 4346 1 13 . 1 1 49 49 SER CA C 49 60.589 60.589 60.732 -0.143 19185 4347 1 13 . 1 1 49 49 SER CB C 49 63.076 63.076 63.091 -0.015 19185 4348 1 13 . 1 1 49 49 SER H H 49 8.059 8.059 8.138 -0.079 19185 4349 1 13 . 1 1 50 50 ALA N N 50 123.125 123.125 125.188 -2.063 19185 4350 1 13 . 1 1 50 50 ALA HA H 50 4.150 4.150 3.993 0.157 19185 4351 1 13 . 1 1 50 50 ALA C C 50 178.034 178.034 178.919 -0.885 19185 4352 1 13 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.783 -1.023 19185 4353 1 13 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.176 0.348 19185 4354 1 13 . 1 1 50 50 ALA H H 50 7.776 7.776 7.333 0.443 19185 4355 1 13 . 1 1 51 51 PHE N N 51 114.586 114.586 116.680 -2.094 19185 4356 1 13 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.890 -0.300 19185 4357 1 13 . 1 1 51 51 PHE C C 51 175.560 175.560 177.391 -1.831 19185 4358 1 13 . 1 1 51 51 PHE CA C 51 57.941 57.941 58.995 -1.054 19185 4359 1 13 . 1 1 51 51 PHE CB C 51 39.306 39.306 38.807 0.499 19185 4360 1 13 . 1 1 51 51 PHE H H 51 7.782 7.782 7.957 -0.175 19185 4361 1 13 . 1 1 52 52 ALA N N 52 122.550 122.550 120.595 1.955 19185 4362 1 13 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.280 0.053 19185 4363 1 13 . 1 1 52 52 ALA C C 52 177.529 177.529 178.137 -0.608 19185 4364 1 13 . 1 1 52 52 ALA CA C 52 52.950 52.950 53.835 -0.885 19185 4365 1 13 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.730 0.604 19185 4366 1 13 . 1 1 52 52 ALA H H 52 7.731 7.731 7.656 0.075 19185 4367 1 13 . 1 1 53 53 ASP N N 53 118.118 118.118 118.629 -0.511 19185 4368 1 13 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.619 0.045 19185 4369 1 13 . 1 1 53 53 ASP C C 53 175.686 175.686 176.371 -0.685 19185 4370 1 13 . 1 1 53 53 ASP CA C 53 53.861 53.861 55.690 -1.829 19185 4371 1 13 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.879 -1.761 19185 4372 1 13 . 1 1 53 53 ASP H H 53 8.230 8.230 7.869 0.361 19185 4373 1 13 . 1 1 54 54 ASP N N 54 119.502 119.502 120.364 -0.862 19185 4374 1 13 . 1 1 54 54 ASP HA H 54 4.664 4.664 5.010 -0.346 19185 4375 1 13 . 1 1 54 54 ASP CA C 54 53.861 53.861 53.984 -0.123 19185 4376 1 13 . 1 1 54 54 ASP CB C 54 39.888 39.888 42.127 -2.239 19185 4377 1 13 . 1 1 54 54 ASP H H 54 8.217 8.217 8.200 0.017 19185 4378 1 13 . 1 1 55 55 GLN N N 55 119.498 119.498 123.394 -3.896 19185 4379 1 13 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.318 0.005 19185 4380 1 13 . 1 1 55 55 GLN C C 55 175.712 175.712 176.622 -0.910 19185 4381 1 13 . 1 1 55 55 GLN CA C 55 55.812 55.812 57.652 -1.840 19185 4382 1 13 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.578 0.780 19185 4383 1 13 . 1 1 55 55 GLN H H 55 8.160 8.160 8.854 -0.694 19185 4384 1 13 . 1 1 56 56 THR N N 56 114.937 114.937 109.703 5.234 19185 4385 1 13 . 1 1 56 56 THR HA H 56 4.217 4.217 4.187 0.030 19185 4386 1 13 . 1 1 56 56 THR C C 56 173.642 173.642 174.748 -1.106 19185 4387 1 13 . 1 1 56 56 THR CA C 56 61.962 61.962 63.676 -1.714 19185 4388 1 13 . 1 1 56 56 THR CB C 56 69.556 69.556 68.713 0.843 19185 4389 1 13 . 1 1 56 56 THR H H 56 7.999 7.999 8.104 -0.105 19185 4390 1 13 . 1 1 57 57 TYR N N 57 122.914 122.914 123.843 -0.929 19185 4391 1 13 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.802 0.035 19185 4392 1 13 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.599 -0.160 19185 4393 1 13 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.696 -0.428 19185 4394 1 13 . 1 1 57 57 TYR H H 57 8.113 8.113 7.632 0.481 19185 4395 1 13 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.776 0.048 19185 4396 1 13 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.440 1.536 19185 4397 1 13 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.594 -0.806 19185 4398 1 13 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.344 0.138 19185 4399 1 13 . 1 1 59 59 PRO C C 59 176.873 176.873 177.422 -0.549 19185 4400 1 13 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.171 0.740 19185 4401 1 13 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.274 -0.283 19185 4402 1 13 . 1 1 60 60 GLU N N 60 120.610 120.610 120.420 0.190 19185 4403 1 13 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.079 0.294 19185 4404 1 13 . 1 1 60 60 GLU C C 60 175.459 175.459 176.099 -0.640 19185 4405 1 13 . 1 1 60 60 GLU CA C 60 55.988 55.988 58.217 -2.229 19185 4406 1 13 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.834 -0.172 19185 4407 1 13 . 1 1 60 60 GLU H H 60 8.410 8.410 8.915 -0.505 19185 4408 1 14 . 1 1 2 2 THR N N 2 112.540 112.540 117.133 -4.593 19185 4409 1 14 . 1 1 2 2 THR HA H 2 4.713 4.713 4.220 0.493 19185 4410 1 14 . 1 1 2 2 THR C C 2 174.853 174.853 175.912 -1.059 19185 4411 1 14 . 1 1 2 2 THR CA C 2 59.734 59.734 62.598 -2.864 19185 4412 1 14 . 1 1 2 2 THR CB C 2 71.378 71.378 69.937 1.441 19185 4413 1 14 . 1 1 2 2 THR H H 2 8.189 8.189 7.930 0.259 19185 4414 1 14 . 1 1 3 3 LEU N N 3 121.600 121.600 122.566 -0.966 19185 4415 1 14 . 1 1 3 3 LEU HA H 3 4.101 4.101 3.907 0.194 19185 4416 1 14 . 1 1 3 3 LEU C C 3 178.488 178.488 178.660 -0.172 19185 4417 1 14 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.275 0.878 19185 4418 1 14 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.261 0.182 19185 4419 1 14 . 1 1 3 3 LEU H H 3 8.997 8.997 8.578 0.419 19185 4420 1 14 . 1 1 4 4 ILE N N 4 116.394 116.394 119.590 -3.196 19185 4421 1 14 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.769 0.029 19185 4422 1 14 . 1 1 4 4 ILE C C 4 176.847 176.847 178.467 -1.620 19185 4423 1 14 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.118 -0.334 19185 4424 1 14 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.360 0.717 19185 4425 1 14 . 1 1 4 4 ILE H H 4 8.173 8.173 7.831 0.342 19185 4426 1 14 . 1 1 5 5 GLU N N 5 118.842 118.842 119.648 -0.806 19185 4427 1 14 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.098 -0.325 19185 4428 1 14 . 1 1 5 5 GLU C C 5 177.554 177.554 179.721 -2.167 19185 4429 1 14 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.069 0.529 19185 4430 1 14 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.207 -0.355 19185 4431 1 14 . 1 1 5 5 GLU H H 5 7.394 7.394 7.706 -0.312 19185 4432 1 14 . 1 1 6 6 LEU N N 6 117.867 117.867 120.091 -2.224 19185 4433 1 14 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.014 -0.098 19185 4434 1 14 . 1 1 6 6 LEU C C 6 177.832 177.832 179.097 -1.265 19185 4435 1 14 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.562 0.451 19185 4436 1 14 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.560 0.050 19185 4437 1 14 . 1 1 6 6 LEU H H 6 7.885 7.885 8.164 -0.279 19185 4438 1 14 . 1 1 7 7 LEU N N 7 117.636 117.636 120.463 -2.827 19185 4439 1 14 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.984 -0.094 19185 4440 1 14 . 1 1 7 7 LEU C C 7 178.135 178.135 178.809 -0.674 19185 4441 1 14 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.991 -0.079 19185 4442 1 14 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.752 -0.285 19185 4443 1 14 . 1 1 7 7 LEU H H 7 8.328 8.328 7.679 0.648 19185 4444 1 14 . 1 1 8 8 ILE N N 8 117.838 117.838 118.867 -1.029 19185 4445 1 14 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.645 -0.076 19185 4446 1 14 . 1 1 8 8 ILE C C 8 177.150 177.150 177.945 -0.795 19185 4447 1 14 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.737 -0.535 19185 4448 1 14 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.830 -0.615 19185 4449 1 14 . 1 1 8 8 ILE H H 8 8.054 8.054 7.986 0.068 19185 4450 1 14 . 1 1 9 9 VAL N N 9 118.866 118.866 119.976 -1.110 19185 4451 1 14 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.688 -0.206 19185 4452 1 14 . 1 1 9 9 VAL C C 9 177.352 177.352 177.533 -0.181 19185 4453 1 14 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.450 1.182 19185 4454 1 14 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.869 -0.587 19185 4455 1 14 . 1 1 9 9 VAL H H 9 8.026 8.026 7.932 0.094 19185 4456 1 14 . 1 1 10 10 VAL N N 10 118.095 118.095 119.314 -1.219 19185 4457 1 14 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.565 -0.122 19185 4458 1 14 . 1 1 10 10 VAL C C 10 176.948 176.948 177.556 -0.608 19185 4459 1 14 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.723 0.411 19185 4460 1 14 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.310 -0.332 19185 4461 1 14 . 1 1 10 10 VAL H H 10 8.399 8.399 7.719 0.680 19185 4462 1 14 . 1 1 11 11 ALA N N 11 121.128 121.128 122.761 -1.633 19185 4463 1 14 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.064 -0.143 19185 4464 1 14 . 1 1 11 11 ALA C C 11 178.816 178.816 179.505 -0.689 19185 4465 1 14 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.314 0.026 19185 4466 1 14 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.347 -0.679 19185 4467 1 14 . 1 1 11 11 ALA H H 11 8.327 8.327 7.722 0.605 19185 4468 1 14 . 1 1 12 12 ILE N N 12 116.336 116.336 116.069 0.267 19185 4469 1 14 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.781 -0.219 19185 4470 1 14 . 1 1 12 12 ILE C C 12 177.403 177.403 177.744 -0.341 19185 4471 1 14 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.179 1.124 19185 4472 1 14 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.523 -0.166 19185 4473 1 14 . 1 1 12 12 ILE H H 12 8.275 8.275 8.115 0.160 19185 4474 1 14 . 1 1 13 13 ILE N N 13 118.949 118.949 120.943 -1.994 19185 4475 1 14 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.665 -0.117 19185 4476 1 14 . 1 1 13 13 ILE C C 13 177.352 177.352 178.237 -0.885 19185 4477 1 14 . 1 1 13 13 ILE CA C 13 65.410 65.410 65.262 0.148 19185 4478 1 14 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.081 -0.309 19185 4479 1 14 . 1 1 13 13 ILE H H 13 8.313 8.313 7.832 0.481 19185 4480 1 14 . 1 1 14 14 GLY N N 14 106.566 106.566 108.583 -2.017 19185 4481 1 14 . 1 1 14 14 GLY C C 14 174.576 174.576 175.867 -1.291 19185 4482 1 14 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.298 0.211 19185 4483 1 14 . 1 1 14 14 GLY H H 14 8.656 8.656 7.831 0.825 19185 4484 1 14 . 1 1 15 15 ILE N N 15 121.111 121.111 122.937 -1.826 19185 4485 1 14 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.720 -0.094 19185 4486 1 14 . 1 1 15 15 ILE C C 15 177.226 177.226 177.738 -0.512 19185 4487 1 14 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.791 0.511 19185 4488 1 14 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.965 -0.225 19185 4489 1 14 . 1 1 15 15 ILE H H 15 8.310 8.310 7.432 0.878 19185 4490 1 14 . 1 1 16 16 LEU N N 16 117.956 117.956 119.683 -1.727 19185 4491 1 14 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.900 0.066 19185 4492 1 14 . 1 1 16 16 LEU C C 16 178.665 178.665 179.191 -0.526 19185 4493 1 14 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.002 -0.293 19185 4494 1 14 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.059 0.440 19185 4495 1 14 . 1 1 16 16 LEU H H 16 8.250 8.250 8.183 0.067 19185 4496 1 14 . 1 1 17 17 ALA N N 17 119.727 119.727 121.360 -1.633 19185 4497 1 14 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.073 -0.157 19185 4498 1 14 . 1 1 17 17 ALA C C 17 178.160 178.160 179.336 -1.176 19185 4499 1 14 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.997 0.062 19185 4500 1 14 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.051 -0.198 19185 4501 1 14 . 1 1 17 17 ALA H H 17 8.640 8.640 7.926 0.714 19185 4502 1 14 . 1 1 18 18 ALA N N 18 117.791 117.791 120.933 -3.142 19185 4503 1 14 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.093 -0.053 19185 4504 1 14 . 1 1 18 18 ALA C C 18 178.841 178.841 179.049 -0.208 19185 4505 1 14 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.764 -0.318 19185 4506 1 14 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.655 -0.486 19185 4507 1 14 . 1 1 18 18 ALA H H 18 7.983 7.983 7.819 0.164 19185 4508 1 14 . 1 1 19 19 ILE N N 19 112.844 112.844 114.544 -1.700 19185 4509 1 14 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.205 -0.217 19185 4510 1 14 . 1 1 19 19 ILE C C 19 176.696 176.696 177.502 -0.806 19185 4511 1 14 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.584 0.440 19185 4512 1 14 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.805 0.750 19185 4513 1 14 . 1 1 19 19 ILE H H 19 7.701 7.701 7.805 -0.104 19185 4514 1 14 . 1 1 20 20 ALA N N 20 120.774 120.774 123.937 -3.163 19185 4515 1 14 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.169 0.102 19185 4516 1 14 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.276 -1.726 19185 4517 1 14 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.456 1.427 19185 4518 1 14 . 1 1 20 20 ALA H H 20 8.086 8.086 7.708 0.378 19185 4519 1 14 . 1 1 21 21 ILE N N 21 117.619 117.619 118.970 -1.351 19185 4520 1 14 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.905 0.319 19185 4521 1 14 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.362 -3.736 19185 4522 1 14 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.519 1.315 19185 4523 1 14 . 1 1 21 21 ILE H H 21 8.056 8.056 8.183 -0.127 19185 4524 1 14 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.196 0.188 19185 4525 1 14 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.094 -0.884 19185 4526 1 14 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.004 0.524 19185 4527 1 14 . 1 1 23 23 GLN N N 23 115.494 115.494 118.816 -3.322 19185 4528 1 14 . 1 1 23 23 GLN HA H 23 4.200 4.200 3.958 0.242 19185 4529 1 14 . 1 1 23 23 GLN C C 23 176.898 176.898 178.660 -1.762 19185 4530 1 14 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.925 -1.499 19185 4531 1 14 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.463 -0.426 19185 4532 1 14 . 1 1 23 23 GLN H H 23 8.123 8.123 7.755 0.368 19185 4533 1 14 . 1 1 24 24 PHE N N 24 118.541 118.541 117.423 1.118 19185 4534 1 14 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.693 -0.021 19185 4535 1 14 . 1 1 24 24 PHE C C 24 176.494 176.494 177.961 -1.467 19185 4536 1 14 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.990 -1.673 19185 4537 1 14 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.080 -0.168 19185 4538 1 14 . 1 1 24 24 PHE H H 24 8.068 8.068 8.464 -0.396 19185 4539 1 14 . 1 1 25 25 SER N N 25 115.228 115.228 117.351 -2.123 19185 4540 1 14 . 1 1 25 25 SER HA H 25 4.278 4.278 4.185 0.093 19185 4541 1 14 . 1 1 25 25 SER C C 25 175.308 175.308 176.464 -1.156 19185 4542 1 14 . 1 1 25 25 SER CA C 25 60.288 60.288 61.745 -1.457 19185 4543 1 14 . 1 1 25 25 SER CB C 25 63.278 63.278 63.012 0.266 19185 4544 1 14 . 1 1 25 25 SER H H 25 8.081 8.081 8.539 -0.458 19185 4545 1 14 . 1 1 26 26 ALA N N 26 123.792 123.792 123.051 0.741 19185 4546 1 14 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.130 0.066 19185 4547 1 14 . 1 1 26 26 ALA C C 26 178.387 178.387 179.748 -1.361 19185 4548 1 14 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.888 -1.238 19185 4549 1 14 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.166 0.302 19185 4550 1 14 . 1 1 26 26 ALA H H 26 8.151 8.151 8.001 0.150 19185 4551 1 14 . 1 1 27 27 TYR N N 27 116.956 116.956 119.658 -2.702 19185 4552 1 14 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.269 0.111 19185 4553 1 14 . 1 1 27 27 TYR C C 27 176.090 176.090 177.951 -1.861 19185 4554 1 14 . 1 1 27 27 TYR CA C 27 58.961 58.961 60.485 -1.524 19185 4555 1 14 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.672 -0.302 19185 4556 1 14 . 1 1 27 27 TYR H H 27 7.830 7.830 7.665 0.165 19185 4557 1 14 . 1 1 28 28 ARG N N 28 119.962 119.962 118.141 1.821 19185 4558 1 14 . 1 1 28 28 ARG HA H 28 4.134 4.134 4.052 0.082 19185 4559 1 14 . 1 1 28 28 ARG C C 28 176.595 176.595 178.847 -2.252 19185 4560 1 14 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.819 -1.582 19185 4561 1 14 . 1 1 28 28 ARG CB C 28 30.472 30.472 30.494 -0.022 19185 4562 1 14 . 1 1 28 28 ARG H H 28 7.814 7.814 8.134 -0.320 19185 4563 1 14 . 1 1 29 29 VAL N N 29 118.483 118.483 119.653 -1.170 19185 4564 1 14 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.994 -0.028 19185 4565 1 14 . 1 1 29 29 VAL C C 29 176.545 176.545 177.141 -0.596 19185 4566 1 14 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.477 -2.020 19185 4567 1 14 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.529 0.687 19185 4568 1 14 . 1 1 29 29 VAL H H 29 7.819 7.819 8.491 -0.672 19185 4569 1 14 . 1 1 30 30 LYS N N 30 122.256 122.256 120.900 1.356 19185 4570 1 14 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.202 -0.003 19185 4571 1 14 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.531 -2.517 19185 4572 1 14 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.905 0.732 19185 4573 1 14 . 1 1 30 30 LYS H H 30 7.962 7.962 8.129 -0.167 19185 4574 1 14 . 1 1 31 31 ALA N N 31 122.625 122.625 122.410 0.215 19185 4575 1 14 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.077 0.131 19185 4576 1 14 . 1 1 31 31 ALA C C 31 177.680 177.680 179.297 -1.617 19185 4577 1 14 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.520 -1.671 19185 4578 1 14 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.720 1.310 19185 4579 1 14 . 1 1 31 31 ALA H H 31 8.053 8.053 7.800 0.253 19185 4580 1 14 . 1 1 32 32 TYR N N 32 118.444 118.444 120.480 -2.036 19185 4581 1 14 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.018 0.430 19185 4582 1 14 . 1 1 32 32 TYR C C 32 175.686 175.686 177.590 -1.904 19185 4583 1 14 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.913 -3.337 19185 4584 1 14 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.401 0.070 19185 4585 1 14 . 1 1 32 32 TYR H H 32 8.016 8.016 7.709 0.307 19185 4586 1 14 . 1 1 33 33 ASN N N 33 119.421 119.421 117.127 2.294 19185 4587 1 14 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.174 0.479 19185 4588 1 14 . 1 1 33 33 ASN C C 33 175.510 175.510 177.876 -2.366 19185 4589 1 14 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.358 -2.800 19185 4590 1 14 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.875 0.916 19185 4591 1 14 . 1 1 33 33 ASN H H 33 8.174 8.174 8.441 -0.267 19185 4592 1 14 . 1 1 34 34 SER N N 34 116.151 116.151 115.732 0.419 19185 4593 1 14 . 1 1 34 34 SER HA H 34 4.359 4.359 4.184 0.175 19185 4594 1 14 . 1 1 34 34 SER C C 34 174.727 174.727 176.255 -1.528 19185 4595 1 14 . 1 1 34 34 SER CA C 34 59.127 59.127 61.228 -2.101 19185 4596 1 14 . 1 1 34 34 SER CB C 34 63.582 63.582 62.977 0.605 19185 4597 1 14 . 1 1 34 34 SER H H 34 8.143 8.143 8.117 0.026 19185 4598 1 14 . 1 1 35 35 ALA N N 35 125.119 125.119 123.342 1.777 19185 4599 1 14 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.062 0.275 19185 4600 1 14 . 1 1 35 35 ALA C C 35 177.807 177.807 179.339 -1.532 19185 4601 1 14 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.784 -1.733 19185 4602 1 14 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.184 0.778 19185 4603 1 14 . 1 1 35 35 ALA H H 35 8.204 8.204 7.801 0.403 19185 4604 1 14 . 1 1 36 36 ALA N N 36 121.508 121.508 120.713 0.795 19185 4605 1 14 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.908 0.382 19185 4606 1 14 . 1 1 36 36 ALA C C 36 178.059 178.059 179.703 -1.644 19185 4607 1 14 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.890 -1.940 19185 4608 1 14 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.006 1.024 19185 4609 1 14 . 1 1 36 36 ALA H H 36 8.134 8.134 8.028 0.106 19185 4610 1 14 . 1 1 37 37 SER N N 37 113.501 113.501 114.557 -1.056 19185 4611 1 14 . 1 1 37 37 SER HA H 37 4.365 4.365 4.008 0.357 19185 4612 1 14 . 1 1 37 37 SER C C 37 175.384 175.384 176.783 -1.399 19185 4613 1 14 . 1 1 37 37 SER CA C 37 59.127 59.127 62.196 -3.069 19185 4614 1 14 . 1 1 37 37 SER CB C 37 63.379 63.379 63.065 0.314 19185 4615 1 14 . 1 1 37 37 SER H H 37 8.071 8.071 8.051 0.020 19185 4616 1 14 . 1 1 38 38 SER N N 38 117.437 117.437 115.812 1.625 19185 4617 1 14 . 1 1 38 38 SER HA H 38 4.371 4.371 4.209 0.162 19185 4618 1 14 . 1 1 38 38 SER C C 38 174.828 174.828 176.329 -1.501 19185 4619 1 14 . 1 1 38 38 SER CA C 38 59.485 59.485 60.828 -1.343 19185 4620 1 14 . 1 1 38 38 SER CB C 38 63.379 63.379 63.208 0.172 19185 4621 1 14 . 1 1 38 38 SER H H 38 8.170 8.170 7.860 0.310 19185 4622 1 14 . 1 1 39 39 ASP N N 39 121.556 121.556 122.864 -1.308 19185 4623 1 14 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.371 0.225 19185 4624 1 14 . 1 1 39 39 ASP C C 39 177.226 177.226 177.966 -0.740 19185 4625 1 14 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.467 -2.276 19185 4626 1 14 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.877 -0.482 19185 4627 1 14 . 1 1 39 39 ASP H H 39 8.216 8.216 8.048 0.168 19185 4628 1 14 . 1 1 40 40 LEU N N 40 121.423 121.423 116.953 4.470 19185 4629 1 14 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.351 -0.169 19185 4630 1 14 . 1 1 40 40 LEU C C 40 178.109 178.109 179.015 -0.906 19185 4631 1 14 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.527 -0.825 19185 4632 1 14 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.434 0.074 19185 4633 1 14 . 1 1 40 40 LEU H H 40 8.265 8.265 7.558 0.707 19185 4634 1 14 . 1 1 41 41 ARG N N 41 119.425 119.425 118.437 0.988 19185 4635 1 14 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.105 -0.045 19185 4636 1 14 . 1 1 41 41 ARG C C 41 178.160 178.160 178.446 -0.286 19185 4637 1 14 . 1 1 41 41 ARG CA C 41 58.926 58.926 57.663 1.263 19185 4638 1 14 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.550 0.212 19185 4639 1 14 . 1 1 41 41 ARG H H 41 8.109 8.109 7.814 0.295 19185 4640 1 14 . 1 1 42 42 ASN N N 42 117.770 117.770 119.236 -1.466 19185 4641 1 14 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.586 0.037 19185 4642 1 14 . 1 1 42 42 ASN C C 42 177.049 177.049 177.804 -0.755 19185 4643 1 14 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.990 -1.319 19185 4644 1 14 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.318 -0.353 19185 4645 1 14 . 1 1 42 42 ASN H H 42 8.239 8.239 7.925 0.314 19185 4646 1 14 . 1 1 43 43 LEU N N 43 122.159 122.159 117.593 4.566 19185 4647 1 14 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.338 -0.180 19185 4648 1 14 . 1 1 43 43 LEU C C 43 177.504 177.504 178.600 -1.096 19185 4649 1 14 . 1 1 43 43 LEU CA C 43 57.507 57.507 58.249 -0.742 19185 4650 1 14 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.308 0.431 19185 4651 1 14 . 1 1 43 43 LEU H H 43 8.048 8.048 8.219 -0.171 19185 4652 1 14 . 1 1 44 44 LYS N N 44 119.015 119.015 119.978 -0.963 19185 4653 1 14 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.063 -0.167 19185 4654 1 14 . 1 1 44 44 LYS C C 44 178.059 178.059 178.617 -0.558 19185 4655 1 14 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.597 0.542 19185 4656 1 14 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.211 0.185 19185 4657 1 14 . 1 1 44 44 LYS H H 44 8.212 8.212 7.686 0.526 19185 4658 1 14 . 1 1 45 45 THR N N 45 113.770 113.770 114.523 -0.753 19185 4659 1 14 . 1 1 45 45 THR HA H 45 4.032 4.032 4.410 -0.378 19185 4660 1 14 . 1 1 45 45 THR C C 45 176.469 176.469 175.890 0.579 19185 4661 1 14 . 1 1 45 45 THR CA C 45 65.303 65.303 65.283 0.020 19185 4662 1 14 . 1 1 45 45 THR CB C 45 68.645 68.645 68.643 0.002 19185 4663 1 14 . 1 1 45 45 THR H H 45 8.080 8.080 7.750 0.330 19185 4664 1 14 . 1 1 46 46 ALA N N 46 124.926 124.926 123.758 1.168 19185 4665 1 14 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.142 0.031 19185 4666 1 14 . 1 1 46 46 ALA C C 46 179.977 179.977 179.764 0.213 19185 4667 1 14 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.034 -0.154 19185 4668 1 14 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.207 0.021 19185 4669 1 14 . 1 1 46 46 ALA H H 46 8.048 8.048 7.782 0.266 19185 4670 1 14 . 1 1 47 47 LEU N N 47 118.030 118.030 118.402 -0.372 19185 4671 1 14 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.058 0.030 19185 4672 1 14 . 1 1 47 47 LEU C C 47 177.832 177.832 179.201 -1.369 19185 4673 1 14 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.688 -0.300 19185 4674 1 14 . 1 1 47 47 LEU CB C 47 41.812 41.812 42.104 -0.292 19185 4675 1 14 . 1 1 47 47 LEU H H 47 8.257 8.257 7.642 0.615 19185 4676 1 14 . 1 1 48 48 GLU N N 48 117.324 117.324 118.388 -1.064 19185 4677 1 14 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.231 -0.178 19185 4678 1 14 . 1 1 48 48 GLU C C 48 178.690 178.690 179.035 -0.345 19185 4679 1 14 . 1 1 48 48 GLU CA C 48 58.823 58.823 58.781 0.042 19185 4680 1 14 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.248 -0.599 19185 4681 1 14 . 1 1 48 48 GLU H H 48 8.282 8.282 8.549 -0.267 19185 4682 1 14 . 1 1 49 49 SER N N 49 114.057 114.057 117.203 -3.146 19185 4683 1 14 . 1 1 49 49 SER HA H 49 4.330 4.330 4.284 0.046 19185 4684 1 14 . 1 1 49 49 SER C C 49 175.283 175.283 175.832 -0.549 19185 4685 1 14 . 1 1 49 49 SER CA C 49 60.589 60.589 60.678 -0.089 19185 4686 1 14 . 1 1 49 49 SER CB C 49 63.076 63.076 63.061 0.015 19185 4687 1 14 . 1 1 49 49 SER H H 49 8.059 8.059 7.951 0.108 19185 4688 1 14 . 1 1 50 50 ALA N N 50 123.125 123.125 122.078 1.047 19185 4689 1 14 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.152 -0.002 19185 4690 1 14 . 1 1 50 50 ALA C C 50 178.034 178.034 178.101 -0.067 19185 4691 1 14 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.281 -0.521 19185 4692 1 14 . 1 1 50 50 ALA CB C 50 18.524 18.524 19.026 -0.502 19185 4693 1 14 . 1 1 50 50 ALA H H 50 7.776 7.776 7.578 0.198 19185 4694 1 14 . 1 1 51 51 PHE N N 51 114.586 114.586 116.218 -1.632 19185 4695 1 14 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.699 -0.109 19185 4696 1 14 . 1 1 51 51 PHE C C 51 175.560 175.560 176.094 -0.534 19185 4697 1 14 . 1 1 51 51 PHE CA C 51 57.941 57.941 58.229 -0.288 19185 4698 1 14 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.891 -0.585 19185 4699 1 14 . 1 1 51 51 PHE H H 51 7.782 7.782 8.051 -0.269 19185 4700 1 14 . 1 1 52 52 ALA N N 52 122.550 122.550 121.142 1.408 19185 4701 1 14 . 1 1 52 52 ALA HA H 52 4.333 4.333 3.897 0.436 19185 4702 1 14 . 1 1 52 52 ALA C C 52 177.529 177.529 177.526 0.003 19185 4703 1 14 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.097 -1.147 19185 4704 1 14 . 1 1 52 52 ALA CB C 52 19.334 19.334 16.527 2.807 19185 4705 1 14 . 1 1 52 52 ALA H H 52 7.731 7.731 7.819 -0.088 19185 4706 1 14 . 1 1 53 53 ASP N N 53 118.118 118.118 118.438 -0.320 19185 4707 1 14 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.613 0.051 19185 4708 1 14 . 1 1 53 53 ASP C C 53 175.686 175.686 175.859 -0.173 19185 4709 1 14 . 1 1 53 53 ASP CA C 53 53.861 53.861 53.493 0.368 19185 4710 1 14 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.712 -1.594 19185 4711 1 14 . 1 1 53 53 ASP H H 53 8.230 8.230 8.303 -0.073 19185 4712 1 14 . 1 1 54 54 ASP N N 54 119.502 119.502 118.927 0.575 19185 4713 1 14 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.379 0.285 19185 4714 1 14 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.658 -0.797 19185 4715 1 14 . 1 1 54 54 ASP CB C 54 39.888 39.888 40.394 -0.506 19185 4716 1 14 . 1 1 54 54 ASP H H 54 8.217 8.217 8.395 -0.178 19185 4717 1 14 . 1 1 55 55 GLN N N 55 119.498 119.498 117.674 1.824 19185 4718 1 14 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.261 0.062 19185 4719 1 14 . 1 1 55 55 GLN C C 55 175.712 175.712 175.649 0.063 19185 4720 1 14 . 1 1 55 55 GLN CA C 55 55.812 55.812 55.866 -0.054 19185 4721 1 14 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.479 0.879 19185 4722 1 14 . 1 1 55 55 GLN H H 55 8.160 8.160 8.382 -0.222 19185 4723 1 14 . 1 1 56 56 THR N N 56 114.937 114.937 114.903 0.034 19185 4724 1 14 . 1 1 56 56 THR HA H 56 4.217 4.217 3.928 0.289 19185 4725 1 14 . 1 1 56 56 THR C C 56 173.642 173.642 174.380 -0.738 19185 4726 1 14 . 1 1 56 56 THR CA C 56 61.962 61.962 64.249 -2.287 19185 4727 1 14 . 1 1 56 56 THR CB C 56 69.556 69.556 69.624 -0.068 19185 4728 1 14 . 1 1 56 56 THR H H 56 7.999 7.999 7.683 0.316 19185 4729 1 14 . 1 1 57 57 TYR N N 57 122.914 122.914 120.394 2.520 19185 4730 1 14 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.834 0.003 19185 4731 1 14 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.496 -0.057 19185 4732 1 14 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.903 -1.635 19185 4733 1 14 . 1 1 57 57 TYR H H 57 8.113 8.113 7.786 0.327 19185 4734 1 14 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.437 0.387 19185 4735 1 14 . 1 1 58 58 PRO CA C 58 62.976 62.976 62.238 0.738 19185 4736 1 14 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.853 -1.065 19185 4737 1 14 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.257 0.225 19185 4738 1 14 . 1 1 59 59 PRO C C 59 176.873 176.873 177.153 -0.280 19185 4739 1 14 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.925 -1.014 19185 4740 1 14 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.222 0.769 19185 4741 1 14 . 1 1 60 60 GLU N N 60 120.610 120.610 123.496 -2.886 19185 4742 1 14 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.045 0.328 19185 4743 1 14 . 1 1 60 60 GLU C C 60 175.459 175.459 176.540 -1.081 19185 4744 1 14 . 1 1 60 60 GLU CA C 60 55.988 55.988 58.110 -2.122 19185 4745 1 14 . 1 1 60 60 GLU CB C 60 29.662 29.662 30.081 -0.419 19185 4746 1 14 . 1 1 60 60 GLU H H 60 8.410 8.410 9.004 -0.594 19185 4747 1 15 . 1 1 2 2 THR N N 2 112.540 112.540 119.102 -6.562 19185 4748 1 15 . 1 1 2 2 THR HA H 2 4.713 4.713 4.176 0.537 19185 4749 1 15 . 1 1 2 2 THR C C 2 174.853 174.853 175.430 -0.577 19185 4750 1 15 . 1 1 2 2 THR CA C 2 59.734 59.734 62.705 -2.971 19185 4751 1 15 . 1 1 2 2 THR CB C 2 71.378 71.378 69.835 1.543 19185 4752 1 15 . 1 1 2 2 THR H H 2 8.189 8.189 7.553 0.636 19185 4753 1 15 . 1 1 3 3 LEU N N 3 121.600 121.600 124.987 -3.387 19185 4754 1 15 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.060 0.041 19185 4755 1 15 . 1 1 3 3 LEU C C 3 178.488 178.488 177.918 0.570 19185 4756 1 15 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.665 0.488 19185 4757 1 15 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.590 -0.147 19185 4758 1 15 . 1 1 3 3 LEU H H 3 8.997 8.997 8.659 0.338 19185 4759 1 15 . 1 1 4 4 ILE N N 4 116.394 116.394 117.641 -1.247 19185 4760 1 15 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.737 0.061 19185 4761 1 15 . 1 1 4 4 ILE C C 4 176.847 176.847 178.509 -1.662 19185 4762 1 15 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.126 -0.343 19185 4763 1 15 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.530 0.547 19185 4764 1 15 . 1 1 4 4 ILE H H 4 8.173 8.173 8.057 0.116 19185 4765 1 15 . 1 1 5 5 GLU N N 5 118.842 118.842 120.018 -1.176 19185 4766 1 15 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.012 -0.239 19185 4767 1 15 . 1 1 5 5 GLU C C 5 177.554 177.554 179.374 -1.820 19185 4768 1 15 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.367 0.231 19185 4769 1 15 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.190 -0.338 19185 4770 1 15 . 1 1 5 5 GLU H H 5 7.394 7.394 7.462 -0.068 19185 4771 1 15 . 1 1 6 6 LEU N N 6 117.867 117.867 119.513 -1.646 19185 4772 1 15 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.066 -0.150 19185 4773 1 15 . 1 1 6 6 LEU C C 6 177.832 177.832 179.143 -1.311 19185 4774 1 15 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.445 0.568 19185 4775 1 15 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.658 -0.048 19185 4776 1 15 . 1 1 6 6 LEU H H 6 7.885 7.885 7.797 0.088 19185 4777 1 15 . 1 1 7 7 LEU N N 7 117.636 117.636 120.767 -3.131 19185 4778 1 15 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.064 -0.174 19185 4779 1 15 . 1 1 7 7 LEU C C 7 178.135 178.135 178.629 -0.494 19185 4780 1 15 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.838 0.074 19185 4781 1 15 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.803 -0.337 19185 4782 1 15 . 1 1 7 7 LEU H H 7 8.328 8.328 7.898 0.430 19185 4783 1 15 . 1 1 8 8 ILE N N 8 117.838 117.838 119.688 -1.850 19185 4784 1 15 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.632 -0.063 19185 4785 1 15 . 1 1 8 8 ILE C C 8 177.150 177.150 177.724 -0.574 19185 4786 1 15 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.812 -0.610 19185 4787 1 15 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.725 -0.510 19185 4788 1 15 . 1 1 8 8 ILE H H 8 8.054 8.054 7.800 0.254 19185 4789 1 15 . 1 1 9 9 VAL N N 9 118.866 118.866 119.863 -0.997 19185 4790 1 15 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.696 -0.214 19185 4791 1 15 . 1 1 9 9 VAL C C 9 177.352 177.352 177.601 -0.249 19185 4792 1 15 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.452 1.180 19185 4793 1 15 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.805 -0.523 19185 4794 1 15 . 1 1 9 9 VAL H H 9 8.026 8.026 7.751 0.275 19185 4795 1 15 . 1 1 10 10 VAL N N 10 118.095 118.095 119.560 -1.465 19185 4796 1 15 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.627 -0.184 19185 4797 1 15 . 1 1 10 10 VAL C C 10 176.948 176.948 177.624 -0.676 19185 4798 1 15 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.570 0.564 19185 4799 1 15 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.227 -0.249 19185 4800 1 15 . 1 1 10 10 VAL H H 10 8.399 8.399 7.678 0.721 19185 4801 1 15 . 1 1 11 11 ALA N N 11 121.128 121.128 122.800 -1.672 19185 4802 1 15 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.061 -0.140 19185 4803 1 15 . 1 1 11 11 ALA C C 11 178.816 178.816 179.547 -0.731 19185 4804 1 15 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.232 0.108 19185 4805 1 15 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.234 -0.566 19185 4806 1 15 . 1 1 11 11 ALA H H 11 8.327 8.327 7.614 0.713 19185 4807 1 15 . 1 1 12 12 ILE N N 12 116.336 116.336 115.709 0.627 19185 4808 1 15 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.622 -0.060 19185 4809 1 15 . 1 1 12 12 ILE C C 12 177.403 177.403 177.982 -0.579 19185 4810 1 15 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.987 0.316 19185 4811 1 15 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.692 -0.335 19185 4812 1 15 . 1 1 12 12 ILE H H 12 8.275 8.275 8.142 0.133 19185 4813 1 15 . 1 1 13 13 ILE N N 13 118.949 118.949 119.968 -1.019 19185 4814 1 15 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.793 -0.245 19185 4815 1 15 . 1 1 13 13 ILE C C 13 177.352 177.352 178.262 -0.910 19185 4816 1 15 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.700 0.710 19185 4817 1 15 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.183 -0.411 19185 4818 1 15 . 1 1 13 13 ILE H H 13 8.313 8.313 7.711 0.602 19185 4819 1 15 . 1 1 14 14 GLY N N 14 106.566 106.566 109.222 -2.656 19185 4820 1 15 . 1 1 14 14 GLY C C 14 174.576 174.576 176.191 -1.615 19185 4821 1 15 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.304 0.205 19185 4822 1 15 . 1 1 14 14 GLY H H 14 8.656 8.656 7.917 0.739 19185 4823 1 15 . 1 1 15 15 ILE N N 15 121.111 121.111 123.171 -2.060 19185 4824 1 15 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.959 -0.333 19185 4825 1 15 . 1 1 15 15 ILE C C 15 177.226 177.226 177.467 -0.241 19185 4826 1 15 . 1 1 15 15 ILE CA C 15 65.302 65.302 62.874 2.428 19185 4827 1 15 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.970 -0.230 19185 4828 1 15 . 1 1 15 15 ILE H H 15 8.310 8.310 7.549 0.761 19185 4829 1 15 . 1 1 16 16 LEU N N 16 117.956 117.956 120.158 -2.202 19185 4830 1 15 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.836 0.130 19185 4831 1 15 . 1 1 16 16 LEU C C 16 178.665 178.665 179.191 -0.526 19185 4832 1 15 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.269 -0.560 19185 4833 1 15 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.095 0.405 19185 4834 1 15 . 1 1 16 16 LEU H H 16 8.250 8.250 8.027 0.223 19185 4835 1 15 . 1 1 17 17 ALA N N 17 119.727 119.727 120.520 -0.793 19185 4836 1 15 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.093 -0.177 19185 4837 1 15 . 1 1 17 17 ALA C C 17 178.160 178.160 179.157 -0.997 19185 4838 1 15 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.803 0.256 19185 4839 1 15 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.100 -0.247 19185 4840 1 15 . 1 1 17 17 ALA H H 17 8.640 8.640 8.200 0.440 19185 4841 1 15 . 1 1 18 18 ALA N N 18 117.791 117.791 121.601 -3.810 19185 4842 1 15 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.065 -0.025 19185 4843 1 15 . 1 1 18 18 ALA C C 18 178.841 178.841 179.141 -0.300 19185 4844 1 15 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.898 -0.452 19185 4845 1 15 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.582 -0.413 19185 4846 1 15 . 1 1 18 18 ALA H H 18 7.983 7.983 7.747 0.236 19185 4847 1 15 . 1 1 19 19 ILE N N 19 112.844 112.844 114.216 -1.372 19185 4848 1 15 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.193 -0.205 19185 4849 1 15 . 1 1 19 19 ILE C C 19 176.696 176.696 177.545 -0.849 19185 4850 1 15 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.800 0.224 19185 4851 1 15 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.711 0.844 19185 4852 1 15 . 1 1 19 19 ILE H H 19 7.701 7.701 7.800 -0.099 19185 4853 1 15 . 1 1 20 20 ALA N N 20 120.774 120.774 123.873 -3.099 19185 4854 1 15 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.065 0.206 19185 4855 1 15 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.111 -1.560 19185 4856 1 15 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.181 1.702 19185 4857 1 15 . 1 1 20 20 ALA H H 20 8.086 8.086 7.454 0.632 19185 4858 1 15 . 1 1 21 21 ILE N N 21 117.619 117.619 118.740 -1.121 19185 4859 1 15 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.942 0.282 19185 4860 1 15 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.144 -3.518 19185 4861 1 15 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.582 1.252 19185 4862 1 15 . 1 1 21 21 ILE H H 21 8.056 8.056 8.301 -0.245 19185 4863 1 15 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.260 0.124 19185 4864 1 15 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.045 -0.836 19185 4865 1 15 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.087 0.441 19185 4866 1 15 . 1 1 23 23 GLN N N 23 115.494 115.494 118.411 -2.917 19185 4867 1 15 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.137 0.063 19185 4868 1 15 . 1 1 23 23 GLN C C 23 176.898 176.898 178.382 -1.484 19185 4869 1 15 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.898 -1.472 19185 4870 1 15 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.697 -0.660 19185 4871 1 15 . 1 1 23 23 GLN H H 23 8.123 8.123 7.977 0.146 19185 4872 1 15 . 1 1 24 24 PHE N N 24 118.541 118.541 119.462 -0.921 19185 4873 1 15 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.595 0.077 19185 4874 1 15 . 1 1 24 24 PHE C C 24 176.494 176.494 177.004 -0.510 19185 4875 1 15 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.525 -1.208 19185 4876 1 15 . 1 1 24 24 PHE CB C 24 38.912 38.912 40.215 -1.303 19185 4877 1 15 . 1 1 24 24 PHE H H 24 8.068 8.068 8.235 -0.167 19185 4878 1 15 . 1 1 25 25 SER N N 25 115.228 115.228 116.647 -1.419 19185 4879 1 15 . 1 1 25 25 SER HA H 25 4.278 4.278 3.968 0.310 19185 4880 1 15 . 1 1 25 25 SER C C 25 175.308 175.308 176.689 -1.381 19185 4881 1 15 . 1 1 25 25 SER CA C 25 60.288 60.288 62.064 -1.776 19185 4882 1 15 . 1 1 25 25 SER CB C 25 63.278 63.278 63.254 0.024 19185 4883 1 15 . 1 1 25 25 SER H H 25 8.081 8.081 8.497 -0.416 19185 4884 1 15 . 1 1 26 26 ALA N N 26 123.792 123.792 122.656 1.136 19185 4885 1 15 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.118 0.078 19185 4886 1 15 . 1 1 26 26 ALA C C 26 178.387 178.387 179.271 -0.884 19185 4887 1 15 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.695 -1.046 19185 4888 1 15 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.090 0.378 19185 4889 1 15 . 1 1 26 26 ALA H H 26 8.151 8.151 8.010 0.141 19185 4890 1 15 . 1 1 27 27 TYR N N 27 116.956 116.956 119.947 -2.991 19185 4891 1 15 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.134 0.246 19185 4892 1 15 . 1 1 27 27 TYR C C 27 176.090 176.090 177.565 -1.475 19185 4893 1 15 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.708 -2.747 19185 4894 1 15 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.559 -0.189 19185 4895 1 15 . 1 1 27 27 TYR H H 27 7.830 7.830 7.466 0.364 19185 4896 1 15 . 1 1 28 28 ARG N N 28 119.962 119.962 117.987 1.975 19185 4897 1 15 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.928 0.206 19185 4898 1 15 . 1 1 28 28 ARG C C 28 176.595 176.595 178.786 -2.191 19185 4899 1 15 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.977 -1.740 19185 4900 1 15 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.974 0.498 19185 4901 1 15 . 1 1 28 28 ARG H H 28 7.814 7.814 7.820 -0.006 19185 4902 1 15 . 1 1 29 29 VAL N N 29 118.483 118.483 120.456 -1.973 19185 4903 1 15 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.718 0.248 19185 4904 1 15 . 1 1 29 29 VAL C C 29 176.545 176.545 177.378 -0.833 19185 4905 1 15 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.354 -2.897 19185 4906 1 15 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.416 0.800 19185 4907 1 15 . 1 1 29 29 VAL H H 29 7.819 7.819 8.008 -0.189 19185 4908 1 15 . 1 1 30 30 LYS N N 30 122.256 122.256 118.548 3.708 19185 4909 1 15 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.136 0.063 19185 4910 1 15 . 1 1 30 30 LYS CA C 30 57.014 57.014 58.867 -1.853 19185 4911 1 15 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.625 1.012 19185 4912 1 15 . 1 1 30 30 LYS H H 30 7.962 7.962 7.905 0.057 19185 4913 1 15 . 1 1 31 31 ALA N N 31 122.625 122.625 123.167 -0.542 19185 4914 1 15 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.003 0.205 19185 4915 1 15 . 1 1 31 31 ALA C C 31 177.680 177.680 178.706 -1.026 19185 4916 1 15 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.623 -1.774 19185 4917 1 15 . 1 1 31 31 ALA CB C 31 19.030 19.030 18.005 1.025 19185 4918 1 15 . 1 1 31 31 ALA H H 31 8.053 8.053 7.796 0.257 19185 4919 1 15 . 1 1 32 32 TYR N N 32 118.444 118.444 118.576 -0.132 19185 4920 1 15 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.306 0.142 19185 4921 1 15 . 1 1 32 32 TYR C C 32 175.686 175.686 176.979 -1.293 19185 4922 1 15 . 1 1 32 32 TYR CA C 32 58.576 58.576 60.223 -1.647 19185 4923 1 15 . 1 1 32 32 TYR CB C 32 38.471 38.471 39.267 -0.796 19185 4924 1 15 . 1 1 32 32 TYR H H 32 8.016 8.016 7.711 0.305 19185 4925 1 15 . 1 1 33 33 ASN N N 33 119.421 119.421 117.668 1.753 19185 4926 1 15 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.484 0.169 19185 4927 1 15 . 1 1 33 33 ASN C C 33 175.510 175.510 176.451 -0.941 19185 4928 1 15 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.164 -2.606 19185 4929 1 15 . 1 1 33 33 ASN CB C 33 38.791 38.791 39.407 -0.617 19185 4930 1 15 . 1 1 33 33 ASN H H 33 8.174 8.174 8.153 0.021 19185 4931 1 15 . 1 1 34 34 SER N N 34 116.151 116.151 116.243 -0.092 19185 4932 1 15 . 1 1 34 34 SER HA H 34 4.359 4.359 4.342 0.017 19185 4933 1 15 . 1 1 34 34 SER C C 34 174.727 174.727 176.290 -1.563 19185 4934 1 15 . 1 1 34 34 SER CA C 34 59.127 59.127 61.361 -2.234 19185 4935 1 15 . 1 1 34 34 SER CB C 34 63.582 63.582 62.820 0.762 19185 4936 1 15 . 1 1 34 34 SER H H 34 8.143 8.143 8.036 0.107 19185 4937 1 15 . 1 1 35 35 ALA N N 35 125.119 125.119 123.734 1.385 19185 4938 1 15 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.170 0.167 19185 4939 1 15 . 1 1 35 35 ALA C C 35 177.807 177.807 179.161 -1.354 19185 4940 1 15 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.734 -1.683 19185 4941 1 15 . 1 1 35 35 ALA CB C 35 18.962 18.962 17.936 1.026 19185 4942 1 15 . 1 1 35 35 ALA H H 35 8.204 8.204 7.544 0.660 19185 4943 1 15 . 1 1 36 36 ALA N N 36 121.508 121.508 121.393 0.115 19185 4944 1 15 . 1 1 36 36 ALA HA H 36 4.290 4.290 4.052 0.238 19185 4945 1 15 . 1 1 36 36 ALA C C 36 178.059 178.059 179.527 -1.468 19185 4946 1 15 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.469 -1.519 19185 4947 1 15 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.122 0.908 19185 4948 1 15 . 1 1 36 36 ALA H H 36 8.134 8.134 7.763 0.371 19185 4949 1 15 . 1 1 37 37 SER N N 37 113.501 113.501 114.037 -0.536 19185 4950 1 15 . 1 1 37 37 SER HA H 37 4.365 4.365 4.060 0.305 19185 4951 1 15 . 1 1 37 37 SER C C 37 175.384 175.384 176.652 -1.268 19185 4952 1 15 . 1 1 37 37 SER CA C 37 59.127 59.127 61.975 -2.848 19185 4953 1 15 . 1 1 37 37 SER CB C 37 63.379 63.379 62.846 0.533 19185 4954 1 15 . 1 1 37 37 SER H H 37 8.071 8.071 7.821 0.250 19185 4955 1 15 . 1 1 38 38 SER N N 38 117.437 117.437 117.113 0.324 19185 4956 1 15 . 1 1 38 38 SER HA H 38 4.371 4.371 4.172 0.199 19185 4957 1 15 . 1 1 38 38 SER C C 38 174.828 174.828 176.405 -1.577 19185 4958 1 15 . 1 1 38 38 SER CA C 38 59.485 59.485 61.139 -1.654 19185 4959 1 15 . 1 1 38 38 SER CB C 38 63.379 63.379 62.813 0.566 19185 4960 1 15 . 1 1 38 38 SER H H 38 8.170 8.170 7.736 0.434 19185 4961 1 15 . 1 1 39 39 ASP N N 39 121.556 121.556 123.096 -1.540 19185 4962 1 15 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.372 0.224 19185 4963 1 15 . 1 1 39 39 ASP C C 39 177.226 177.226 178.610 -1.384 19185 4964 1 15 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.588 -2.397 19185 4965 1 15 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.705 -0.310 19185 4966 1 15 . 1 1 39 39 ASP H H 39 8.216 8.216 8.171 0.045 19185 4967 1 15 . 1 1 40 40 LEU N N 40 121.423 121.423 119.413 2.010 19185 4968 1 15 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.008 0.174 19185 4969 1 15 . 1 1 40 40 LEU C C 40 178.109 178.109 179.145 -1.036 19185 4970 1 15 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.373 -0.672 19185 4971 1 15 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.697 -0.189 19185 4972 1 15 . 1 1 40 40 LEU H H 40 8.265 8.265 8.068 0.197 19185 4973 1 15 . 1 1 41 41 ARG N N 41 119.425 119.425 119.737 -0.312 19185 4974 1 15 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.959 0.101 19185 4975 1 15 . 1 1 41 41 ARG C C 41 178.160 178.160 178.301 -0.141 19185 4976 1 15 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.627 -0.701 19185 4977 1 15 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.023 -0.260 19185 4978 1 15 . 1 1 41 41 ARG H H 41 8.109 8.109 8.179 -0.070 19185 4979 1 15 . 1 1 42 42 ASN N N 42 117.770 117.770 118.361 -0.591 19185 4980 1 15 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.508 0.115 19185 4981 1 15 . 1 1 42 42 ASN C C 42 177.049 177.049 178.266 -1.217 19185 4982 1 15 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.865 -1.194 19185 4983 1 15 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.249 -0.284 19185 4984 1 15 . 1 1 42 42 ASN H H 42 8.239 8.239 8.081 0.158 19185 4985 1 15 . 1 1 43 43 LEU N N 43 122.159 122.159 119.994 2.165 19185 4986 1 15 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.138 0.020 19185 4987 1 15 . 1 1 43 43 LEU C C 43 177.504 177.504 178.584 -1.080 19185 4988 1 15 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.385 0.122 19185 4989 1 15 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.853 -0.114 19185 4990 1 15 . 1 1 43 43 LEU H H 43 8.048 8.048 8.291 -0.243 19185 4991 1 15 . 1 1 44 44 LYS N N 44 119.015 119.015 119.881 -0.866 19185 4992 1 15 . 1 1 44 44 LYS HA H 44 3.896 3.896 3.984 -0.088 19185 4993 1 15 . 1 1 44 44 LYS C C 44 178.059 178.059 178.827 -0.768 19185 4994 1 15 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.072 1.067 19185 4995 1 15 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.897 0.499 19185 4996 1 15 . 1 1 44 44 LYS H H 44 8.212 8.212 7.663 0.549 19185 4997 1 15 . 1 1 45 45 THR N N 45 113.770 113.770 114.504 -0.734 19185 4998 1 15 . 1 1 45 45 THR HA H 45 4.032 4.032 4.097 -0.065 19185 4999 1 15 . 1 1 45 45 THR C C 45 176.469 176.469 176.221 0.248 19185 5000 1 15 . 1 1 45 45 THR CA C 45 65.303 65.303 65.703 -0.399 19185 5001 1 15 . 1 1 45 45 THR CB C 45 68.645 68.645 68.573 0.072 19185 5002 1 15 . 1 1 45 45 THR H H 45 8.080 8.080 8.144 -0.064 19185 5003 1 15 . 1 1 46 46 ALA N N 46 124.926 124.926 123.856 1.070 19185 5004 1 15 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.067 0.106 19185 5005 1 15 . 1 1 46 46 ALA C C 46 179.977 179.977 179.373 0.604 19185 5006 1 15 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.920 -0.040 19185 5007 1 15 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.259 -0.031 19185 5008 1 15 . 1 1 46 46 ALA H H 46 8.048 8.048 7.581 0.467 19185 5009 1 15 . 1 1 47 47 LEU N N 47 118.030 118.030 119.510 -1.480 19185 5010 1 15 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.886 0.202 19185 5011 1 15 . 1 1 47 47 LEU C C 47 177.832 177.832 179.077 -1.245 19185 5012 1 15 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.792 -0.404 19185 5013 1 15 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.397 0.415 19185 5014 1 15 . 1 1 47 47 LEU H H 47 8.257 8.257 7.669 0.588 19185 5015 1 15 . 1 1 48 48 GLU N N 48 117.324 117.324 117.497 -0.173 19185 5016 1 15 . 1 1 48 48 GLU HA H 48 4.053 4.053 3.910 0.143 19185 5017 1 15 . 1 1 48 48 GLU C C 48 178.690 178.690 179.511 -0.821 19185 5018 1 15 . 1 1 48 48 GLU CA C 48 58.823 58.823 58.542 0.281 19185 5019 1 15 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.702 -0.053 19185 5020 1 15 . 1 1 48 48 GLU H H 48 8.282 8.282 8.175 0.107 19185 5021 1 15 . 1 1 49 49 SER N N 49 114.057 114.057 115.903 -1.846 19185 5022 1 15 . 1 1 49 49 SER HA H 49 4.330 4.330 4.207 0.123 19185 5023 1 15 . 1 1 49 49 SER C C 49 175.283 175.283 176.105 -0.822 19185 5024 1 15 . 1 1 49 49 SER CA C 49 60.589 60.589 61.186 -0.597 19185 5025 1 15 . 1 1 49 49 SER CB C 49 63.076 63.076 62.715 0.361 19185 5026 1 15 . 1 1 49 49 SER H H 49 8.059 8.059 8.124 -0.065 19185 5027 1 15 . 1 1 50 50 ALA N N 50 123.125 123.125 124.642 -1.517 19185 5028 1 15 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.390 -0.240 19185 5029 1 15 . 1 1 50 50 ALA C C 50 178.034 178.034 180.537 -2.503 19185 5030 1 15 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.918 -1.158 19185 5031 1 15 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.414 0.110 19185 5032 1 15 . 1 1 50 50 ALA H H 50 7.776 7.776 7.913 -0.137 19185 5033 1 15 . 1 1 51 51 PHE N N 51 114.586 114.586 116.498 -1.912 19185 5034 1 15 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.334 0.256 19185 5035 1 15 . 1 1 51 51 PHE C C 51 175.560 175.560 177.308 -1.748 19185 5036 1 15 . 1 1 51 51 PHE CA C 51 57.941 57.941 60.006 -2.065 19185 5037 1 15 . 1 1 51 51 PHE CB C 51 39.306 39.306 38.339 0.967 19185 5038 1 15 . 1 1 51 51 PHE H H 51 7.782 7.782 8.634 -0.852 19185 5039 1 15 . 1 1 52 52 ALA N N 52 122.550 122.550 122.188 0.362 19185 5040 1 15 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.075 0.258 19185 5041 1 15 . 1 1 52 52 ALA C C 52 177.529 177.529 179.050 -1.521 19185 5042 1 15 . 1 1 52 52 ALA CA C 52 52.950 52.950 55.238 -2.288 19185 5043 1 15 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.514 0.820 19185 5044 1 15 . 1 1 52 52 ALA H H 52 7.731 7.731 7.765 -0.034 19185 5045 1 15 . 1 1 53 53 ASP N N 53 118.118 118.118 116.863 1.255 19185 5046 1 15 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.469 0.195 19185 5047 1 15 . 1 1 53 53 ASP C C 53 175.686 175.686 177.788 -2.102 19185 5048 1 15 . 1 1 53 53 ASP CA C 53 53.861 53.861 56.194 -2.333 19185 5049 1 15 . 1 1 53 53 ASP CB C 53 40.118 40.118 40.761 -0.643 19185 5050 1 15 . 1 1 53 53 ASP H H 53 8.230 8.230 8.356 -0.126 19185 5051 1 15 . 1 1 54 54 ASP N N 54 119.502 119.502 120.473 -0.971 19185 5052 1 15 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.579 0.085 19185 5053 1 15 . 1 1 54 54 ASP CA C 54 53.861 53.861 56.591 -2.730 19185 5054 1 15 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.910 -2.022 19185 5055 1 15 . 1 1 54 54 ASP H H 54 8.217 8.217 7.839 0.378 19185 5056 1 15 . 1 1 55 55 GLN N N 55 119.498 119.498 118.096 1.402 19185 5057 1 15 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.289 0.034 19185 5058 1 15 . 1 1 55 55 GLN C C 55 175.712 175.712 176.102 -0.390 19185 5059 1 15 . 1 1 55 55 GLN CA C 55 55.812 55.812 56.791 -0.979 19185 5060 1 15 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.714 0.644 19185 5061 1 15 . 1 1 55 55 GLN H H 55 8.160 8.160 8.046 0.114 19185 5062 1 15 . 1 1 56 56 THR N N 56 114.937 114.937 109.720 5.217 19185 5063 1 15 . 1 1 56 56 THR HA H 56 4.217 4.217 4.078 0.139 19185 5064 1 15 . 1 1 56 56 THR C C 56 173.642 173.642 173.804 -0.162 19185 5065 1 15 . 1 1 56 56 THR CA C 56 61.962 61.962 62.994 -1.032 19185 5066 1 15 . 1 1 56 56 THR CB C 56 69.556 69.556 66.911 2.645 19185 5067 1 15 . 1 1 56 56 THR H H 56 7.999 7.999 7.894 0.105 19185 5068 1 15 . 1 1 57 57 TYR N N 57 122.914 122.914 124.818 -1.904 19185 5069 1 15 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.870 -0.033 19185 5070 1 15 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.206 1.233 19185 5071 1 15 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.023 -0.755 19185 5072 1 15 . 1 1 57 57 TYR H H 57 8.113 8.113 8.130 -0.017 19185 5073 1 15 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.673 0.151 19185 5074 1 15 . 1 1 58 58 PRO CA C 58 62.976 62.976 60.452 2.524 19185 5075 1 15 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.761 -0.973 19185 5076 1 15 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.158 0.324 19185 5077 1 15 . 1 1 59 59 PRO C C 59 176.873 176.873 176.360 0.513 19185 5078 1 15 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.894 0.017 19185 5079 1 15 . 1 1 59 59 PRO CB C 59 31.991 31.991 30.949 1.042 19185 5080 1 15 . 1 1 60 60 GLU N N 60 120.610 120.610 119.130 1.480 19185 5081 1 15 . 1 1 60 60 GLU HA H 60 4.373 4.373 3.891 0.482 19185 5082 1 15 . 1 1 60 60 GLU C C 60 175.459 175.459 175.438 0.021 19185 5083 1 15 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.501 -1.513 19185 5084 1 15 . 1 1 60 60 GLU CB C 60 29.662 29.662 28.455 1.207 19185 5085 1 15 . 1 1 60 60 GLU H H 60 8.410 8.410 8.644 -0.234 19185 5086 1 16 . 1 1 2 2 THR N N 2 112.540 112.540 117.269 -4.729 19185 5087 1 16 . 1 1 2 2 THR HA H 2 4.713 4.713 4.835 -0.122 19185 5088 1 16 . 1 1 2 2 THR C C 2 174.853 174.853 175.568 -0.715 19185 5089 1 16 . 1 1 2 2 THR CA C 2 59.734 59.734 60.706 -0.972 19185 5090 1 16 . 1 1 2 2 THR CB C 2 71.378 71.378 70.055 1.323 19185 5091 1 16 . 1 1 2 2 THR H H 2 8.189 8.189 7.598 0.591 19185 5092 1 16 . 1 1 3 3 LEU N N 3 121.600 121.600 126.052 -4.452 19185 5093 1 16 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.275 -0.174 19185 5094 1 16 . 1 1 3 3 LEU C C 3 178.488 178.488 177.988 0.500 19185 5095 1 16 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.141 1.012 19185 5096 1 16 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.686 -0.243 19185 5097 1 16 . 1 1 3 3 LEU H H 3 8.997 8.997 8.910 0.087 19185 5098 1 16 . 1 1 4 4 ILE N N 4 116.394 116.394 120.911 -4.517 19185 5099 1 16 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.739 0.059 19185 5100 1 16 . 1 1 4 4 ILE C C 4 176.847 176.847 178.278 -1.431 19185 5101 1 16 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.316 -0.532 19185 5102 1 16 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.234 0.842 19185 5103 1 16 . 1 1 4 4 ILE H H 4 8.173 8.173 7.749 0.424 19185 5104 1 16 . 1 1 5 5 GLU N N 5 118.842 118.842 119.328 -0.486 19185 5105 1 16 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.108 -0.335 19185 5106 1 16 . 1 1 5 5 GLU C C 5 177.554 177.554 179.692 -2.138 19185 5107 1 16 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.166 0.432 19185 5108 1 16 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.888 -0.036 19185 5109 1 16 . 1 1 5 5 GLU H H 5 7.394 7.394 7.926 -0.532 19185 5110 1 16 . 1 1 6 6 LEU N N 6 117.867 117.867 120.709 -2.842 19185 5111 1 16 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.043 -0.127 19185 5112 1 16 . 1 1 6 6 LEU C C 6 177.832 177.832 179.188 -1.356 19185 5113 1 16 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.605 0.408 19185 5114 1 16 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.674 -0.064 19185 5115 1 16 . 1 1 6 6 LEU H H 6 7.885 7.885 7.767 0.118 19185 5116 1 16 . 1 1 7 7 LEU N N 7 117.636 117.636 120.794 -3.158 19185 5117 1 16 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.986 -0.096 19185 5118 1 16 . 1 1 7 7 LEU C C 7 178.135 178.135 179.142 -1.007 19185 5119 1 16 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.062 -0.150 19185 5120 1 16 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.297 0.170 19185 5121 1 16 . 1 1 7 7 LEU H H 7 8.328 8.328 7.855 0.473 19185 5122 1 16 . 1 1 8 8 ILE N N 8 117.838 117.838 119.034 -1.196 19185 5123 1 16 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.635 -0.066 19185 5124 1 16 . 1 1 8 8 ILE C C 8 177.150 177.150 178.186 -1.036 19185 5125 1 16 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.710 -0.508 19185 5126 1 16 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.826 -0.611 19185 5127 1 16 . 1 1 8 8 ILE H H 8 8.054 8.054 7.915 0.139 19185 5128 1 16 . 1 1 9 9 VAL N N 9 118.866 118.866 119.756 -0.890 19185 5129 1 16 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.676 -0.194 19185 5130 1 16 . 1 1 9 9 VAL C C 9 177.352 177.352 177.523 -0.171 19185 5131 1 16 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.467 1.165 19185 5132 1 16 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.841 -0.559 19185 5133 1 16 . 1 1 9 9 VAL H H 9 8.026 8.026 7.905 0.121 19185 5134 1 16 . 1 1 10 10 VAL N N 10 118.095 118.095 119.402 -1.307 19185 5135 1 16 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.555 -0.112 19185 5136 1 16 . 1 1 10 10 VAL C C 10 176.948 176.948 177.607 -0.659 19185 5137 1 16 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.642 0.492 19185 5138 1 16 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.388 -0.410 19185 5139 1 16 . 1 1 10 10 VAL H H 10 8.399 8.399 7.695 0.704 19185 5140 1 16 . 1 1 11 11 ALA N N 11 121.128 121.128 122.846 -1.718 19185 5141 1 16 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.056 -0.135 19185 5142 1 16 . 1 1 11 11 ALA C C 11 178.816 178.816 179.499 -0.683 19185 5143 1 16 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.360 -0.020 19185 5144 1 16 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.264 -0.596 19185 5145 1 16 . 1 1 11 11 ALA H H 11 8.327 8.327 7.822 0.505 19185 5146 1 16 . 1 1 12 12 ILE N N 12 116.336 116.336 115.380 0.956 19185 5147 1 16 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.693 -0.131 19185 5148 1 16 . 1 1 12 12 ILE C C 12 177.403 177.403 177.968 -0.565 19185 5149 1 16 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.852 0.452 19185 5150 1 16 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.764 -0.407 19185 5151 1 16 . 1 1 12 12 ILE H H 12 8.275 8.275 8.060 0.215 19185 5152 1 16 . 1 1 13 13 ILE N N 13 118.949 118.949 120.426 -1.477 19185 5153 1 16 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.723 -0.175 19185 5154 1 16 . 1 1 13 13 ILE C C 13 177.352 177.352 178.207 -0.855 19185 5155 1 16 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.975 0.435 19185 5156 1 16 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.174 -0.402 19185 5157 1 16 . 1 1 13 13 ILE H H 13 8.313 8.313 7.880 0.433 19185 5158 1 16 . 1 1 14 14 GLY N N 14 106.566 106.566 108.747 -2.181 19185 5159 1 16 . 1 1 14 14 GLY C C 14 174.576 174.576 175.964 -1.388 19185 5160 1 16 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.280 0.229 19185 5161 1 16 . 1 1 14 14 GLY H H 14 8.656 8.656 7.957 0.699 19185 5162 1 16 . 1 1 15 15 ILE N N 15 121.111 121.111 123.008 -1.897 19185 5163 1 16 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.721 -0.095 19185 5164 1 16 . 1 1 15 15 ILE C C 15 177.226 177.226 177.633 -0.407 19185 5165 1 16 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.826 0.476 19185 5166 1 16 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.999 -0.259 19185 5167 1 16 . 1 1 15 15 ILE H H 15 8.310 8.310 7.522 0.788 19185 5168 1 16 . 1 1 16 16 LEU N N 16 117.956 117.956 119.591 -1.635 19185 5169 1 16 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.906 0.060 19185 5170 1 16 . 1 1 16 16 LEU C C 16 178.665 178.665 179.164 -0.499 19185 5171 1 16 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.846 -0.137 19185 5172 1 16 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.128 0.372 19185 5173 1 16 . 1 1 16 16 LEU H H 16 8.250 8.250 7.758 0.492 19185 5174 1 16 . 1 1 17 17 ALA N N 17 119.727 119.727 121.344 -1.617 19185 5175 1 16 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.071 -0.155 19185 5176 1 16 . 1 1 17 17 ALA C C 17 178.160 178.160 179.205 -1.045 19185 5177 1 16 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.890 0.169 19185 5178 1 16 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.074 -0.221 19185 5179 1 16 . 1 1 17 17 ALA H H 17 8.640 8.640 8.214 0.426 19185 5180 1 16 . 1 1 18 18 ALA N N 18 117.791 117.791 121.220 -3.429 19185 5181 1 16 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.077 -0.037 19185 5182 1 16 . 1 1 18 18 ALA C C 18 178.841 178.841 179.029 -0.188 19185 5183 1 16 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.859 -0.413 19185 5184 1 16 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.607 -0.438 19185 5185 1 16 . 1 1 18 18 ALA H H 18 7.983 7.983 7.960 0.023 19185 5186 1 16 . 1 1 19 19 ILE N N 19 112.844 112.844 113.983 -1.139 19185 5187 1 16 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.236 -0.248 19185 5188 1 16 . 1 1 19 19 ILE C C 19 176.696 176.696 177.489 -0.793 19185 5189 1 16 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.531 0.493 19185 5190 1 16 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.766 0.789 19185 5191 1 16 . 1 1 19 19 ILE H H 19 7.701 7.701 7.718 -0.017 19185 5192 1 16 . 1 1 20 20 ALA N N 20 120.774 120.774 124.007 -3.233 19185 5193 1 16 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.067 0.204 19185 5194 1 16 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.145 -1.595 19185 5195 1 16 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.192 1.691 19185 5196 1 16 . 1 1 20 20 ALA H H 20 8.086 8.086 7.496 0.590 19185 5197 1 16 . 1 1 21 21 ILE N N 21 117.619 117.619 118.682 -1.063 19185 5198 1 16 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.955 0.269 19185 5199 1 16 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.097 -3.471 19185 5200 1 16 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.582 1.252 19185 5201 1 16 . 1 1 21 21 ILE H H 21 8.056 8.056 8.173 -0.117 19185 5202 1 16 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.232 0.152 19185 5203 1 16 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.083 -0.874 19185 5204 1 16 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.055 0.473 19185 5205 1 16 . 1 1 23 23 GLN N N 23 115.494 115.494 118.590 -3.096 19185 5206 1 16 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.099 0.101 19185 5207 1 16 . 1 1 23 23 GLN C C 23 176.898 176.898 178.603 -1.705 19185 5208 1 16 . 1 1 23 23 GLN CA C 23 57.426 57.426 59.042 -1.616 19185 5209 1 16 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.674 -0.636 19185 5210 1 16 . 1 1 23 23 GLN H H 23 8.123 8.123 7.982 0.141 19185 5211 1 16 . 1 1 24 24 PHE N N 24 118.541 118.541 119.880 -1.339 19185 5212 1 16 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.521 0.151 19185 5213 1 16 . 1 1 24 24 PHE C C 24 176.494 176.494 177.249 -0.755 19185 5214 1 16 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.863 -1.546 19185 5215 1 16 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.539 -0.627 19185 5216 1 16 . 1 1 24 24 PHE H H 24 8.068 8.068 8.256 -0.188 19185 5217 1 16 . 1 1 25 25 SER N N 25 115.228 115.228 116.779 -1.551 19185 5218 1 16 . 1 1 25 25 SER HA H 25 4.278 4.278 3.914 0.364 19185 5219 1 16 . 1 1 25 25 SER C C 25 175.308 175.308 176.616 -1.308 19185 5220 1 16 . 1 1 25 25 SER CA C 25 60.288 60.288 62.035 -1.747 19185 5221 1 16 . 1 1 25 25 SER CB C 25 63.278 63.278 63.150 0.128 19185 5222 1 16 . 1 1 25 25 SER H H 25 8.081 8.081 8.423 -0.342 19185 5223 1 16 . 1 1 26 26 ALA N N 26 123.792 123.792 122.252 1.540 19185 5224 1 16 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.133 0.063 19185 5225 1 16 . 1 1 26 26 ALA C C 26 178.387 178.387 179.444 -1.057 19185 5226 1 16 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.575 -0.926 19185 5227 1 16 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.198 0.270 19185 5228 1 16 . 1 1 26 26 ALA H H 26 8.151 8.151 8.017 0.134 19185 5229 1 16 . 1 1 27 27 TYR N N 27 116.956 116.956 120.417 -3.461 19185 5230 1 16 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.201 0.179 19185 5231 1 16 . 1 1 27 27 TYR C C 27 176.090 176.090 177.584 -1.494 19185 5232 1 16 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.014 -2.053 19185 5233 1 16 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.645 -0.275 19185 5234 1 16 . 1 1 27 27 TYR H H 27 7.830 7.830 7.682 0.148 19185 5235 1 16 . 1 1 28 28 ARG N N 28 119.962 119.962 117.708 2.254 19185 5236 1 16 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.820 0.314 19185 5237 1 16 . 1 1 28 28 ARG C C 28 176.595 176.595 178.745 -2.150 19185 5238 1 16 . 1 1 28 28 ARG CA C 28 57.237 57.237 57.711 -0.474 19185 5239 1 16 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.233 1.239 19185 5240 1 16 . 1 1 28 28 ARG H H 28 7.814 7.814 7.870 -0.056 19185 5241 1 16 . 1 1 29 29 VAL N N 29 118.483 118.483 120.657 -2.174 19185 5242 1 16 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.754 0.212 19185 5243 1 16 . 1 1 29 29 VAL C C 29 176.545 176.545 177.729 -1.184 19185 5244 1 16 . 1 1 29 29 VAL CA C 29 63.457 63.457 65.950 -2.493 19185 5245 1 16 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.022 1.194 19185 5246 1 16 . 1 1 29 29 VAL H H 29 7.819 7.819 8.045 -0.226 19185 5247 1 16 . 1 1 30 30 LYS N N 30 122.256 122.256 119.013 3.243 19185 5248 1 16 . 1 1 30 30 LYS HA H 30 4.199 4.199 3.993 0.206 19185 5249 1 16 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.248 -2.234 19185 5250 1 16 . 1 1 30 30 LYS CB C 30 32.637 32.637 32.003 0.634 19185 5251 1 16 . 1 1 30 30 LYS H H 30 7.962 7.962 7.859 0.103 19185 5252 1 16 . 1 1 31 31 ALA N N 31 122.625 122.625 122.068 0.557 19185 5253 1 16 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.992 0.216 19185 5254 1 16 . 1 1 31 31 ALA C C 31 177.680 177.680 179.508 -1.828 19185 5255 1 16 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.658 -1.809 19185 5256 1 16 . 1 1 31 31 ALA CB C 31 19.030 19.030 18.061 0.969 19185 5257 1 16 . 1 1 31 31 ALA H H 31 8.053 8.053 7.514 0.539 19185 5258 1 16 . 1 1 32 32 TYR N N 32 118.444 118.444 119.957 -1.513 19185 5259 1 16 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.053 0.395 19185 5260 1 16 . 1 1 32 32 TYR C C 32 175.686 175.686 177.745 -2.059 19185 5261 1 16 . 1 1 32 32 TYR CA C 32 58.576 58.576 62.099 -3.523 19185 5262 1 16 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.691 -0.220 19185 5263 1 16 . 1 1 32 32 TYR H H 32 8.016 8.016 7.707 0.309 19185 5264 1 16 . 1 1 33 33 ASN N N 33 119.421 119.421 116.828 2.593 19185 5265 1 16 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.278 0.375 19185 5266 1 16 . 1 1 33 33 ASN C C 33 175.510 175.510 177.899 -2.389 19185 5267 1 16 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.651 -3.093 19185 5268 1 16 . 1 1 33 33 ASN CB C 33 38.791 38.791 37.824 0.967 19185 5269 1 16 . 1 1 33 33 ASN H H 33 8.174 8.174 8.724 -0.550 19185 5270 1 16 . 1 1 34 34 SER N N 34 116.151 116.151 115.420 0.731 19185 5271 1 16 . 1 1 34 34 SER HA H 34 4.359 4.359 4.282 0.077 19185 5272 1 16 . 1 1 34 34 SER C C 34 174.727 174.727 175.810 -1.083 19185 5273 1 16 . 1 1 34 34 SER CA C 34 59.127 59.127 60.885 -1.758 19185 5274 1 16 . 1 1 34 34 SER CB C 34 63.582 63.582 62.806 0.777 19185 5275 1 16 . 1 1 34 34 SER H H 34 8.143 8.143 7.686 0.457 19185 5276 1 16 . 1 1 35 35 ALA N N 35 125.119 125.119 124.225 0.894 19185 5277 1 16 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.346 -0.009 19185 5278 1 16 . 1 1 35 35 ALA C C 35 177.807 177.807 179.509 -1.702 19185 5279 1 16 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.371 -1.320 19185 5280 1 16 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.302 0.660 19185 5281 1 16 . 1 1 35 35 ALA H H 35 8.204 8.204 7.506 0.698 19185 5282 1 16 . 1 1 36 36 ALA N N 36 121.508 121.508 121.553 -0.045 19185 5283 1 16 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.895 0.395 19185 5284 1 16 . 1 1 36 36 ALA C C 36 178.059 178.059 179.629 -1.570 19185 5285 1 16 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.933 -1.983 19185 5286 1 16 . 1 1 36 36 ALA CB C 36 19.030 19.030 18.027 1.003 19185 5287 1 16 . 1 1 36 36 ALA H H 36 8.134 8.134 8.015 0.119 19185 5288 1 16 . 1 1 37 37 SER N N 37 113.501 113.501 114.252 -0.751 19185 5289 1 16 . 1 1 37 37 SER HA H 37 4.365 4.365 4.066 0.299 19185 5290 1 16 . 1 1 37 37 SER C C 37 175.384 175.384 176.974 -1.590 19185 5291 1 16 . 1 1 37 37 SER CA C 37 59.127 59.127 62.505 -3.378 19185 5292 1 16 . 1 1 37 37 SER CB C 37 63.379 63.379 63.027 0.352 19185 5293 1 16 . 1 1 37 37 SER H H 37 8.071 8.071 8.182 -0.111 19185 5294 1 16 . 1 1 38 38 SER N N 38 117.437 117.437 116.323 1.114 19185 5295 1 16 . 1 1 38 38 SER HA H 38 4.371 4.371 4.270 0.101 19185 5296 1 16 . 1 1 38 38 SER C C 38 174.828 174.828 176.456 -1.628 19185 5297 1 16 . 1 1 38 38 SER CA C 38 59.485 59.485 61.236 -1.752 19185 5298 1 16 . 1 1 38 38 SER CB C 38 63.379 63.379 63.281 0.098 19185 5299 1 16 . 1 1 38 38 SER H H 38 8.170 8.170 8.176 -0.006 19185 5300 1 16 . 1 1 39 39 ASP N N 39 121.556 121.556 124.103 -2.547 19185 5301 1 16 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.386 0.210 19185 5302 1 16 . 1 1 39 39 ASP C C 39 177.226 177.226 178.143 -0.917 19185 5303 1 16 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.195 -2.004 19185 5304 1 16 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.900 -0.505 19185 5305 1 16 . 1 1 39 39 ASP H H 39 8.216 8.216 7.891 0.325 19185 5306 1 16 . 1 1 40 40 LEU N N 40 121.423 121.423 119.888 1.535 19185 5307 1 16 . 1 1 40 40 LEU HA H 40 4.182 4.182 3.974 0.208 19185 5308 1 16 . 1 1 40 40 LEU C C 40 178.109 178.109 179.244 -1.135 19185 5309 1 16 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.496 -0.794 19185 5310 1 16 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.810 -0.302 19185 5311 1 16 . 1 1 40 40 LEU H H 40 8.265 8.265 7.919 0.346 19185 5312 1 16 . 1 1 41 41 ARG N N 41 119.425 119.425 119.235 0.190 19185 5313 1 16 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.985 0.075 19185 5314 1 16 . 1 1 41 41 ARG C C 41 178.160 178.160 178.329 -0.169 19185 5315 1 16 . 1 1 41 41 ARG CA C 41 58.926 58.926 58.635 0.291 19185 5316 1 16 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.564 0.200 19185 5317 1 16 . 1 1 41 41 ARG H H 41 8.109 8.109 8.149 -0.040 19185 5318 1 16 . 1 1 42 42 ASN N N 42 117.770 117.770 118.172 -0.402 19185 5319 1 16 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.552 0.071 19185 5320 1 16 . 1 1 42 42 ASN C C 42 177.049 177.049 178.098 -1.049 19185 5321 1 16 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.805 -1.134 19185 5322 1 16 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.191 -0.226 19185 5323 1 16 . 1 1 42 42 ASN H H 42 8.239 8.239 7.920 0.319 19185 5324 1 16 . 1 1 43 43 LEU N N 43 122.159 122.159 120.285 1.874 19185 5325 1 16 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.051 0.107 19185 5326 1 16 . 1 1 43 43 LEU C C 43 177.504 177.504 178.677 -1.173 19185 5327 1 16 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.657 -0.150 19185 5328 1 16 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.780 -0.041 19185 5329 1 16 . 1 1 43 43 LEU H H 43 8.048 8.048 8.413 -0.365 19185 5330 1 16 . 1 1 44 44 LYS N N 44 119.015 119.015 119.410 -0.395 19185 5331 1 16 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.106 -0.210 19185 5332 1 16 . 1 1 44 44 LYS C C 44 178.059 178.059 179.034 -0.975 19185 5333 1 16 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.002 1.137 19185 5334 1 16 . 1 1 44 44 LYS CB C 44 32.396 32.396 31.878 0.518 19185 5335 1 16 . 1 1 44 44 LYS H H 44 8.212 8.212 7.740 0.472 19185 5336 1 16 . 1 1 45 45 THR N N 45 113.770 113.770 113.881 -0.111 19185 5337 1 16 . 1 1 45 45 THR HA H 45 4.032 4.032 4.183 -0.151 19185 5338 1 16 . 1 1 45 45 THR C C 45 176.469 176.469 175.906 0.563 19185 5339 1 16 . 1 1 45 45 THR CA C 45 65.303 65.303 64.909 0.395 19185 5340 1 16 . 1 1 45 45 THR CB C 45 68.645 68.645 68.806 -0.161 19185 5341 1 16 . 1 1 45 45 THR H H 45 8.080 8.080 7.886 0.194 19185 5342 1 16 . 1 1 46 46 ALA N N 46 124.926 124.926 123.890 1.036 19185 5343 1 16 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.256 -0.083 19185 5344 1 16 . 1 1 46 46 ALA C C 46 179.977 179.977 179.715 0.262 19185 5345 1 16 . 1 1 46 46 ALA CA C 46 54.880 54.880 54.576 0.304 19185 5346 1 16 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.591 -0.363 19185 5347 1 16 . 1 1 46 46 ALA H H 46 8.048 8.048 7.469 0.579 19185 5348 1 16 . 1 1 47 47 LEU N N 47 118.030 118.030 118.224 -0.194 19185 5349 1 16 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.980 0.108 19185 5350 1 16 . 1 1 47 47 LEU C C 47 177.832 177.832 179.496 -1.664 19185 5351 1 16 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.690 -0.302 19185 5352 1 16 . 1 1 47 47 LEU CB C 47 41.812 41.812 40.911 0.901 19185 5353 1 16 . 1 1 47 47 LEU H H 47 8.257 8.257 8.089 0.168 19185 5354 1 16 . 1 1 48 48 GLU N N 48 117.324 117.324 117.179 0.145 19185 5355 1 16 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.372 -0.319 19185 5356 1 16 . 1 1 48 48 GLU C C 48 178.690 178.690 179.226 -0.536 19185 5357 1 16 . 1 1 48 48 GLU CA C 48 58.823 58.823 58.068 0.755 19185 5358 1 16 . 1 1 48 48 GLU CB C 48 28.649 28.649 28.836 -0.187 19185 5359 1 16 . 1 1 48 48 GLU H H 48 8.282 8.282 7.866 0.416 19185 5360 1 16 . 1 1 49 49 SER N N 49 114.057 114.057 114.655 -0.598 19185 5361 1 16 . 1 1 49 49 SER HA H 49 4.330 4.330 4.142 0.188 19185 5362 1 16 . 1 1 49 49 SER C C 49 175.283 175.283 175.811 -0.528 19185 5363 1 16 . 1 1 49 49 SER CA C 49 60.589 60.589 61.246 -0.657 19185 5364 1 16 . 1 1 49 49 SER CB C 49 63.076 63.076 62.682 0.394 19185 5365 1 16 . 1 1 49 49 SER H H 49 8.059 8.059 8.146 -0.087 19185 5366 1 16 . 1 1 50 50 ALA N N 50 123.125 123.125 123.676 -0.551 19185 5367 1 16 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.065 0.085 19185 5368 1 16 . 1 1 50 50 ALA C C 50 178.034 178.034 179.731 -1.697 19185 5369 1 16 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.464 -0.704 19185 5370 1 16 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.088 0.436 19185 5371 1 16 . 1 1 50 50 ALA H H 50 7.776 7.776 7.193 0.583 19185 5372 1 16 . 1 1 51 51 PHE N N 51 114.586 114.586 116.943 -2.357 19185 5373 1 16 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.290 0.300 19185 5374 1 16 . 1 1 51 51 PHE C C 51 175.560 175.560 177.311 -1.751 19185 5375 1 16 . 1 1 51 51 PHE CA C 51 57.941 57.941 60.315 -2.374 19185 5376 1 16 . 1 1 51 51 PHE CB C 51 39.306 39.306 38.542 0.764 19185 5377 1 16 . 1 1 51 51 PHE H H 51 7.782 7.782 7.775 0.007 19185 5378 1 16 . 1 1 52 52 ALA N N 52 122.550 122.550 119.882 2.668 19185 5379 1 16 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.216 0.117 19185 5380 1 16 . 1 1 52 52 ALA C C 52 177.529 177.529 178.715 -1.186 19185 5381 1 16 . 1 1 52 52 ALA CA C 52 52.950 52.950 53.266 -0.316 19185 5382 1 16 . 1 1 52 52 ALA CB C 52 19.334 19.334 17.919 1.415 19185 5383 1 16 . 1 1 52 52 ALA H H 52 7.731 7.731 7.954 -0.223 19185 5384 1 16 . 1 1 53 53 ASP N N 53 118.118 118.118 119.181 -1.063 19185 5385 1 16 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.383 0.281 19185 5386 1 16 . 1 1 53 53 ASP C C 53 175.686 175.686 177.214 -1.528 19185 5387 1 16 . 1 1 53 53 ASP CA C 53 53.861 53.861 56.694 -2.833 19185 5388 1 16 . 1 1 53 53 ASP CB C 53 40.118 40.118 40.992 -0.875 19185 5389 1 16 . 1 1 53 53 ASP H H 53 8.230 8.230 7.845 0.385 19185 5390 1 16 . 1 1 54 54 ASP N N 54 119.502 119.502 119.367 0.135 19185 5391 1 16 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.518 0.146 19185 5392 1 16 . 1 1 54 54 ASP CA C 54 53.861 53.861 56.687 -2.826 19185 5393 1 16 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.584 -1.696 19185 5394 1 16 . 1 1 54 54 ASP H H 54 8.217 8.217 7.898 0.319 19185 5395 1 16 . 1 1 55 55 GLN N N 55 119.498 119.498 118.161 1.337 19185 5396 1 16 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.231 0.092 19185 5397 1 16 . 1 1 55 55 GLN C C 55 175.712 175.712 177.693 -1.981 19185 5398 1 16 . 1 1 55 55 GLN CA C 55 55.812 55.812 58.010 -2.198 19185 5399 1 16 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.281 0.077 19185 5400 1 16 . 1 1 55 55 GLN H H 55 8.160 8.160 7.921 0.239 19185 5401 1 16 . 1 1 56 56 THR N N 56 114.937 114.937 111.341 3.596 19185 5402 1 16 . 1 1 56 56 THR HA H 56 4.217 4.217 4.068 0.149 19185 5403 1 16 . 1 1 56 56 THR C C 56 173.642 173.642 173.977 -0.335 19185 5404 1 16 . 1 1 56 56 THR CA C 56 61.962 61.962 64.727 -2.764 19185 5405 1 16 . 1 1 56 56 THR CB C 56 69.556 69.556 67.390 2.166 19185 5406 1 16 . 1 1 56 56 THR H H 56 7.999 7.999 8.145 -0.146 19185 5407 1 16 . 1 1 57 57 TYR N N 57 122.914 122.914 125.456 -2.542 19185 5408 1 16 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.546 0.291 19185 5409 1 16 . 1 1 57 57 TYR CA C 57 55.439 55.439 56.471 -1.032 19185 5410 1 16 . 1 1 57 57 TYR CB C 57 38.268 38.268 39.308 -1.040 19185 5411 1 16 . 1 1 57 57 TYR H H 57 8.113 8.113 7.752 0.361 19185 5412 1 16 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.578 0.246 19185 5413 1 16 . 1 1 58 58 PRO CA C 58 62.976 62.976 60.054 2.922 19185 5414 1 16 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.838 -1.050 19185 5415 1 16 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.189 0.293 19185 5416 1 16 . 1 1 59 59 PRO C C 59 176.873 176.873 176.881 -0.008 19185 5417 1 16 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.176 -0.265 19185 5418 1 16 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.578 0.413 19185 5419 1 16 . 1 1 60 60 GLU N N 60 120.610 120.610 115.393 5.217 19185 5420 1 16 . 1 1 60 60 GLU HA H 60 4.373 4.373 3.903 0.470 19185 5421 1 16 . 1 1 60 60 GLU C C 60 175.459 175.459 175.772 -0.313 19185 5422 1 16 . 1 1 60 60 GLU CA C 60 55.988 55.988 58.422 -2.434 19185 5423 1 16 . 1 1 60 60 GLU CB C 60 29.662 29.662 28.951 0.711 19185 5424 1 16 . 1 1 60 60 GLU H H 60 8.410 8.410 8.179 0.231 19185 5425 1 17 . 1 1 2 2 THR N N 2 112.540 112.540 117.491 -4.951 19185 5426 1 17 . 1 1 2 2 THR HA H 2 4.713 4.713 4.470 0.243 19185 5427 1 17 . 1 1 2 2 THR C C 2 174.853 174.853 175.175 -0.322 19185 5428 1 17 . 1 1 2 2 THR CA C 2 59.734 59.734 60.336 -0.602 19185 5429 1 17 . 1 1 2 2 THR CB C 2 71.378 71.378 69.877 1.500 19185 5430 1 17 . 1 1 2 2 THR H H 2 8.189 8.189 7.026 1.163 19185 5431 1 17 . 1 1 3 3 LEU N N 3 121.600 121.600 125.553 -3.953 19185 5432 1 17 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.206 -0.105 19185 5433 1 17 . 1 1 3 3 LEU C C 3 178.488 178.488 178.564 -0.076 19185 5434 1 17 . 1 1 3 3 LEU CA C 3 58.153 58.153 56.578 1.575 19185 5435 1 17 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.380 0.063 19185 5436 1 17 . 1 1 3 3 LEU H H 3 8.997 8.997 8.860 0.137 19185 5437 1 17 . 1 1 4 4 ILE N N 4 116.394 116.394 120.130 -3.736 19185 5438 1 17 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.652 0.146 19185 5439 1 17 . 1 1 4 4 ILE C C 4 176.847 176.847 178.019 -1.172 19185 5440 1 17 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.557 -0.773 19185 5441 1 17 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.370 0.707 19185 5442 1 17 . 1 1 4 4 ILE H H 4 8.173 8.173 7.620 0.553 19185 5443 1 17 . 1 1 5 5 GLU N N 5 118.842 118.842 119.216 -0.374 19185 5444 1 17 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.022 -0.249 19185 5445 1 17 . 1 1 5 5 GLU C C 5 177.554 177.554 179.563 -2.009 19185 5446 1 17 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.437 0.161 19185 5447 1 17 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.857 -0.005 19185 5448 1 17 . 1 1 5 5 GLU H H 5 7.394 7.394 7.951 -0.557 19185 5449 1 17 . 1 1 6 6 LEU N N 6 117.867 117.867 119.599 -1.732 19185 5450 1 17 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.004 -0.088 19185 5451 1 17 . 1 1 6 6 LEU C C 6 177.832 177.832 179.263 -1.431 19185 5452 1 17 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.422 0.591 19185 5453 1 17 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.539 0.071 19185 5454 1 17 . 1 1 6 6 LEU H H 6 7.885 7.885 7.443 0.442 19185 5455 1 17 . 1 1 7 7 LEU N N 7 117.636 117.636 120.731 -3.095 19185 5456 1 17 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.004 -0.114 19185 5457 1 17 . 1 1 7 7 LEU C C 7 178.135 178.135 178.745 -0.610 19185 5458 1 17 . 1 1 7 7 LEU CA C 7 57.912 57.912 58.061 -0.149 19185 5459 1 17 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.800 -0.333 19185 5460 1 17 . 1 1 7 7 LEU H H 7 8.328 8.328 7.824 0.504 19185 5461 1 17 . 1 1 8 8 ILE N N 8 117.838 117.838 119.190 -1.352 19185 5462 1 17 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.589 -0.020 19185 5463 1 17 . 1 1 8 8 ILE C C 8 177.150 177.150 177.863 -0.713 19185 5464 1 17 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.800 -0.598 19185 5465 1 17 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.846 -0.631 19185 5466 1 17 . 1 1 8 8 ILE H H 8 8.054 8.054 7.743 0.311 19185 5467 1 17 . 1 1 9 9 VAL N N 9 118.866 118.866 120.093 -1.227 19185 5468 1 17 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.565 -0.083 19185 5469 1 17 . 1 1 9 9 VAL C C 9 177.352 177.352 177.848 -0.496 19185 5470 1 17 . 1 1 9 9 VAL CA C 9 67.632 67.632 67.216 0.416 19185 5471 1 17 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.608 -0.327 19185 5472 1 17 . 1 1 9 9 VAL H H 9 8.026 8.026 7.883 0.143 19185 5473 1 17 . 1 1 10 10 VAL N N 10 118.095 118.095 118.687 -0.592 19185 5474 1 17 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.646 -0.203 19185 5475 1 17 . 1 1 10 10 VAL C C 10 176.948 176.948 177.392 -0.444 19185 5476 1 17 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.513 1.621 19185 5477 1 17 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.576 -0.598 19185 5478 1 17 . 1 1 10 10 VAL H H 10 8.399 8.399 8.110 0.289 19185 5479 1 17 . 1 1 11 11 ALA N N 11 121.128 121.128 122.971 -1.843 19185 5480 1 17 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.051 -0.131 19185 5481 1 17 . 1 1 11 11 ALA C C 11 178.816 178.816 179.371 -0.555 19185 5482 1 17 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.321 0.019 19185 5483 1 17 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.327 -0.659 19185 5484 1 17 . 1 1 11 11 ALA H H 11 8.327 8.327 7.705 0.622 19185 5485 1 17 . 1 1 12 12 ILE N N 12 116.336 116.336 115.763 0.573 19185 5486 1 17 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.661 -0.099 19185 5487 1 17 . 1 1 12 12 ILE C C 12 177.403 177.403 177.999 -0.596 19185 5488 1 17 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.820 0.483 19185 5489 1 17 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.714 -0.357 19185 5490 1 17 . 1 1 12 12 ILE H H 12 8.275 8.275 7.918 0.357 19185 5491 1 17 . 1 1 13 13 ILE N N 13 118.949 118.949 120.243 -1.294 19185 5492 1 17 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.743 -0.195 19185 5493 1 17 . 1 1 13 13 ILE C C 13 177.352 177.352 178.250 -0.898 19185 5494 1 17 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.925 0.485 19185 5495 1 17 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.151 -0.379 19185 5496 1 17 . 1 1 13 13 ILE H H 13 8.313 8.313 8.067 0.246 19185 5497 1 17 . 1 1 14 14 GLY N N 14 106.566 106.566 108.869 -2.303 19185 5498 1 17 . 1 1 14 14 GLY C C 14 174.576 174.576 176.325 -1.749 19185 5499 1 17 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.282 0.226 19185 5500 1 17 . 1 1 14 14 GLY H H 14 8.656 8.656 7.885 0.771 19185 5501 1 17 . 1 1 15 15 ILE N N 15 121.111 121.111 123.006 -1.895 19185 5502 1 17 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.894 -0.268 19185 5503 1 17 . 1 1 15 15 ILE C C 15 177.226 177.226 177.789 -0.563 19185 5504 1 17 . 1 1 15 15 ILE CA C 15 65.302 65.302 62.380 2.922 19185 5505 1 17 . 1 1 15 15 ILE CB C 15 37.740 37.740 36.900 0.840 19185 5506 1 17 . 1 1 15 15 ILE H H 15 8.310 8.310 7.713 0.597 19185 5507 1 17 . 1 1 16 16 LEU N N 16 117.956 117.956 119.948 -1.992 19185 5508 1 17 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.913 0.053 19185 5509 1 17 . 1 1 16 16 LEU C C 16 178.665 178.665 179.248 -0.583 19185 5510 1 17 . 1 1 16 16 LEU CA C 16 57.709 57.709 58.004 -0.295 19185 5511 1 17 . 1 1 16 16 LEU CB C 16 41.500 41.500 40.828 0.672 19185 5512 1 17 . 1 1 16 16 LEU H H 16 8.250 8.250 8.063 0.187 19185 5513 1 17 . 1 1 17 17 ALA N N 17 119.727 119.727 121.582 -1.855 19185 5514 1 17 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.031 -0.115 19185 5515 1 17 . 1 1 17 17 ALA C C 17 178.160 178.160 179.154 -0.994 19185 5516 1 17 . 1 1 17 17 ALA CA C 17 55.059 55.059 55.005 0.054 19185 5517 1 17 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.016 -0.163 19185 5518 1 17 . 1 1 17 17 ALA H H 17 8.640 8.640 8.161 0.479 19185 5519 1 17 . 1 1 18 18 ALA N N 18 117.791 117.791 120.992 -3.201 19185 5520 1 17 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.090 -0.050 19185 5521 1 17 . 1 1 18 18 ALA C C 18 178.841 178.841 179.103 -0.262 19185 5522 1 17 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.763 -0.317 19185 5523 1 17 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.642 -0.473 19185 5524 1 17 . 1 1 18 18 ALA H H 18 7.983 7.983 7.832 0.151 19185 5525 1 17 . 1 1 19 19 ILE N N 19 112.844 112.844 114.440 -1.596 19185 5526 1 17 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.211 -0.223 19185 5527 1 17 . 1 1 19 19 ILE C C 19 176.696 176.696 177.565 -0.869 19185 5528 1 17 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.711 0.313 19185 5529 1 17 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.754 0.801 19185 5530 1 17 . 1 1 19 19 ILE H H 19 7.701 7.701 7.861 -0.160 19185 5531 1 17 . 1 1 20 20 ALA N N 20 120.774 120.774 123.632 -2.858 19185 5532 1 17 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.078 0.193 19185 5533 1 17 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.060 -1.510 19185 5534 1 17 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.247 1.636 19185 5535 1 17 . 1 1 20 20 ALA H H 20 8.086 8.086 7.602 0.484 19185 5536 1 17 . 1 1 21 21 ILE N N 21 117.619 117.619 118.475 -0.856 19185 5537 1 17 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.870 0.354 19185 5538 1 17 . 1 1 21 21 ILE CA C 21 62.626 62.626 67.049 -4.423 19185 5539 1 17 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.821 1.013 19185 5540 1 17 . 1 1 21 21 ILE H H 21 8.056 8.056 8.202 -0.146 19185 5541 1 17 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.269 0.115 19185 5542 1 17 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.001 -0.792 19185 5543 1 17 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.049 0.479 19185 5544 1 17 . 1 1 23 23 GLN N N 23 115.494 115.494 118.360 -2.866 19185 5545 1 17 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.147 0.053 19185 5546 1 17 . 1 1 23 23 GLN C C 23 176.898 176.898 178.304 -1.406 19185 5547 1 17 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.883 -1.457 19185 5548 1 17 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.740 -0.703 19185 5549 1 17 . 1 1 23 23 GLN H H 23 8.123 8.123 7.904 0.219 19185 5550 1 17 . 1 1 24 24 PHE N N 24 118.541 118.541 118.604 -0.063 19185 5551 1 17 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.634 0.038 19185 5552 1 17 . 1 1 24 24 PHE C C 24 176.494 176.494 177.221 -0.727 19185 5553 1 17 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.575 -1.258 19185 5554 1 17 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.926 -1.014 19185 5555 1 17 . 1 1 24 24 PHE H H 24 8.068 8.068 8.253 -0.185 19185 5556 1 17 . 1 1 25 25 SER N N 25 115.228 115.228 117.257 -2.029 19185 5557 1 17 . 1 1 25 25 SER HA H 25 4.278 4.278 4.073 0.205 19185 5558 1 17 . 1 1 25 25 SER C C 25 175.308 175.308 176.503 -1.195 19185 5559 1 17 . 1 1 25 25 SER CA C 25 60.288 60.288 62.249 -1.961 19185 5560 1 17 . 1 1 25 25 SER CB C 25 63.278 63.278 63.209 0.069 19185 5561 1 17 . 1 1 25 25 SER H H 25 8.081 8.081 8.533 -0.452 19185 5562 1 17 . 1 1 26 26 ALA N N 26 123.792 123.792 122.504 1.288 19185 5563 1 17 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.150 0.046 19185 5564 1 17 . 1 1 26 26 ALA C C 26 178.387 178.387 179.225 -0.838 19185 5565 1 17 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.514 -0.865 19185 5566 1 17 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.094 0.374 19185 5567 1 17 . 1 1 26 26 ALA H H 26 8.151 8.151 8.029 0.122 19185 5568 1 17 . 1 1 27 27 TYR N N 27 116.956 116.956 120.042 -3.086 19185 5569 1 17 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.075 0.305 19185 5570 1 17 . 1 1 27 27 TYR C C 27 176.090 176.090 177.459 -1.369 19185 5571 1 17 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.550 -2.589 19185 5572 1 17 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.311 0.059 19185 5573 1 17 . 1 1 27 27 TYR H H 27 7.830 7.830 7.444 0.386 19185 5574 1 17 . 1 1 28 28 ARG N N 28 119.962 119.962 118.140 1.822 19185 5575 1 17 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.836 0.298 19185 5576 1 17 . 1 1 28 28 ARG C C 28 176.595 176.595 178.710 -2.115 19185 5577 1 17 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.093 -1.855 19185 5578 1 17 . 1 1 28 28 ARG CB C 28 30.472 30.472 30.103 0.369 19185 5579 1 17 . 1 1 28 28 ARG H H 28 7.814 7.814 7.620 0.194 19185 5580 1 17 . 1 1 29 29 VAL N N 29 118.483 118.483 120.177 -1.694 19185 5581 1 17 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.657 0.309 19185 5582 1 17 . 1 1 29 29 VAL C C 29 176.545 176.545 177.458 -0.913 19185 5583 1 17 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.579 -3.122 19185 5584 1 17 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.327 0.889 19185 5585 1 17 . 1 1 29 29 VAL H H 29 7.819 7.819 7.895 -0.076 19185 5586 1 17 . 1 1 30 30 LYS N N 30 122.256 122.256 119.180 3.076 19185 5587 1 17 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.075 0.124 19185 5588 1 17 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.307 -2.293 19185 5589 1 17 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.850 0.787 19185 5590 1 17 . 1 1 30 30 LYS H H 30 7.962 7.962 8.024 -0.062 19185 5591 1 17 . 1 1 31 31 ALA N N 31 122.625 122.625 122.592 0.033 19185 5592 1 17 . 1 1 31 31 ALA HA H 31 4.208 4.208 3.949 0.259 19185 5593 1 17 . 1 1 31 31 ALA C C 31 177.680 177.680 179.531 -1.851 19185 5594 1 17 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.486 -1.637 19185 5595 1 17 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.615 1.415 19185 5596 1 17 . 1 1 31 31 ALA H H 31 8.053 8.053 7.725 0.328 19185 5597 1 17 . 1 1 32 32 TYR N N 32 118.444 118.444 119.570 -1.126 19185 5598 1 17 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.101 0.347 19185 5599 1 17 . 1 1 32 32 TYR C C 32 175.686 175.686 177.439 -1.753 19185 5600 1 17 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.620 -3.044 19185 5601 1 17 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.679 -0.208 19185 5602 1 17 . 1 1 32 32 TYR H H 32 8.016 8.016 7.766 0.250 19185 5603 1 17 . 1 1 33 33 ASN N N 33 119.421 119.421 116.354 3.067 19185 5604 1 17 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.417 0.236 19185 5605 1 17 . 1 1 33 33 ASN C C 33 175.510 175.510 177.158 -1.648 19185 5606 1 17 . 1 1 33 33 ASN CA C 33 53.558 53.558 56.349 -2.791 19185 5607 1 17 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.791 0.000 19185 5608 1 17 . 1 1 33 33 ASN H H 33 8.174 8.174 7.904 0.270 19185 5609 1 17 . 1 1 34 34 SER N N 34 116.151 116.151 115.695 0.456 19185 5610 1 17 . 1 1 34 34 SER HA H 34 4.359 4.359 4.290 0.069 19185 5611 1 17 . 1 1 34 34 SER C C 34 174.727 174.727 175.958 -1.231 19185 5612 1 17 . 1 1 34 34 SER CA C 34 59.127 59.127 61.249 -2.122 19185 5613 1 17 . 1 1 34 34 SER CB C 34 63.582 63.582 63.070 0.512 19185 5614 1 17 . 1 1 34 34 SER H H 34 8.143 8.143 8.088 0.055 19185 5615 1 17 . 1 1 35 35 ALA N N 35 125.119 125.119 123.234 1.885 19185 5616 1 17 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.052 0.285 19185 5617 1 17 . 1 1 35 35 ALA C C 35 177.807 177.807 179.129 -1.322 19185 5618 1 17 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.752 -1.701 19185 5619 1 17 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.020 0.942 19185 5620 1 17 . 1 1 35 35 ALA H H 35 8.204 8.204 7.575 0.629 19185 5621 1 17 . 1 1 36 36 ALA N N 36 121.508 121.508 121.145 0.363 19185 5622 1 17 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.928 0.362 19185 5623 1 17 . 1 1 36 36 ALA C C 36 178.059 178.059 179.752 -1.693 19185 5624 1 17 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.950 -2.000 19185 5625 1 17 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.845 1.185 19185 5626 1 17 . 1 1 36 36 ALA H H 36 8.134 8.134 7.734 0.400 19185 5627 1 17 . 1 1 37 37 SER N N 37 113.501 113.501 114.279 -0.778 19185 5628 1 17 . 1 1 37 37 SER HA H 37 4.365 4.365 4.087 0.278 19185 5629 1 17 . 1 1 37 37 SER C C 37 175.384 175.384 177.128 -1.744 19185 5630 1 17 . 1 1 37 37 SER CA C 37 59.127 59.127 61.992 -2.865 19185 5631 1 17 . 1 1 37 37 SER CB C 37 63.379 63.379 62.638 0.741 19185 5632 1 17 . 1 1 37 37 SER H H 37 8.071 8.071 8.055 0.016 19185 5633 1 17 . 1 1 38 38 SER N N 38 117.437 117.437 116.311 1.126 19185 5634 1 17 . 1 1 38 38 SER HA H 38 4.371 4.371 4.360 0.011 19185 5635 1 17 . 1 1 38 38 SER C C 38 174.828 174.828 176.306 -1.478 19185 5636 1 17 . 1 1 38 38 SER CA C 38 59.485 59.485 60.767 -1.282 19185 5637 1 17 . 1 1 38 38 SER CB C 38 63.379 63.379 63.225 0.154 19185 5638 1 17 . 1 1 38 38 SER H H 38 8.170 8.170 7.680 0.490 19185 5639 1 17 . 1 1 39 39 ASP N N 39 121.556 121.556 123.483 -1.927 19185 5640 1 17 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.437 0.159 19185 5641 1 17 . 1 1 39 39 ASP C C 39 177.226 177.226 178.221 -0.995 19185 5642 1 17 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.166 -1.976 19185 5643 1 17 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.937 -0.542 19185 5644 1 17 . 1 1 39 39 ASP H H 39 8.216 8.216 8.111 0.105 19185 5645 1 17 . 1 1 40 40 LEU N N 40 121.423 121.423 119.326 2.097 19185 5646 1 17 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.097 0.085 19185 5647 1 17 . 1 1 40 40 LEU C C 40 178.109 178.109 179.186 -1.077 19185 5648 1 17 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.213 -0.511 19185 5649 1 17 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.758 -0.250 19185 5650 1 17 . 1 1 40 40 LEU H H 40 8.265 8.265 8.278 -0.013 19185 5651 1 17 . 1 1 41 41 ARG N N 41 119.425 119.425 119.797 -0.372 19185 5652 1 17 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.036 0.024 19185 5653 1 17 . 1 1 41 41 ARG C C 41 178.160 178.160 178.239 -0.079 19185 5654 1 17 . 1 1 41 41 ARG CA C 41 58.926 58.926 58.497 0.429 19185 5655 1 17 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.490 0.273 19185 5656 1 17 . 1 1 41 41 ARG H H 41 8.109 8.109 7.734 0.375 19185 5657 1 17 . 1 1 42 42 ASN N N 42 117.770 117.770 118.621 -0.851 19185 5658 1 17 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.523 0.100 19185 5659 1 17 . 1 1 42 42 ASN C C 42 177.049 177.049 178.020 -0.971 19185 5660 1 17 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.039 -1.368 19185 5661 1 17 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.190 -0.224 19185 5662 1 17 . 1 1 42 42 ASN H H 42 8.239 8.239 7.964 0.275 19185 5663 1 17 . 1 1 43 43 LEU N N 43 122.159 122.159 119.325 2.834 19185 5664 1 17 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.101 0.057 19185 5665 1 17 . 1 1 43 43 LEU C C 43 177.504 177.504 178.577 -1.073 19185 5666 1 17 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.351 0.156 19185 5667 1 17 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.750 -0.011 19185 5668 1 17 . 1 1 43 43 LEU H H 43 8.048 8.048 8.286 -0.238 19185 5669 1 17 . 1 1 44 44 LYS N N 44 119.015 119.015 120.085 -1.070 19185 5670 1 17 . 1 1 44 44 LYS HA H 44 3.896 3.896 3.964 -0.068 19185 5671 1 17 . 1 1 44 44 LYS C C 44 178.059 178.059 178.489 -0.430 19185 5672 1 17 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.810 0.329 19185 5673 1 17 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.266 0.130 19185 5674 1 17 . 1 1 44 44 LYS H H 44 8.212 8.212 7.804 0.408 19185 5675 1 17 . 1 1 45 45 THR N N 45 113.770 113.770 114.959 -1.189 19185 5676 1 17 . 1 1 45 45 THR HA H 45 4.032 4.032 4.064 -0.032 19185 5677 1 17 . 1 1 45 45 THR C C 45 176.469 176.469 176.103 0.366 19185 5678 1 17 . 1 1 45 45 THR CA C 45 65.303 65.303 66.004 -0.701 19185 5679 1 17 . 1 1 45 45 THR CB C 45 68.645 68.645 68.609 0.036 19185 5680 1 17 . 1 1 45 45 THR H H 45 8.080 8.080 8.000 0.080 19185 5681 1 17 . 1 1 46 46 ALA N N 46 124.926 124.926 123.915 1.011 19185 5682 1 17 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.099 0.074 19185 5683 1 17 . 1 1 46 46 ALA C C 46 179.977 179.977 179.869 0.108 19185 5684 1 17 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.193 -0.313 19185 5685 1 17 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.098 0.130 19185 5686 1 17 . 1 1 46 46 ALA H H 46 8.048 8.048 7.505 0.543 19185 5687 1 17 . 1 1 47 47 LEU N N 47 118.030 118.030 118.948 -0.918 19185 5688 1 17 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.024 0.064 19185 5689 1 17 . 1 1 47 47 LEU C C 47 177.832 177.832 179.534 -1.702 19185 5690 1 17 . 1 1 47 47 LEU CA C 47 57.388 57.388 58.157 -0.769 19185 5691 1 17 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.369 0.443 19185 5692 1 17 . 1 1 47 47 LEU H H 47 8.257 8.257 7.667 0.590 19185 5693 1 17 . 1 1 48 48 GLU N N 48 117.324 117.324 119.357 -2.033 19185 5694 1 17 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.137 -0.084 19185 5695 1 17 . 1 1 48 48 GLU C C 48 178.690 178.690 179.675 -0.985 19185 5696 1 17 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.390 -0.567 19185 5697 1 17 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.030 -0.381 19185 5698 1 17 . 1 1 48 48 GLU H H 48 8.282 8.282 8.678 -0.396 19185 5699 1 17 . 1 1 49 49 SER N N 49 114.057 114.057 116.376 -2.319 19185 5700 1 17 . 1 1 49 49 SER HA H 49 4.330 4.330 4.224 0.106 19185 5701 1 17 . 1 1 49 49 SER C C 49 175.283 175.283 176.561 -1.278 19185 5702 1 17 . 1 1 49 49 SER CA C 49 60.589 60.589 61.443 -0.854 19185 5703 1 17 . 1 1 49 49 SER CB C 49 63.076 63.076 63.014 0.062 19185 5704 1 17 . 1 1 49 49 SER H H 49 8.059 8.059 8.074 -0.015 19185 5705 1 17 . 1 1 50 50 ALA N N 50 123.125 123.125 124.514 -1.389 19185 5706 1 17 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.160 -0.010 19185 5707 1 17 . 1 1 50 50 ALA C C 50 178.034 178.034 179.211 -1.177 19185 5708 1 17 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.892 -1.132 19185 5709 1 17 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.432 0.092 19185 5710 1 17 . 1 1 50 50 ALA H H 50 7.776 7.776 7.733 0.043 19185 5711 1 17 . 1 1 51 51 PHE N N 51 114.586 114.586 118.378 -3.792 19185 5712 1 17 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.299 0.291 19185 5713 1 17 . 1 1 51 51 PHE C C 51 175.560 175.560 175.300 0.260 19185 5714 1 17 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.058 -1.117 19185 5715 1 17 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.511 -0.205 19185 5716 1 17 . 1 1 51 51 PHE H H 51 7.782 7.782 8.028 -0.246 19185 5717 1 17 . 1 1 52 52 ALA N N 52 122.550 122.550 118.977 3.573 19185 5718 1 17 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.168 0.165 19185 5719 1 17 . 1 1 52 52 ALA C C 52 177.529 177.529 178.653 -1.124 19185 5720 1 17 . 1 1 52 52 ALA CA C 52 52.950 52.950 52.751 0.199 19185 5721 1 17 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.730 0.604 19185 5722 1 17 . 1 1 52 52 ALA H H 52 7.731 7.731 7.751 -0.020 19185 5723 1 17 . 1 1 53 53 ASP N N 53 118.118 118.118 119.882 -1.764 19185 5724 1 17 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.430 0.234 19185 5725 1 17 . 1 1 53 53 ASP C C 53 175.686 175.686 176.574 -0.888 19185 5726 1 17 . 1 1 53 53 ASP CA C 53 53.861 53.861 56.252 -2.391 19185 5727 1 17 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.324 -1.206 19185 5728 1 17 . 1 1 53 53 ASP H H 53 8.230 8.230 7.840 0.390 19185 5729 1 17 . 1 1 54 54 ASP N N 54 119.502 119.502 118.596 0.906 19185 5730 1 17 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.813 -0.149 19185 5731 1 17 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.309 -0.448 19185 5732 1 17 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.343 -1.455 19185 5733 1 17 . 1 1 54 54 ASP H H 54 8.217 8.217 7.785 0.432 19185 5734 1 17 . 1 1 55 55 GLN N N 55 119.498 119.498 124.520 -5.022 19185 5735 1 17 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.588 -0.265 19185 5736 1 17 . 1 1 55 55 GLN C C 55 175.712 175.712 176.215 -0.503 19185 5737 1 17 . 1 1 55 55 GLN CA C 55 55.812 55.812 55.046 0.766 19185 5738 1 17 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.127 0.231 19185 5739 1 17 . 1 1 55 55 GLN H H 55 8.160 8.160 8.427 -0.267 19185 5740 1 17 . 1 1 56 56 THR N N 56 114.937 114.937 111.373 3.564 19185 5741 1 17 . 1 1 56 56 THR HA H 56 4.217 4.217 4.203 0.014 19185 5742 1 17 . 1 1 56 56 THR C C 56 173.642 173.642 174.827 -1.185 19185 5743 1 17 . 1 1 56 56 THR CA C 56 61.962 61.962 62.512 -0.550 19185 5744 1 17 . 1 1 56 56 THR CB C 56 69.556 69.556 68.949 0.607 19185 5745 1 17 . 1 1 56 56 THR H H 56 7.999 7.999 7.763 0.236 19185 5746 1 17 . 1 1 57 57 TYR N N 57 122.914 122.914 120.808 2.106 19185 5747 1 17 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.635 0.202 19185 5748 1 17 . 1 1 57 57 TYR CA C 57 55.439 55.439 53.565 1.874 19185 5749 1 17 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.777 0.491 19185 5750 1 17 . 1 1 57 57 TYR H H 57 8.113 8.113 7.899 0.214 19185 5751 1 17 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.569 0.255 19185 5752 1 17 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.721 1.256 19185 5753 1 17 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.686 -0.898 19185 5754 1 17 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.305 0.177 19185 5755 1 17 . 1 1 59 59 PRO C C 59 176.873 176.873 176.414 0.459 19185 5756 1 17 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.619 -0.708 19185 5757 1 17 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.977 0.014 19185 5758 1 17 . 1 1 60 60 GLU N N 60 120.610 120.610 117.234 3.376 19185 5759 1 17 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.142 0.231 19185 5760 1 17 . 1 1 60 60 GLU C C 60 175.459 175.459 175.630 -0.171 19185 5761 1 17 . 1 1 60 60 GLU CA C 60 55.988 55.988 56.902 -0.914 19185 5762 1 17 . 1 1 60 60 GLU CB C 60 29.662 29.662 27.900 1.762 19185 5763 1 17 . 1 1 60 60 GLU H H 60 8.410 8.410 8.513 -0.103 19185 5764 1 18 . 1 1 2 2 THR N N 2 112.540 112.540 119.814 -7.274 19185 5765 1 18 . 1 1 2 2 THR HA H 2 4.713 4.713 4.842 -0.129 19185 5766 1 18 . 1 1 2 2 THR C C 2 174.853 174.853 175.522 -0.669 19185 5767 1 18 . 1 1 2 2 THR CA C 2 59.734 59.734 61.606 -1.872 19185 5768 1 18 . 1 1 2 2 THR CB C 2 71.378 71.378 70.538 0.840 19185 5769 1 18 . 1 1 2 2 THR H H 2 8.189 8.189 8.202 -0.013 19185 5770 1 18 . 1 1 3 3 LEU N N 3 121.600 121.600 123.676 -2.076 19185 5771 1 18 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.226 -0.125 19185 5772 1 18 . 1 1 3 3 LEU C C 3 178.488 178.488 177.933 0.555 19185 5773 1 18 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.321 0.832 19185 5774 1 18 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.800 -0.357 19185 5775 1 18 . 1 1 3 3 LEU H H 3 8.997 8.997 8.882 0.115 19185 5776 1 18 . 1 1 4 4 ILE N N 4 116.394 116.394 119.424 -3.030 19185 5777 1 18 . 1 1 4 4 ILE HA H 4 3.798 3.798 4.106 -0.308 19185 5778 1 18 . 1 1 4 4 ILE C C 4 176.847 176.847 178.048 -1.201 19185 5779 1 18 . 1 1 4 4 ILE CA C 4 63.784 63.784 63.681 0.103 19185 5780 1 18 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.299 0.778 19185 5781 1 18 . 1 1 4 4 ILE H H 4 8.173 8.173 7.934 0.239 19185 5782 1 18 . 1 1 5 5 GLU N N 5 118.842 118.842 119.857 -1.015 19185 5783 1 18 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.173 -0.400 19185 5784 1 18 . 1 1 5 5 GLU C C 5 177.554 177.554 179.406 -1.852 19185 5785 1 18 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.445 0.153 19185 5786 1 18 . 1 1 5 5 GLU CB C 5 28.852 28.852 28.874 -0.022 19185 5787 1 18 . 1 1 5 5 GLU H H 5 7.394 7.394 8.653 -1.259 19185 5788 1 18 . 1 1 6 6 LEU N N 6 117.867 117.867 117.944 -0.077 19185 5789 1 18 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.291 -0.375 19185 5790 1 18 . 1 1 6 6 LEU C C 6 177.832 177.832 178.652 -0.820 19185 5791 1 18 . 1 1 6 6 LEU CA C 6 58.013 58.013 58.285 -0.272 19185 5792 1 18 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.100 0.510 19185 5793 1 18 . 1 1 6 6 LEU H H 6 7.885 7.885 7.867 0.018 19185 5794 1 18 . 1 1 7 7 LEU N N 7 117.636 117.636 120.847 -3.211 19185 5795 1 18 . 1 1 7 7 LEU HA H 7 3.890 3.890 4.065 -0.175 19185 5796 1 18 . 1 1 7 7 LEU C C 7 178.135 178.135 178.986 -0.851 19185 5797 1 18 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.760 0.152 19185 5798 1 18 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.287 0.180 19185 5799 1 18 . 1 1 7 7 LEU H H 7 8.328 8.328 7.345 0.983 19185 5800 1 18 . 1 1 8 8 ILE N N 8 117.838 117.838 119.596 -1.758 19185 5801 1 18 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.688 -0.119 19185 5802 1 18 . 1 1 8 8 ILE C C 8 177.150 177.150 178.027 -0.877 19185 5803 1 18 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.588 -0.386 19185 5804 1 18 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.915 -0.700 19185 5805 1 18 . 1 1 8 8 ILE H H 8 8.054 8.054 7.878 0.176 19185 5806 1 18 . 1 1 9 9 VAL N N 9 118.866 118.866 119.802 -0.936 19185 5807 1 18 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.716 -0.234 19185 5808 1 18 . 1 1 9 9 VAL C C 9 177.352 177.352 177.475 -0.123 19185 5809 1 18 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.468 1.164 19185 5810 1 18 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.884 -0.603 19185 5811 1 18 . 1 1 9 9 VAL H H 9 8.026 8.026 7.746 0.280 19185 5812 1 18 . 1 1 10 10 VAL N N 10 118.095 118.095 119.021 -0.926 19185 5813 1 18 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.640 -0.197 19185 5814 1 18 . 1 1 10 10 VAL C C 10 176.948 176.948 177.007 -0.059 19185 5815 1 18 . 1 1 10 10 VAL CA C 10 67.134 67.134 65.682 1.452 19185 5816 1 18 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.398 -0.420 19185 5817 1 18 . 1 1 10 10 VAL H H 10 8.399 8.399 7.748 0.651 19185 5818 1 18 . 1 1 11 11 ALA N N 11 121.128 121.128 122.939 -1.811 19185 5819 1 18 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.049 -0.128 19185 5820 1 18 . 1 1 11 11 ALA C C 11 178.816 178.816 179.418 -0.602 19185 5821 1 18 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.322 0.018 19185 5822 1 18 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.247 -0.579 19185 5823 1 18 . 1 1 11 11 ALA H H 11 8.327 8.327 7.520 0.807 19185 5824 1 18 . 1 1 12 12 ILE N N 12 116.336 116.336 115.708 0.628 19185 5825 1 18 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.653 -0.091 19185 5826 1 18 . 1 1 12 12 ILE C C 12 177.403 177.403 177.997 -0.594 19185 5827 1 18 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.732 0.571 19185 5828 1 18 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.684 -0.327 19185 5829 1 18 . 1 1 12 12 ILE H H 12 8.275 8.275 7.814 0.461 19185 5830 1 18 . 1 1 13 13 ILE N N 13 118.949 118.949 120.565 -1.616 19185 5831 1 18 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.688 -0.140 19185 5832 1 18 . 1 1 13 13 ILE C C 13 177.352 177.352 178.142 -0.790 19185 5833 1 18 . 1 1 13 13 ILE CA C 13 65.410 65.410 65.095 0.315 19185 5834 1 18 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.221 -0.449 19185 5835 1 18 . 1 1 13 13 ILE H H 13 8.313 8.313 8.015 0.298 19185 5836 1 18 . 1 1 14 14 GLY N N 14 106.566 106.566 108.642 -2.076 19185 5837 1 18 . 1 1 14 14 GLY C C 14 174.576 174.576 176.177 -1.601 19185 5838 1 18 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.343 0.166 19185 5839 1 18 . 1 1 14 14 GLY H H 14 8.656 8.656 7.869 0.787 19185 5840 1 18 . 1 1 15 15 ILE N N 15 121.111 121.111 122.978 -1.867 19185 5841 1 18 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.925 -0.299 19185 5842 1 18 . 1 1 15 15 ILE C C 15 177.226 177.226 177.485 -0.259 19185 5843 1 18 . 1 1 15 15 ILE CA C 15 65.302 65.302 62.972 2.329 19185 5844 1 18 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.899 -0.159 19185 5845 1 18 . 1 1 15 15 ILE H H 15 8.310 8.310 7.373 0.937 19185 5846 1 18 . 1 1 16 16 LEU N N 16 117.956 117.956 119.998 -2.042 19185 5847 1 18 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.828 0.138 19185 5848 1 18 . 1 1 16 16 LEU C C 16 178.665 178.665 179.423 -0.758 19185 5849 1 18 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.925 -0.216 19185 5850 1 18 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.013 0.487 19185 5851 1 18 . 1 1 16 16 LEU H H 16 8.250 8.250 7.846 0.404 19185 5852 1 18 . 1 1 17 17 ALA N N 17 119.727 119.727 121.147 -1.420 19185 5853 1 18 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.055 -0.139 19185 5854 1 18 . 1 1 17 17 ALA C C 17 178.160 178.160 179.144 -0.984 19185 5855 1 18 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.901 0.158 19185 5856 1 18 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.044 -0.191 19185 5857 1 18 . 1 1 17 17 ALA H H 17 8.640 8.640 8.121 0.519 19185 5858 1 18 . 1 1 18 18 ALA N N 18 117.791 117.791 121.475 -3.684 19185 5859 1 18 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.051 -0.011 19185 5860 1 18 . 1 1 18 18 ALA C C 18 178.841 178.841 179.286 -0.445 19185 5861 1 18 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.918 -0.472 19185 5862 1 18 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.631 -0.462 19185 5863 1 18 . 1 1 18 18 ALA H H 18 7.983 7.983 7.697 0.286 19185 5864 1 18 . 1 1 19 19 ILE N N 19 112.844 112.844 113.939 -1.095 19185 5865 1 18 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.162 -0.174 19185 5866 1 18 . 1 1 19 19 ILE C C 19 176.696 176.696 177.528 -0.832 19185 5867 1 18 . 1 1 19 19 ILE CA C 19 63.024 63.024 63.048 -0.024 19185 5868 1 18 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.674 0.881 19185 5869 1 18 . 1 1 19 19 ILE H H 19 7.701 7.701 7.983 -0.282 19185 5870 1 18 . 1 1 20 20 ALA N N 20 120.774 120.774 123.676 -2.902 19185 5871 1 18 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.112 0.159 19185 5872 1 18 . 1 1 20 20 ALA CA C 20 53.551 53.551 54.988 -1.437 19185 5873 1 18 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.138 1.745 19185 5874 1 18 . 1 1 20 20 ALA H H 20 8.086 8.086 7.263 0.823 19185 5875 1 18 . 1 1 21 21 ILE N N 21 117.619 117.619 118.969 -1.350 19185 5876 1 18 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.920 0.304 19185 5877 1 18 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.168 -3.542 19185 5878 1 18 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.505 1.329 19185 5879 1 18 . 1 1 21 21 ILE H H 21 8.056 8.056 8.139 -0.083 19185 5880 1 18 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.269 0.115 19185 5881 1 18 . 1 1 22 22 PRO CA C 22 65.209 65.209 65.999 -0.790 19185 5882 1 18 . 1 1 22 22 PRO CB C 22 31.528 31.528 30.998 0.530 19185 5883 1 18 . 1 1 23 23 GLN N N 23 115.494 115.494 118.729 -3.235 19185 5884 1 18 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.124 0.076 19185 5885 1 18 . 1 1 23 23 GLN C C 23 176.898 176.898 177.884 -0.986 19185 5886 1 18 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.767 -1.341 19185 5887 1 18 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.288 -0.251 19185 5888 1 18 . 1 1 23 23 GLN H H 23 8.123 8.123 8.015 0.108 19185 5889 1 18 . 1 1 24 24 PHE N N 24 118.541 118.541 119.454 -0.913 19185 5890 1 18 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.686 -0.014 19185 5891 1 18 . 1 1 24 24 PHE C C 24 176.494 176.494 177.015 -0.521 19185 5892 1 18 . 1 1 24 24 PHE CA C 24 58.317 58.317 58.899 -0.582 19185 5893 1 18 . 1 1 24 24 PHE CB C 24 38.912 38.912 40.573 -1.661 19185 5894 1 18 . 1 1 24 24 PHE H H 24 8.068 8.068 8.139 -0.071 19185 5895 1 18 . 1 1 25 25 SER N N 25 115.228 115.228 117.025 -1.797 19185 5896 1 18 . 1 1 25 25 SER HA H 25 4.278 4.278 3.914 0.364 19185 5897 1 18 . 1 1 25 25 SER C C 25 175.308 175.308 176.535 -1.227 19185 5898 1 18 . 1 1 25 25 SER CA C 25 60.288 60.288 62.316 -2.028 19185 5899 1 18 . 1 1 25 25 SER CB C 25 63.278 63.278 63.182 0.096 19185 5900 1 18 . 1 1 25 25 SER H H 25 8.081 8.081 8.481 -0.400 19185 5901 1 18 . 1 1 26 26 ALA N N 26 123.792 123.792 122.770 1.022 19185 5902 1 18 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.088 0.108 19185 5903 1 18 . 1 1 26 26 ALA C C 26 178.387 178.387 179.408 -1.021 19185 5904 1 18 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.742 -1.093 19185 5905 1 18 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.101 0.367 19185 5906 1 18 . 1 1 26 26 ALA H H 26 8.151 8.151 7.882 0.269 19185 5907 1 18 . 1 1 27 27 TYR N N 27 116.956 116.956 119.832 -2.876 19185 5908 1 18 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.155 0.225 19185 5909 1 18 . 1 1 27 27 TYR C C 27 176.090 176.090 177.573 -1.483 19185 5910 1 18 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.649 -2.688 19185 5911 1 18 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.546 -0.176 19185 5912 1 18 . 1 1 27 27 TYR H H 27 7.830 7.830 7.485 0.345 19185 5913 1 18 . 1 1 28 28 ARG N N 28 119.962 119.962 118.196 1.766 19185 5914 1 18 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.933 0.201 19185 5915 1 18 . 1 1 28 28 ARG C C 28 176.595 176.595 178.762 -2.167 19185 5916 1 18 . 1 1 28 28 ARG CA C 28 57.237 57.237 59.138 -1.901 19185 5917 1 18 . 1 1 28 28 ARG CB C 28 30.472 30.472 30.112 0.360 19185 5918 1 18 . 1 1 28 28 ARG H H 28 7.814 7.814 7.803 0.011 19185 5919 1 18 . 1 1 29 29 VAL N N 29 118.483 118.483 119.444 -0.961 19185 5920 1 18 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.758 0.208 19185 5921 1 18 . 1 1 29 29 VAL C C 29 176.545 176.545 177.590 -1.045 19185 5922 1 18 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.177 -2.720 19185 5923 1 18 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.387 0.829 19185 5924 1 18 . 1 1 29 29 VAL H H 29 7.819 7.819 8.149 -0.330 19185 5925 1 18 . 1 1 30 30 LYS N N 30 122.256 122.256 119.507 2.749 19185 5926 1 18 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.069 0.130 19185 5927 1 18 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.518 -2.504 19185 5928 1 18 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.921 0.716 19185 5929 1 18 . 1 1 30 30 LYS H H 30 7.962 7.962 7.934 0.028 19185 5930 1 18 . 1 1 31 31 ALA N N 31 122.625 122.625 121.990 0.635 19185 5931 1 18 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.110 0.098 19185 5932 1 18 . 1 1 31 31 ALA C C 31 177.680 177.680 179.393 -1.713 19185 5933 1 18 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.363 -1.514 19185 5934 1 18 . 1 1 31 31 ALA CB C 31 19.030 19.030 18.055 0.976 19185 5935 1 18 . 1 1 31 31 ALA H H 31 8.053 8.053 7.548 0.505 19185 5936 1 18 . 1 1 32 32 TYR N N 32 118.444 118.444 119.407 -0.963 19185 5937 1 18 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.204 0.244 19185 5938 1 18 . 1 1 32 32 TYR C C 32 175.686 175.686 176.639 -0.953 19185 5939 1 18 . 1 1 32 32 TYR CA C 32 58.576 58.576 60.899 -2.323 19185 5940 1 18 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.583 -0.112 19185 5941 1 18 . 1 1 32 32 TYR H H 32 8.016 8.016 8.145 -0.129 19185 5942 1 18 . 1 1 33 33 ASN N N 33 119.421 119.421 116.829 2.592 19185 5943 1 18 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.638 0.015 19185 5944 1 18 . 1 1 33 33 ASN C C 33 175.510 175.510 176.834 -1.324 19185 5945 1 18 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.188 -1.629 19185 5946 1 18 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.484 0.307 19185 5947 1 18 . 1 1 33 33 ASN H H 33 8.174 8.174 7.849 0.325 19185 5948 1 18 . 1 1 34 34 SER N N 34 116.151 116.151 117.051 -0.900 19185 5949 1 18 . 1 1 34 34 SER HA H 34 4.359 4.359 4.185 0.174 19185 5950 1 18 . 1 1 34 34 SER C C 34 174.727 174.727 176.203 -1.476 19185 5951 1 18 . 1 1 34 34 SER CA C 34 59.127 59.127 61.562 -2.435 19185 5952 1 18 . 1 1 34 34 SER CB C 34 63.582 63.582 63.042 0.540 19185 5953 1 18 . 1 1 34 34 SER H H 34 8.143 8.143 8.204 -0.061 19185 5954 1 18 . 1 1 35 35 ALA N N 35 125.119 125.119 123.295 1.824 19185 5955 1 18 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.037 0.300 19185 5956 1 18 . 1 1 35 35 ALA C C 35 177.807 177.807 179.216 -1.409 19185 5957 1 18 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.801 -1.750 19185 5958 1 18 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.090 0.872 19185 5959 1 18 . 1 1 35 35 ALA H H 35 8.204 8.204 7.812 0.392 19185 5960 1 18 . 1 1 36 36 ALA N N 36 121.508 121.508 121.245 0.263 19185 5961 1 18 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.854 0.436 19185 5962 1 18 . 1 1 36 36 ALA C C 36 178.059 178.059 179.444 -1.385 19185 5963 1 18 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.840 -1.890 19185 5964 1 18 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.750 1.280 19185 5965 1 18 . 1 1 36 36 ALA H H 36 8.134 8.134 7.965 0.169 19185 5966 1 18 . 1 1 37 37 SER N N 37 113.501 113.501 114.017 -0.516 19185 5967 1 18 . 1 1 37 37 SER HA H 37 4.365 4.365 4.077 0.288 19185 5968 1 18 . 1 1 37 37 SER C C 37 175.384 175.384 176.899 -1.515 19185 5969 1 18 . 1 1 37 37 SER CA C 37 59.127 59.127 61.319 -2.192 19185 5970 1 18 . 1 1 37 37 SER CB C 37 63.379 63.379 62.797 0.582 19185 5971 1 18 . 1 1 37 37 SER H H 37 8.071 8.071 8.007 0.064 19185 5972 1 18 . 1 1 38 38 SER N N 38 117.437 117.437 115.568 1.869 19185 5973 1 18 . 1 1 38 38 SER HA H 38 4.371 4.371 4.269 0.102 19185 5974 1 18 . 1 1 38 38 SER C C 38 174.828 174.828 176.778 -1.950 19185 5975 1 18 . 1 1 38 38 SER CA C 38 59.485 59.485 60.783 -1.298 19185 5976 1 18 . 1 1 38 38 SER CB C 38 63.379 63.379 63.022 0.357 19185 5977 1 18 . 1 1 38 38 SER H H 38 8.170 8.170 7.848 0.322 19185 5978 1 18 . 1 1 39 39 ASP N N 39 121.556 121.556 123.245 -1.689 19185 5979 1 18 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.398 0.198 19185 5980 1 18 . 1 1 39 39 ASP C C 39 177.226 177.226 178.301 -1.075 19185 5981 1 18 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.276 -2.085 19185 5982 1 18 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.850 -0.455 19185 5983 1 18 . 1 1 39 39 ASP H H 39 8.216 8.216 7.957 0.259 19185 5984 1 18 . 1 1 40 40 LEU N N 40 121.423 121.423 119.403 2.020 19185 5985 1 18 . 1 1 40 40 LEU HA H 40 4.182 4.182 3.988 0.194 19185 5986 1 18 . 1 1 40 40 LEU C C 40 178.109 178.109 179.519 -1.410 19185 5987 1 18 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.709 -1.007 19185 5988 1 18 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.737 -0.229 19185 5989 1 18 . 1 1 40 40 LEU H H 40 8.265 8.265 7.869 0.396 19185 5990 1 18 . 1 1 41 41 ARG N N 41 119.425 119.425 118.112 1.313 19185 5991 1 18 . 1 1 41 41 ARG HA H 41 4.060 4.060 3.927 0.133 19185 5992 1 18 . 1 1 41 41 ARG C C 41 178.160 178.160 178.432 -0.272 19185 5993 1 18 . 1 1 41 41 ARG CA C 41 58.926 58.926 60.069 -1.143 19185 5994 1 18 . 1 1 41 41 ARG CB C 41 29.763 29.763 30.004 -0.241 19185 5995 1 18 . 1 1 41 41 ARG H H 41 8.109 8.109 8.227 -0.118 19185 5996 1 18 . 1 1 42 42 ASN N N 42 117.770 117.770 118.634 -0.864 19185 5997 1 18 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.534 0.089 19185 5998 1 18 . 1 1 42 42 ASN C C 42 177.049 177.049 177.875 -0.826 19185 5999 1 18 . 1 1 42 42 ASN CA C 42 54.671 54.671 55.858 -1.187 19185 6000 1 18 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.250 -0.285 19185 6001 1 18 . 1 1 42 42 ASN H H 42 8.239 8.239 7.886 0.353 19185 6002 1 18 . 1 1 43 43 LEU N N 43 122.159 122.159 119.787 2.372 19185 6003 1 18 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.103 0.055 19185 6004 1 18 . 1 1 43 43 LEU C C 43 177.504 177.504 178.483 -0.979 19185 6005 1 18 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.414 0.093 19185 6006 1 18 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.782 -0.044 19185 6007 1 18 . 1 1 43 43 LEU H H 43 8.048 8.048 8.241 -0.193 19185 6008 1 18 . 1 1 44 44 LYS N N 44 119.015 119.015 120.102 -1.087 19185 6009 1 18 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.043 -0.147 19185 6010 1 18 . 1 1 44 44 LYS C C 44 178.059 178.059 178.706 -0.647 19185 6011 1 18 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.656 0.483 19185 6012 1 18 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.366 0.030 19185 6013 1 18 . 1 1 44 44 LYS H H 44 8.212 8.212 7.648 0.564 19185 6014 1 18 . 1 1 45 45 THR N N 45 113.770 113.770 114.931 -1.161 19185 6015 1 18 . 1 1 45 45 THR HA H 45 4.032 4.032 4.302 -0.270 19185 6016 1 18 . 1 1 45 45 THR C C 45 176.469 176.469 176.306 0.163 19185 6017 1 18 . 1 1 45 45 THR CA C 45 65.303 65.303 65.648 -0.345 19185 6018 1 18 . 1 1 45 45 THR CB C 45 68.645 68.645 68.616 0.029 19185 6019 1 18 . 1 1 45 45 THR H H 45 8.080 8.080 8.061 0.019 19185 6020 1 18 . 1 1 46 46 ALA N N 46 124.926 124.926 124.395 0.531 19185 6021 1 18 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.005 0.168 19185 6022 1 18 . 1 1 46 46 ALA C C 46 179.977 179.977 179.262 0.715 19185 6023 1 18 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.141 -0.261 19185 6024 1 18 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.336 -0.108 19185 6025 1 18 . 1 1 46 46 ALA H H 46 8.048 8.048 7.571 0.477 19185 6026 1 18 . 1 1 47 47 LEU N N 47 118.030 118.030 118.665 -0.635 19185 6027 1 18 . 1 1 47 47 LEU HA H 47 4.088 4.088 3.878 0.210 19185 6028 1 18 . 1 1 47 47 LEU C C 47 177.832 177.832 179.190 -1.358 19185 6029 1 18 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.961 -0.573 19185 6030 1 18 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.607 0.205 19185 6031 1 18 . 1 1 47 47 LEU H H 47 8.257 8.257 7.681 0.576 19185 6032 1 18 . 1 1 48 48 GLU N N 48 117.324 117.324 119.309 -1.985 19185 6033 1 18 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.101 -0.048 19185 6034 1 18 . 1 1 48 48 GLU C C 48 178.690 178.690 179.432 -0.742 19185 6035 1 18 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.656 -0.833 19185 6036 1 18 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.298 -0.649 19185 6037 1 18 . 1 1 48 48 GLU H H 48 8.282 8.282 8.505 -0.223 19185 6038 1 18 . 1 1 49 49 SER N N 49 114.057 114.057 114.642 -0.585 19185 6039 1 18 . 1 1 49 49 SER HA H 49 4.330 4.330 4.251 0.079 19185 6040 1 18 . 1 1 49 49 SER C C 49 175.283 175.283 175.499 -0.216 19185 6041 1 18 . 1 1 49 49 SER CA C 49 60.589 60.589 60.783 -0.195 19185 6042 1 18 . 1 1 49 49 SER CB C 49 63.076 63.076 63.139 -0.063 19185 6043 1 18 . 1 1 49 49 SER H H 49 8.059 8.059 8.074 -0.015 19185 6044 1 18 . 1 1 50 50 ALA N N 50 123.125 123.125 123.322 -0.197 19185 6045 1 18 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.143 0.007 19185 6046 1 18 . 1 1 50 50 ALA C C 50 178.034 178.034 179.930 -1.896 19185 6047 1 18 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.471 -0.711 19185 6048 1 18 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.444 0.080 19185 6049 1 18 . 1 1 50 50 ALA H H 50 7.776 7.776 7.294 0.482 19185 6050 1 18 . 1 1 51 51 PHE N N 51 114.586 114.586 117.574 -2.988 19185 6051 1 18 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.661 -0.071 19185 6052 1 18 . 1 1 51 51 PHE C C 51 175.560 175.560 177.372 -1.812 19185 6053 1 18 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.036 -1.095 19185 6054 1 18 . 1 1 51 51 PHE CB C 51 39.306 39.306 38.300 1.006 19185 6055 1 18 . 1 1 51 51 PHE H H 51 7.782 7.782 8.246 -0.464 19185 6056 1 18 . 1 1 52 52 ALA N N 52 122.550 122.550 121.243 1.307 19185 6057 1 18 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.109 0.224 19185 6058 1 18 . 1 1 52 52 ALA C C 52 177.529 177.529 178.503 -0.974 19185 6059 1 18 . 1 1 52 52 ALA CA C 52 52.950 52.950 54.246 -1.296 19185 6060 1 18 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.035 1.299 19185 6061 1 18 . 1 1 52 52 ALA H H 52 7.731 7.731 7.720 0.011 19185 6062 1 18 . 1 1 53 53 ASP N N 53 118.118 118.118 118.101 0.017 19185 6063 1 18 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.553 0.111 19185 6064 1 18 . 1 1 53 53 ASP C C 53 175.686 175.686 175.578 0.108 19185 6065 1 18 . 1 1 53 53 ASP CA C 53 53.861 53.861 54.564 -0.703 19185 6066 1 18 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.552 -1.434 19185 6067 1 18 . 1 1 53 53 ASP H H 53 8.230 8.230 7.613 0.617 19185 6068 1 18 . 1 1 54 54 ASP N N 54 119.502 119.502 117.206 2.296 19185 6069 1 18 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.499 0.165 19185 6070 1 18 . 1 1 54 54 ASP CA C 54 53.861 53.861 54.692 -0.831 19185 6071 1 18 . 1 1 54 54 ASP CB C 54 39.888 39.888 40.506 -0.618 19185 6072 1 18 . 1 1 54 54 ASP H H 54 8.217 8.217 7.636 0.581 19185 6073 1 18 . 1 1 55 55 GLN N N 55 119.498 119.498 121.600 -2.102 19185 6074 1 18 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.354 -0.031 19185 6075 1 18 . 1 1 55 55 GLN C C 55 175.712 175.712 176.672 -0.960 19185 6076 1 18 . 1 1 55 55 GLN CA C 55 55.812 55.812 56.824 -1.012 19185 6077 1 18 . 1 1 55 55 GLN CB C 55 29.358 29.358 29.641 -0.283 19185 6078 1 18 . 1 1 55 55 GLN H H 55 8.160 8.160 8.631 -0.471 19185 6079 1 18 . 1 1 56 56 THR N N 56 114.937 114.937 112.846 2.091 19185 6080 1 18 . 1 1 56 56 THR HA H 56 4.217 4.217 4.326 -0.109 19185 6081 1 18 . 1 1 56 56 THR C C 56 173.642 173.642 174.273 -0.631 19185 6082 1 18 . 1 1 56 56 THR CA C 56 61.962 61.962 60.803 1.159 19185 6083 1 18 . 1 1 56 56 THR CB C 56 69.556 69.556 68.769 0.787 19185 6084 1 18 . 1 1 56 56 THR H H 56 7.999 7.999 7.859 0.140 19185 6085 1 18 . 1 1 57 57 TYR N N 57 122.914 122.914 122.059 0.855 19185 6086 1 18 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.702 0.135 19185 6087 1 18 . 1 1 57 57 TYR CA C 57 55.439 55.439 55.193 0.246 19185 6088 1 18 . 1 1 57 57 TYR CB C 57 38.268 38.268 37.676 0.592 19185 6089 1 18 . 1 1 57 57 TYR H H 57 8.113 8.113 7.982 0.131 19185 6090 1 18 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.601 0.223 19185 6091 1 18 . 1 1 58 58 PRO CA C 58 62.976 62.976 62.137 0.839 19185 6092 1 18 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.316 -0.528 19185 6093 1 18 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.596 -0.114 19185 6094 1 18 . 1 1 59 59 PRO C C 59 176.873 176.873 176.526 0.347 19185 6095 1 18 . 1 1 59 59 PRO CA C 59 62.911 62.911 62.459 0.452 19185 6096 1 18 . 1 1 59 59 PRO CB C 59 31.991 31.991 32.324 -0.333 19185 6097 1 18 . 1 1 60 60 GLU N N 60 120.610 120.610 120.036 0.574 19185 6098 1 18 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.283 0.090 19185 6099 1 18 . 1 1 60 60 GLU C C 60 175.459 175.459 176.218 -0.759 19185 6100 1 18 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.116 -1.128 19185 6101 1 18 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.380 0.282 19185 6102 1 18 . 1 1 60 60 GLU H H 60 8.410 8.410 8.436 -0.026 19185 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 56 2.065 0.717 1.954 19185 2 1 1 "Average Difference" HA 60 0.190 -0.079 0.175 19185 3 1 1 "Average Difference" C 52 1.149 0.926 0.686 19185 4 1 1 "Average Difference" CA 59 1.560 0.913 1.276 19185 5 1 1 "Average Difference" CB 58 0.803 -0.111 0.802 19185 6 1 1 "Average Difference" HN 56 0.386 -0.210 0.327 19185 7 1 2 "Average Difference" N 56 2.272 0.781 2.153 19185 8 1 2 "Average Difference" HA 60 0.200 -0.075 0.187 19185 9 1 2 "Average Difference" C 52 1.148 0.949 0.653 19185 10 1 2 "Average Difference" CA 59 1.563 0.890 1.295 19185 11 1 2 "Average Difference" CB 58 0.642 -0.071 0.643 19185 12 1 2 "Average Difference" HN 56 0.397 -0.203 0.345 19185 13 1 3 "Average Difference" N 56 2.149 0.870 1.983 19185 14 1 3 "Average Difference" HA 60 0.208 -0.065 0.200 19185 15 1 3 "Average Difference" C 52 1.218 0.985 0.723 19185 16 1 3 "Average Difference" CA 59 1.580 0.901 1.308 19185 17 1 3 "Average Difference" CB 58 0.624 -0.146 0.612 19185 18 1 3 "Average Difference" HN 56 0.388 -0.207 0.331 19185 19 1 4 "Average Difference" N 56 2.623 0.996 2.449 19185 20 1 4 "Average Difference" HA 60 0.200 -0.043 0.197 19185 21 1 4 "Average Difference" C 52 1.170 0.894 0.762 19185 22 1 4 "Average Difference" CA 59 1.534 0.763 1.343 19185 23 1 4 "Average Difference" CB 58 0.763 -0.088 0.764 19185 24 1 4 "Average Difference" HN 56 0.386 -0.103 0.375 19185 25 1 5 "Average Difference" N 56 1.909 0.648 1.812 19185 26 1 5 "Average Difference" HA 60 0.198 -0.080 0.183 19185 27 1 5 "Average Difference" C 52 1.112 0.900 0.660 19185 28 1 5 "Average Difference" CA 59 1.442 0.791 1.215 19185 29 1 5 "Average Difference" CB 58 0.727 -0.176 0.711 19185 30 1 5 "Average Difference" HN 56 0.375 -0.138 0.352 19185 31 1 6 "Average Difference" N 56 2.148 0.966 1.936 19185 32 1 6 "Average Difference" HA 60 0.200 -0.066 0.191 19185 33 1 6 "Average Difference" C 52 1.103 0.947 0.570 19185 34 1 6 "Average Difference" CA 59 1.418 0.827 1.162 19185 35 1 6 "Average Difference" CB 58 0.627 -0.065 0.629 19185 36 1 6 "Average Difference" HN 56 0.397 -0.178 0.358 19185 37 1 7 "Average Difference" N 56 2.226 0.746 2.116 19185 38 1 7 "Average Difference" HA 60 0.190 -0.048 0.185 19185 39 1 7 "Average Difference" C 52 1.156 0.912 0.716 19185 40 1 7 "Average Difference" CA 59 1.559 0.834 1.329 19185 41 1 7 "Average Difference" CB 58 0.839 -0.053 0.845 19185 42 1 7 "Average Difference" HN 56 0.325 -0.137 0.298 19185 43 1 8 "Average Difference" N 56 2.207 0.825 2.065 19185 44 1 8 "Average Difference" HA 60 0.219 -0.092 0.201 19185 45 1 8 "Average Difference" C 52 1.203 0.955 0.739 19185 46 1 8 "Average Difference" CA 59 1.631 0.936 1.348 19185 47 1 8 "Average Difference" CB 58 0.732 -0.228 0.701 19185 48 1 8 "Average Difference" HN 56 0.456 -0.214 0.406 19185 49 1 9 "Average Difference" N 56 2.058 0.921 1.857 19185 50 1 9 "Average Difference" HA 60 0.194 -0.013 0.196 19185 51 1 9 "Average Difference" C 52 1.094 0.896 0.634 19185 52 1 9 "Average Difference" CA 59 1.374 0.751 1.160 19185 53 1 9 "Average Difference" CB 58 0.867 -0.032 0.874 19185 54 1 9 "Average Difference" HN 56 0.379 -0.175 0.339 19185 55 1 10 "Average Difference" N 56 1.975 0.715 1.858 19185 56 1 10 "Average Difference" HA 60 0.196 -0.067 0.185 19185 57 1 10 "Average Difference" C 52 1.141 0.955 0.631 19185 58 1 10 "Average Difference" CA 59 1.539 0.842 1.300 19185 59 1 10 "Average Difference" CB 58 0.658 -0.146 0.647 19185 60 1 10 "Average Difference" HN 56 0.437 -0.217 0.383 19185 61 1 11 "Average Difference" N 56 1.907 0.796 1.748 19185 62 1 11 "Average Difference" HA 60 0.177 -0.000 0.179 19185 63 1 11 "Average Difference" C 52 1.046 0.816 0.662 19185 64 1 11 "Average Difference" CA 59 1.441 0.676 1.284 19185 65 1 11 "Average Difference" CB 58 0.817 0.091 0.819 19185 66 1 11 "Average Difference" HN 56 0.368 -0.171 0.329 19185 67 1 12 "Average Difference" N 56 2.020 0.828 1.859 19185 68 1 12 "Average Difference" HA 60 0.203 -0.067 0.193 19185 69 1 12 "Average Difference" C 52 1.117 0.915 0.647 19185 70 1 12 "Average Difference" CA 59 1.573 0.890 1.308 19185 71 1 12 "Average Difference" CB 58 0.643 -0.004 0.649 19185 72 1 12 "Average Difference" HN 56 0.379 -0.173 0.340 19185 73 1 13 "Average Difference" N 56 2.123 0.932 1.925 19185 74 1 13 "Average Difference" HA 60 0.178 -0.047 0.173 19185 75 1 13 "Average Difference" C 52 1.057 0.928 0.510 19185 76 1 13 "Average Difference" CA 59 1.463 0.815 1.225 19185 77 1 13 "Average Difference" CB 58 0.703 -0.074 0.706 19185 78 1 13 "Average Difference" HN 56 0.390 -0.147 0.364 19185 79 1 14 "Average Difference" N 56 2.010 0.597 1.936 19185 80 1 14 "Average Difference" HA 60 0.213 -0.059 0.206 19185 81 1 14 "Average Difference" C 52 1.129 0.914 0.669 19185 82 1 14 "Average Difference" CA 59 1.445 0.802 1.212 19185 83 1 14 "Average Difference" CB 58 0.757 -0.106 0.756 19185 84 1 14 "Average Difference" HN 56 0.384 -0.145 0.359 19185 85 1 15 "Average Difference" N 56 2.057 0.726 1.942 19185 86 1 15 "Average Difference" HA 60 0.198 -0.073 0.185 19185 87 1 15 "Average Difference" C 52 1.152 0.930 0.687 19185 88 1 15 "Average Difference" CA 59 1.563 0.838 1.331 19185 89 1 15 "Average Difference" CB 58 0.807 -0.164 0.797 19185 90 1 15 "Average Difference" HN 56 0.368 -0.181 0.323 19185 91 1 16 "Average Difference" N 56 2.183 0.644 2.105 19185 92 1 16 "Average Difference" HA 60 0.207 -0.075 0.195 19185 93 1 16 "Average Difference" C 52 1.241 1.040 0.684 19185 94 1 16 "Average Difference" CA 59 1.610 0.875 1.364 19185 95 1 16 "Average Difference" CB 58 0.767 -0.185 0.750 19185 96 1 16 "Average Difference" HN 56 0.374 -0.204 0.316 19185 97 1 17 "Average Difference" N 56 2.265 0.747 2.157 19185 98 1 17 "Average Difference" HA 60 0.184 -0.064 0.174 19185 99 1 17 "Average Difference" C 52 1.107 0.924 0.616 19185 100 1 17 "Average Difference" CA 59 1.527 0.724 1.356 19185 101 1 17 "Average Difference" CB 58 0.698 -0.157 0.686 19185 102 1 17 "Average Difference" HN 56 0.381 -0.206 0.323 19185 103 1 18 "Average Difference" N 56 2.016 0.695 1.910 19185 104 1 18 "Average Difference" HA 60 0.190 -0.031 0.189 19185 105 1 18 "Average Difference" C 52 1.091 0.888 0.640 19185 106 1 18 "Average Difference" CA 59 1.362 0.722 1.165 19185 107 1 18 "Average Difference" CB 58 0.668 -0.123 0.662 19185 108 1 18 "Average Difference" HN 56 0.439 -0.193 0.398 19185 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 19185 _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 THR N N 2 112.540 112.540 117.778 -5.238 19185 2 1 . 1 1 2 2 THR HA H 2 4.713 4.713 4.574 0.139 19185 3 1 . 1 1 2 2 THR C C 2 174.853 174.853 175.470 -0.617 19185 4 1 . 1 1 2 2 THR CA C 2 59.734 59.734 61.445 -1.711 19185 5 1 . 1 1 2 2 THR CB C 2 71.378 71.378 70.401 0.977 19185 6 1 . 1 1 2 2 THR H H 2 8.189 8.189 8.020 0.169 19185 7 1 . 1 1 3 3 LEU N N 3 121.600 121.600 124.480 -2.880 19185 8 1 . 1 1 3 3 LEU HA H 3 4.101 4.101 4.160 -0.059 19185 9 1 . 1 1 3 3 LEU C C 3 178.488 178.488 178.333 0.155 19185 10 1 . 1 1 3 3 LEU CA C 3 58.153 58.153 57.131 1.022 19185 11 1 . 1 1 3 3 LEU CB C 3 41.443 41.443 41.654 -0.211 19185 12 1 . 1 1 3 3 LEU H H 3 8.997 8.997 8.844 0.153 19185 13 1 . 1 1 4 4 ILE N N 4 116.394 116.394 119.411 -3.017 19185 14 1 . 1 1 4 4 ILE HA H 4 3.798 3.798 3.814 -0.016 19185 15 1 . 1 1 4 4 ILE C C 4 176.847 176.847 178.278 -1.431 19185 16 1 . 1 1 4 4 ILE CA C 4 63.784 63.784 64.047 -0.263 19185 17 1 . 1 1 4 4 ILE CB C 4 37.077 37.077 36.471 0.606 19185 18 1 . 1 1 4 4 ILE H H 4 8.173 8.173 7.794 0.379 19185 19 1 . 1 1 5 5 GLU N N 5 118.842 118.842 119.829 -0.987 19185 20 1 . 1 1 5 5 GLU HA H 5 3.773 3.773 4.065 -0.292 19185 21 1 . 1 1 5 5 GLU C C 5 177.554 177.554 179.493 -1.939 19185 22 1 . 1 1 5 5 GLU CA C 5 59.598 59.598 59.431 0.167 19185 23 1 . 1 1 5 5 GLU CB C 5 28.852 28.852 29.071 -0.219 19185 24 1 . 1 1 5 5 GLU H H 5 7.394 7.394 7.946 -0.552 19185 25 1 . 1 1 6 6 LEU N N 6 117.867 117.867 119.404 -1.537 19185 26 1 . 1 1 6 6 LEU HA H 6 3.916 3.916 4.087 -0.171 19185 27 1 . 1 1 6 6 LEU C C 6 177.832 177.832 179.053 -1.221 19185 28 1 . 1 1 6 6 LEU CA C 6 58.013 58.013 57.731 0.282 19185 29 1 . 1 1 6 6 LEU CB C 6 41.610 41.610 41.502 0.108 19185 30 1 . 1 1 6 6 LEU H H 6 7.885 7.885 7.697 0.188 19185 31 1 . 1 1 7 7 LEU N N 7 117.636 117.636 120.568 -2.932 19185 32 1 . 1 1 7 7 LEU HA H 7 3.890 3.890 3.995 -0.105 19185 33 1 . 1 1 7 7 LEU C C 7 178.135 178.135 178.976 -0.841 19185 34 1 . 1 1 7 7 LEU CA C 7 57.912 57.912 57.969 -0.057 19185 35 1 . 1 1 7 7 LEU CB C 7 41.467 41.467 41.633 -0.166 19185 36 1 . 1 1 7 7 LEU H H 7 8.328 8.328 7.734 0.594 19185 37 1 . 1 1 8 8 ILE N N 8 117.838 117.838 119.220 -1.382 19185 38 1 . 1 1 8 8 ILE HA H 8 3.569 3.569 3.623 -0.054 19185 39 1 . 1 1 8 8 ILE C C 8 177.150 177.150 177.909 -0.759 19185 40 1 . 1 1 8 8 ILE CA C 8 65.202 65.202 65.751 -0.549 19185 41 1 . 1 1 8 8 ILE CB C 8 37.215 37.215 37.852 -0.637 19185 42 1 . 1 1 8 8 ILE H H 8 8.054 8.054 7.839 0.216 19185 43 1 . 1 1 9 9 VAL N N 9 118.866 118.866 119.992 -1.126 19185 44 1 . 1 1 9 9 VAL HA H 9 3.482 3.482 3.603 -0.121 19185 45 1 . 1 1 9 9 VAL C C 9 177.352 177.352 177.831 -0.479 19185 46 1 . 1 1 9 9 VAL CA C 9 67.632 67.632 66.974 0.658 19185 47 1 . 1 1 9 9 VAL CB C 9 31.282 31.282 31.673 -0.391 19185 48 1 . 1 1 9 9 VAL H H 9 8.026 8.026 7.935 0.091 19185 49 1 . 1 1 10 10 VAL N N 10 118.095 118.095 118.918 -0.823 19185 50 1 . 1 1 10 10 VAL HA H 10 3.443 3.443 3.610 -0.166 19185 51 1 . 1 1 10 10 VAL C C 10 176.948 176.948 177.418 -0.470 19185 52 1 . 1 1 10 10 VAL CA C 10 67.134 67.134 66.018 1.116 19185 53 1 . 1 1 10 10 VAL CB C 10 30.978 30.978 31.455 -0.477 19185 54 1 . 1 1 10 10 VAL H H 10 8.399 8.399 7.897 0.502 19185 55 1 . 1 1 11 11 ALA N N 11 121.128 121.128 122.770 -1.643 19185 56 1 . 1 1 11 11 ALA HA H 11 3.921 3.921 4.058 -0.137 19185 57 1 . 1 1 11 11 ALA C C 11 178.816 178.816 179.460 -0.644 19185 58 1 . 1 1 11 11 ALA CA C 11 55.340 55.340 55.298 0.042 19185 59 1 . 1 1 11 11 ALA CB C 11 17.668 17.668 18.288 -0.620 19185 60 1 . 1 1 11 11 ALA H H 11 8.327 8.327 7.652 0.675 19185 61 1 . 1 1 12 12 ILE N N 12 116.336 116.336 115.806 0.530 19185 62 1 . 1 1 12 12 ILE HA H 12 3.562 3.562 3.669 -0.107 19185 63 1 . 1 1 12 12 ILE C C 12 177.403 177.403 177.981 -0.578 19185 64 1 . 1 1 12 12 ILE CA C 12 65.303 65.303 64.847 0.456 19185 65 1 . 1 1 12 12 ILE CB C 12 37.357 37.357 37.706 -0.349 19185 66 1 . 1 1 12 12 ILE H H 12 8.275 8.275 8.061 0.214 19185 67 1 . 1 1 13 13 ILE N N 13 118.949 118.949 120.287 -1.338 19185 68 1 . 1 1 13 13 ILE HA H 13 3.548 3.548 3.753 -0.205 19185 69 1 . 1 1 13 13 ILE C C 13 177.352 177.352 178.232 -0.880 19185 70 1 . 1 1 13 13 ILE CA C 13 65.410 65.410 64.807 0.603 19185 71 1 . 1 1 13 13 ILE CB C 13 36.772 36.772 37.098 -0.326 19185 72 1 . 1 1 13 13 ILE H H 13 8.313 8.313 7.907 0.406 19185 73 1 . 1 1 14 14 GLY N N 14 106.566 106.566 108.875 -2.309 19185 74 1 . 1 1 14 14 GLY C C 14 174.576 174.576 176.071 -1.495 19185 75 1 . 1 1 14 14 GLY CA C 14 47.509 47.509 47.293 0.216 19185 76 1 . 1 1 14 14 GLY H H 14 8.656 8.656 7.820 0.836 19185 77 1 . 1 1 15 15 ILE N N 15 121.111 121.111 122.998 -1.887 19185 78 1 . 1 1 15 15 ILE HA H 15 3.626 3.626 3.781 -0.155 19185 79 1 . 1 1 15 15 ILE C C 15 177.226 177.226 177.638 -0.412 19185 80 1 . 1 1 15 15 ILE CA C 15 65.302 65.302 64.323 0.979 19185 81 1 . 1 1 15 15 ILE CB C 15 37.740 37.740 37.903 -0.163 19185 82 1 . 1 1 15 15 ILE H H 15 8.310 8.310 7.584 0.726 19185 83 1 . 1 1 16 16 LEU N N 16 117.956 117.956 119.753 -1.797 19185 84 1 . 1 1 16 16 LEU HA H 16 3.966 3.966 3.890 0.076 19185 85 1 . 1 1 16 16 LEU C C 16 178.665 178.665 179.201 -0.536 19185 86 1 . 1 1 16 16 LEU CA C 16 57.709 57.709 57.955 -0.246 19185 87 1 . 1 1 16 16 LEU CB C 16 41.500 41.500 41.068 0.432 19185 88 1 . 1 1 16 16 LEU H H 16 8.250 8.250 7.919 0.331 19185 89 1 . 1 1 17 17 ALA N N 17 119.727 119.727 121.234 -1.507 19185 90 1 . 1 1 17 17 ALA HA H 17 3.916 3.916 4.074 -0.158 19185 91 1 . 1 1 17 17 ALA C C 17 178.160 178.160 179.222 -1.062 19185 92 1 . 1 1 17 17 ALA CA C 17 55.059 55.059 54.912 0.147 19185 93 1 . 1 1 17 17 ALA CB C 17 17.853 17.853 18.058 -0.205 19185 94 1 . 1 1 17 17 ALA H H 17 8.640 8.640 8.135 0.505 19185 95 1 . 1 1 18 18 ALA N N 18 117.791 117.791 121.292 -3.501 19185 96 1 . 1 1 18 18 ALA HA H 18 4.040 4.040 4.079 -0.039 19185 97 1 . 1 1 18 18 ALA C C 18 178.841 178.841 179.113 -0.272 19185 98 1 . 1 1 18 18 ALA CA C 18 54.446 54.446 54.838 -0.392 19185 99 1 . 1 1 18 18 ALA CB C 18 18.169 18.169 18.630 -0.461 19185 100 1 . 1 1 18 18 ALA H H 18 7.983 7.983 7.834 0.149 19185 101 1 . 1 1 19 19 ILE N N 19 112.844 112.844 114.342 -1.498 19185 102 1 . 1 1 19 19 ILE HA H 19 3.988 3.988 4.184 -0.196 19185 103 1 . 1 1 19 19 ILE C C 19 176.696 176.696 177.517 -0.821 19185 104 1 . 1 1 19 19 ILE CA C 19 63.024 63.024 62.718 0.306 19185 105 1 . 1 1 19 19 ILE CB C 19 38.555 38.555 37.719 0.836 19185 106 1 . 1 1 19 19 ILE H H 19 7.701 7.701 7.793 -0.092 19185 107 1 . 1 1 20 20 ALA N N 20 120.774 120.774 123.805 -3.031 19185 108 1 . 1 1 20 20 ALA HA H 20 4.271 4.271 4.012 0.259 19185 109 1 . 1 1 20 20 ALA CA C 20 53.551 53.551 55.112 -1.561 19185 110 1 . 1 1 20 20 ALA CB C 20 19.883 19.883 18.247 1.636 19185 111 1 . 1 1 20 20 ALA H H 20 8.086 8.086 7.521 0.565 19185 112 1 . 1 1 21 21 ILE N N 21 117.619 117.619 118.606 -0.987 19185 113 1 . 1 1 21 21 ILE HA H 21 4.224 4.224 3.897 0.327 19185 114 1 . 1 1 21 21 ILE CA C 21 62.626 62.626 66.621 -3.995 19185 115 1 . 1 1 21 21 ILE CB C 21 36.834 36.834 35.631 1.203 19185 116 1 . 1 1 21 21 ILE H H 21 8.056 8.056 8.155 -0.099 19185 117 1 . 1 1 22 22 PRO HA H 22 4.384 4.384 4.240 0.145 19185 118 1 . 1 1 22 22 PRO CA C 22 65.209 65.209 66.049 -0.840 19185 119 1 . 1 1 22 22 PRO CB C 22 31.528 31.528 31.020 0.508 19185 120 1 . 1 1 23 23 GLN N N 23 115.494 115.494 118.630 -3.136 19185 121 1 . 1 1 23 23 GLN HA H 23 4.200 4.200 4.071 0.129 19185 122 1 . 1 1 23 23 GLN C C 23 176.898 176.898 178.521 -1.623 19185 123 1 . 1 1 23 23 GLN CA C 23 57.426 57.426 58.947 -1.521 19185 124 1 . 1 1 23 23 GLN CB C 23 28.037 28.037 28.584 -0.547 19185 125 1 . 1 1 23 23 GLN H H 23 8.123 8.123 7.865 0.258 19185 126 1 . 1 1 24 24 PHE N N 24 118.541 118.541 119.064 -0.523 19185 127 1 . 1 1 24 24 PHE HA H 24 4.672 4.672 4.593 0.079 19185 128 1 . 1 1 24 24 PHE C C 24 176.494 176.494 177.394 -0.900 19185 129 1 . 1 1 24 24 PHE CA C 24 58.317 58.317 59.681 -1.364 19185 130 1 . 1 1 24 24 PHE CB C 24 38.912 38.912 39.617 -0.705 19185 131 1 . 1 1 24 24 PHE H H 24 8.068 8.068 8.318 -0.250 19185 132 1 . 1 1 25 25 SER N N 25 115.228 115.228 116.817 -1.589 19185 133 1 . 1 1 25 25 SER HA H 25 4.278 4.278 4.017 0.261 19185 134 1 . 1 1 25 25 SER C C 25 175.308 175.308 176.634 -1.326 19185 135 1 . 1 1 25 25 SER CA C 25 60.288 60.288 62.147 -1.859 19185 136 1 . 1 1 25 25 SER CB C 25 63.278 63.278 63.115 0.164 19185 137 1 . 1 1 25 25 SER H H 25 8.081 8.081 8.547 -0.466 19185 138 1 . 1 1 26 26 ALA N N 26 123.792 123.792 122.757 1.035 19185 139 1 . 1 1 26 26 ALA HA H 26 4.196 4.196 4.138 0.058 19185 140 1 . 1 1 26 26 ALA C C 26 178.387 178.387 179.264 -0.877 19185 141 1 . 1 1 26 26 ALA CA C 26 53.649 53.649 54.673 -1.023 19185 142 1 . 1 1 26 26 ALA CB C 26 18.468 18.468 18.178 0.290 19185 143 1 . 1 1 26 26 ALA H H 26 8.151 8.151 7.984 0.167 19185 144 1 . 1 1 27 27 TYR N N 27 116.956 116.956 120.250 -3.294 19185 145 1 . 1 1 27 27 TYR HA H 27 4.380 4.380 4.162 0.218 19185 146 1 . 1 1 27 27 TYR C C 27 176.090 176.090 177.535 -1.445 19185 147 1 . 1 1 27 27 TYR CA C 27 58.961 58.961 61.389 -2.428 19185 148 1 . 1 1 27 27 TYR CB C 27 38.370 38.370 38.624 -0.254 19185 149 1 . 1 1 27 27 TYR H H 27 7.830 7.830 7.604 0.226 19185 150 1 . 1 1 28 28 ARG N N 28 119.962 119.962 118.197 1.765 19185 151 1 . 1 1 28 28 ARG HA H 28 4.134 4.134 3.896 0.238 19185 152 1 . 1 1 28 28 ARG C C 28 176.595 176.595 178.755 -2.160 19185 153 1 . 1 1 28 28 ARG CA C 28 57.237 57.237 58.931 -1.694 19185 154 1 . 1 1 28 28 ARG CB C 28 30.472 30.472 29.799 0.673 19185 155 1 . 1 1 28 28 ARG H H 28 7.814 7.814 7.964 -0.150 19185 156 1 . 1 1 29 29 VAL N N 29 118.483 118.483 120.500 -2.017 19185 157 1 . 1 1 29 29 VAL HA H 29 3.966 3.966 3.768 0.198 19185 158 1 . 1 1 29 29 VAL C C 29 176.545 176.545 177.363 -0.818 19185 159 1 . 1 1 29 29 VAL CA C 29 63.457 63.457 66.134 -2.677 19185 160 1 . 1 1 29 29 VAL CB C 29 32.216 32.216 31.427 0.789 19185 161 1 . 1 1 29 29 VAL H H 29 7.819 7.819 7.920 -0.101 19185 162 1 . 1 1 30 30 LYS N N 30 122.256 122.256 119.691 2.565 19185 163 1 . 1 1 30 30 LYS HA H 30 4.199 4.199 4.069 0.130 19185 164 1 . 1 1 30 30 LYS CA C 30 57.014 57.014 59.403 -2.389 19185 165 1 . 1 1 30 30 LYS CB C 30 32.637 32.637 31.940 0.697 19185 166 1 . 1 1 30 30 LYS H H 30 7.962 7.962 7.978 -0.016 19185 167 1 . 1 1 31 31 ALA N N 31 122.625 122.625 122.117 0.508 19185 168 1 . 1 1 31 31 ALA HA H 31 4.208 4.208 4.033 0.175 19185 169 1 . 1 1 31 31 ALA C C 31 177.680 177.680 179.193 -1.513 19185 170 1 . 1 1 31 31 ALA CA C 31 52.849 52.849 54.462 -1.613 19185 171 1 . 1 1 31 31 ALA CB C 31 19.030 19.030 17.878 1.152 19185 172 1 . 1 1 31 31 ALA H H 31 8.053 8.053 7.834 0.219 19185 173 1 . 1 1 32 32 TYR N N 32 118.444 118.444 119.430 -0.986 19185 174 1 . 1 1 32 32 TYR HA H 32 4.448 4.448 4.147 0.301 19185 175 1 . 1 1 32 32 TYR C C 32 175.686 175.686 177.138 -1.452 19185 176 1 . 1 1 32 32 TYR CA C 32 58.576 58.576 61.206 -2.629 19185 177 1 . 1 1 32 32 TYR CB C 32 38.471 38.471 38.622 -0.151 19185 178 1 . 1 1 32 32 TYR H H 32 8.016 8.016 7.806 0.210 19185 179 1 . 1 1 33 33 ASN N N 33 119.421 119.421 116.881 2.540 19185 180 1 . 1 1 33 33 ASN HA H 33 4.653 4.653 4.420 0.233 19185 181 1 . 1 1 33 33 ASN C C 33 175.510 175.510 177.291 -1.781 19185 182 1 . 1 1 33 33 ASN CA C 33 53.558 53.558 55.934 -2.376 19185 183 1 . 1 1 33 33 ASN CB C 33 38.791 38.791 38.578 0.213 19185 184 1 . 1 1 33 33 ASN H H 33 8.174 8.174 8.131 0.043 19185 185 1 . 1 1 34 34 SER N N 34 116.151 116.151 116.459 -0.308 19185 186 1 . 1 1 34 34 SER HA H 34 4.359 4.359 4.206 0.153 19185 187 1 . 1 1 34 34 SER C C 34 174.727 174.727 176.027 -1.300 19185 188 1 . 1 1 34 34 SER CA C 34 59.127 59.127 61.395 -2.268 19185 189 1 . 1 1 34 34 SER CB C 34 63.582 63.582 63.055 0.527 19185 190 1 . 1 1 34 34 SER H H 34 8.143 8.143 8.088 0.055 19185 191 1 . 1 1 35 35 ALA N N 35 125.119 125.119 123.332 1.787 19185 192 1 . 1 1 35 35 ALA HA H 35 4.337 4.337 4.125 0.212 19185 193 1 . 1 1 35 35 ALA C C 35 177.807 177.807 179.302 -1.495 19185 194 1 . 1 1 35 35 ALA CA C 35 53.051 53.051 54.672 -1.622 19185 195 1 . 1 1 35 35 ALA CB C 35 18.962 18.962 18.152 0.810 19185 196 1 . 1 1 35 35 ALA H H 35 8.204 8.204 7.714 0.490 19185 197 1 . 1 1 36 36 ALA N N 36 121.508 121.508 121.071 0.437 19185 198 1 . 1 1 36 36 ALA HA H 36 4.290 4.290 3.921 0.369 19185 199 1 . 1 1 36 36 ALA C C 36 178.059 178.059 179.553 -1.494 19185 200 1 . 1 1 36 36 ALA CA C 36 52.950 52.950 54.802 -1.851 19185 201 1 . 1 1 36 36 ALA CB C 36 19.030 19.030 17.951 1.079 19185 202 1 . 1 1 36 36 ALA H H 36 8.134 8.134 7.958 0.176 19185 203 1 . 1 1 37 37 SER N N 37 113.501 113.501 114.217 -0.716 19185 204 1 . 1 1 37 37 SER HA H 37 4.365 4.365 4.058 0.307 19185 205 1 . 1 1 37 37 SER C C 37 175.384 175.384 176.843 -1.459 19185 206 1 . 1 1 37 37 SER CA C 37 59.127 59.127 61.837 -2.710 19185 207 1 . 1 1 37 37 SER CB C 37 63.379 63.379 62.945 0.434 19185 208 1 . 1 1 37 37 SER H H 37 8.071 8.071 8.018 0.053 19185 209 1 . 1 1 38 38 SER N N 38 117.437 117.437 116.649 0.788 19185 210 1 . 1 1 38 38 SER HA H 38 4.371 4.371 4.231 0.140 19185 211 1 . 1 1 38 38 SER C C 38 174.828 174.828 176.422 -1.594 19185 212 1 . 1 1 38 38 SER CA C 38 59.485 59.485 61.307 -1.823 19185 213 1 . 1 1 38 38 SER CB C 38 63.379 63.379 63.097 0.282 19185 214 1 . 1 1 38 38 SER H H 38 8.170 8.170 7.930 0.240 19185 215 1 . 1 1 39 39 ASP N N 39 121.556 121.556 123.369 -1.813 19185 216 1 . 1 1 39 39 ASP HA H 39 4.596 4.596 4.394 0.202 19185 217 1 . 1 1 39 39 ASP C C 39 177.226 177.226 178.207 -0.981 19185 218 1 . 1 1 39 39 ASP CA C 39 55.191 55.191 57.322 -2.131 19185 219 1 . 1 1 39 39 ASP CB C 39 40.395 40.395 40.857 -0.462 19185 220 1 . 1 1 39 39 ASP H H 39 8.216 8.216 7.977 0.239 19185 221 1 . 1 1 40 40 LEU N N 40 121.423 121.423 118.738 2.685 19185 222 1 . 1 1 40 40 LEU HA H 40 4.182 4.182 4.111 0.071 19185 223 1 . 1 1 40 40 LEU C C 40 178.109 178.109 179.108 -0.999 19185 224 1 . 1 1 40 40 LEU CA C 40 56.702 56.702 57.430 -0.728 19185 225 1 . 1 1 40 40 LEU CB C 40 41.508 41.508 41.666 -0.158 19185 226 1 . 1 1 40 40 LEU H H 40 8.265 8.265 7.853 0.412 19185 227 1 . 1 1 41 41 ARG N N 41 119.425 119.425 119.227 0.198 19185 228 1 . 1 1 41 41 ARG HA H 41 4.060 4.060 4.002 0.058 19185 229 1 . 1 1 41 41 ARG C C 41 178.160 178.160 178.216 -0.056 19185 230 1 . 1 1 41 41 ARG CA C 41 58.926 58.926 59.125 -0.199 19185 231 1 . 1 1 41 41 ARG CB C 41 29.763 29.763 29.908 -0.145 19185 232 1 . 1 1 41 41 ARG H H 41 8.109 8.109 8.095 0.014 19185 233 1 . 1 1 42 42 ASN N N 42 117.770 117.770 118.690 -0.920 19185 234 1 . 1 1 42 42 ASN HA H 42 4.623 4.623 4.525 0.098 19185 235 1 . 1 1 42 42 ASN C C 42 177.049 177.049 177.974 -0.925 19185 236 1 . 1 1 42 42 ASN CA C 42 54.671 54.671 56.018 -1.347 19185 237 1 . 1 1 42 42 ASN CB C 42 37.965 37.965 38.343 -0.378 19185 238 1 . 1 1 42 42 ASN H H 42 8.239 8.239 7.972 0.267 19185 239 1 . 1 1 43 43 LEU N N 43 122.159 122.159 119.580 2.579 19185 240 1 . 1 1 43 43 LEU HA H 43 4.158 4.158 4.108 0.050 19185 241 1 . 1 1 43 43 LEU C C 43 177.504 177.504 178.664 -1.160 19185 242 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 57.504 0.003 19185 243 1 . 1 1 43 43 LEU CB C 43 41.739 41.739 41.758 -0.019 19185 244 1 . 1 1 43 43 LEU H H 43 8.048 8.048 8.101 -0.053 19185 245 1 . 1 1 44 44 LYS N N 44 119.015 119.015 119.777 -0.762 19185 246 1 . 1 1 44 44 LYS HA H 44 3.896 3.896 4.045 -0.149 19185 247 1 . 1 1 44 44 LYS C C 44 178.059 178.059 178.763 -0.704 19185 248 1 . 1 1 44 44 LYS CA C 44 60.139 60.139 59.284 0.855 19185 249 1 . 1 1 44 44 LYS CB C 44 32.396 32.396 32.110 0.286 19185 250 1 . 1 1 44 44 LYS H H 44 8.212 8.212 7.637 0.575 19185 251 1 . 1 1 45 45 THR N N 45 113.770 113.770 114.747 -0.977 19185 252 1 . 1 1 45 45 THR HA H 45 4.032 4.032 4.216 -0.184 19185 253 1 . 1 1 45 45 THR C C 45 176.469 176.469 176.208 0.261 19185 254 1 . 1 1 45 45 THR CA C 45 65.303 65.303 65.617 -0.313 19185 255 1 . 1 1 45 45 THR CB C 45 68.645 68.645 68.598 0.047 19185 256 1 . 1 1 45 45 THR H H 45 8.080 8.080 8.031 0.049 19185 257 1 . 1 1 46 46 ALA N N 46 124.926 124.926 124.100 0.826 19185 258 1 . 1 1 46 46 ALA HA H 46 4.173 4.173 4.135 0.038 19185 259 1 . 1 1 46 46 ALA C C 46 179.977 179.977 179.523 0.454 19185 260 1 . 1 1 46 46 ALA CA C 46 54.880 54.880 55.029 -0.149 19185 261 1 . 1 1 46 46 ALA CB C 46 18.228 18.228 18.159 0.069 19185 262 1 . 1 1 46 46 ALA H H 46 8.048 8.048 7.632 0.416 19185 263 1 . 1 1 47 47 LEU N N 47 118.030 118.030 118.929 -0.899 19185 264 1 . 1 1 47 47 LEU HA H 47 4.088 4.088 4.009 0.079 19185 265 1 . 1 1 47 47 LEU C C 47 177.832 177.832 179.057 -1.225 19185 266 1 . 1 1 47 47 LEU CA C 47 57.388 57.388 57.815 -0.427 19185 267 1 . 1 1 47 47 LEU CB C 47 41.812 41.812 41.603 0.209 19185 268 1 . 1 1 47 47 LEU H H 47 8.257 8.257 7.723 0.534 19185 269 1 . 1 1 48 48 GLU N N 48 117.324 117.324 118.741 -1.417 19185 270 1 . 1 1 48 48 GLU HA H 48 4.053 4.053 4.116 -0.063 19185 271 1 . 1 1 48 48 GLU C C 48 178.690 178.690 179.249 -0.559 19185 272 1 . 1 1 48 48 GLU CA C 48 58.823 58.823 59.168 -0.345 19185 273 1 . 1 1 48 48 GLU CB C 48 28.649 28.649 29.086 -0.437 19185 274 1 . 1 1 48 48 GLU H H 48 8.282 8.282 8.378 -0.096 19185 275 1 . 1 1 49 49 SER N N 49 114.057 114.057 115.561 -1.504 19185 276 1 . 1 1 49 49 SER HA H 49 4.330 4.330 4.254 0.076 19185 277 1 . 1 1 49 49 SER C C 49 175.283 175.283 176.170 -0.887 19185 278 1 . 1 1 49 49 SER CA C 49 60.589 60.589 60.978 -0.389 19185 279 1 . 1 1 49 49 SER CB C 49 63.076 63.076 62.970 0.106 19185 280 1 . 1 1 49 49 SER H H 49 8.059 8.059 7.967 0.092 19185 281 1 . 1 1 50 50 ALA N N 50 123.125 123.125 124.091 -0.966 19185 282 1 . 1 1 50 50 ALA HA H 50 4.150 4.150 4.165 -0.015 19185 283 1 . 1 1 50 50 ALA C C 50 178.034 178.034 179.139 -1.105 19185 284 1 . 1 1 50 50 ALA CA C 50 53.760 53.760 54.642 -0.882 19185 285 1 . 1 1 50 50 ALA CB C 50 18.524 18.524 18.533 -0.009 19185 286 1 . 1 1 50 50 ALA H H 50 7.776 7.776 7.669 0.107 19185 287 1 . 1 1 51 51 PHE N N 51 114.586 114.586 117.805 -3.219 19185 288 1 . 1 1 51 51 PHE HA H 51 4.590 4.590 4.532 0.058 19185 289 1 . 1 1 51 51 PHE C C 51 175.560 175.560 176.657 -1.097 19185 290 1 . 1 1 51 51 PHE CA C 51 57.941 57.941 59.187 -1.246 19185 291 1 . 1 1 51 51 PHE CB C 51 39.306 39.306 39.385 -0.079 19185 292 1 . 1 1 51 51 PHE H H 51 7.782 7.782 8.045 -0.263 19185 293 1 . 1 1 52 52 ALA N N 52 122.550 122.550 121.212 1.338 19185 294 1 . 1 1 52 52 ALA HA H 52 4.333 4.333 4.074 0.259 19185 295 1 . 1 1 52 52 ALA C C 52 177.529 177.529 178.169 -0.640 19185 296 1 . 1 1 52 52 ALA CA C 52 52.950 52.950 53.901 -0.951 19185 297 1 . 1 1 52 52 ALA CB C 52 19.334 19.334 18.072 1.262 19185 298 1 . 1 1 52 52 ALA H H 52 7.731 7.731 7.809 -0.078 19185 299 1 . 1 1 53 53 ASP N N 53 118.118 118.118 118.437 -0.319 19185 300 1 . 1 1 53 53 ASP HA H 53 4.664 4.664 4.509 0.155 19185 301 1 . 1 1 53 53 ASP C C 53 175.686 175.686 176.670 -0.984 19185 302 1 . 1 1 53 53 ASP CA C 53 53.861 53.861 55.598 -1.737 19185 303 1 . 1 1 53 53 ASP CB C 53 40.118 40.118 41.598 -1.480 19185 304 1 . 1 1 53 53 ASP H H 53 8.230 8.230 7.954 0.276 19185 305 1 . 1 1 54 54 ASP N N 54 119.502 119.502 118.525 0.977 19185 306 1 . 1 1 54 54 ASP HA H 54 4.664 4.664 4.552 0.112 19185 307 1 . 1 1 54 54 ASP CA C 54 53.861 53.861 55.304 -1.443 19185 308 1 . 1 1 54 54 ASP CB C 54 39.888 39.888 41.295 -1.407 19185 309 1 . 1 1 54 54 ASP H H 54 8.217 8.217 8.006 0.211 19185 310 1 . 1 1 55 55 GLN N N 55 119.498 119.498 120.122 -0.624 19185 311 1 . 1 1 55 55 GLN HA H 55 4.323 4.323 4.364 -0.041 19185 312 1 . 1 1 55 55 GLN C C 55 175.712 175.712 176.530 -0.818 19185 313 1 . 1 1 55 55 GLN CA C 55 55.812 55.812 56.622 -0.810 19185 314 1 . 1 1 55 55 GLN CB C 55 29.358 29.358 28.866 0.492 19185 315 1 . 1 1 55 55 GLN H H 55 8.160 8.160 8.294 -0.134 19185 316 1 . 1 1 56 56 THR N N 56 114.937 114.937 113.038 1.899 19185 317 1 . 1 1 56 56 THR HA H 56 4.217 4.217 4.179 0.038 19185 318 1 . 1 1 56 56 THR C C 56 173.642 173.642 174.361 -0.719 19185 319 1 . 1 1 56 56 THR CA C 56 61.962 61.962 63.362 -1.400 19185 320 1 . 1 1 56 56 THR CB C 56 69.556 69.556 68.614 0.943 19185 321 1 . 1 1 56 56 THR H H 56 7.999 7.999 7.870 0.129 19185 322 1 . 1 1 57 57 TYR N N 57 122.914 122.914 122.947 -0.033 19185 323 1 . 1 1 57 57 TYR HA H 57 4.837 4.837 4.773 0.064 19185 324 1 . 1 1 57 57 TYR CA C 57 55.439 55.439 54.829 0.610 19185 325 1 . 1 1 57 57 TYR CB C 57 38.268 38.268 38.568 -0.300 19185 326 1 . 1 1 57 57 TYR H H 57 8.113 8.113 7.722 0.391 19185 327 1 . 1 1 58 58 PRO HA H 58 4.824 4.824 4.612 0.212 19185 328 1 . 1 1 58 58 PRO CA C 58 62.976 62.976 61.516 1.460 19185 329 1 . 1 1 58 58 PRO CB C 58 30.788 30.788 31.584 -0.796 19185 330 1 . 1 1 59 59 PRO HA H 59 4.482 4.482 4.380 0.102 19185 331 1 . 1 1 59 59 PRO C C 59 176.873 176.873 176.689 0.184 19185 332 1 . 1 1 59 59 PRO CA C 59 62.911 62.911 63.025 -0.114 19185 333 1 . 1 1 59 59 PRO CB C 59 31.991 31.991 31.721 0.270 19185 334 1 . 1 1 60 60 GLU N N 60 120.610 120.610 121.648 -1.038 19185 335 1 . 1 1 60 60 GLU HA H 60 4.373 4.373 4.122 0.251 19185 336 1 . 1 1 60 60 GLU C C 60 175.459 175.459 176.128 -0.669 19185 337 1 . 1 1 60 60 GLU CA C 60 55.988 55.988 57.314 -1.326 19185 338 1 . 1 1 60 60 GLU CB C 60 29.662 29.662 29.285 0.377 19185 339 1 . 1 1 60 60 GLU H H 60 8.410 8.410 8.644 -0.234 19185 stop_ save_