data_18096 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18096 _Entry.PDB_ID 2LM2 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 18096 _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 3 3 ALA N N 3 124.656 124.656 123.886 0.770 18096 2 1 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.735 -0.529 18096 3 1 1 . 1 1 3 3 ALA C C 3 178.133 178.133 177.176 0.957 18096 4 1 1 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.704 1.981 18096 5 1 1 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.869 -1.786 18096 6 1 1 . 1 1 3 3 ALA H H 3 8.402 8.402 8.456 -0.054 18096 7 1 1 . 1 1 4 4 GLU N N 4 117.439 117.439 122.620 -5.181 18096 8 1 1 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.406 -0.277 18096 9 1 1 . 1 1 4 4 GLU C C 4 176.534 176.534 175.528 1.006 18096 10 1 1 . 1 1 4 4 GLU CA C 4 57.424 57.424 55.930 1.494 18096 11 1 1 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.723 0.161 18096 12 1 1 . 1 1 4 4 GLU H H 4 8.219 8.219 8.705 -0.486 18096 13 1 1 . 1 1 5 5 GLU N N 5 118.815 118.815 116.672 2.143 18096 14 1 1 . 1 1 5 5 GLU HA H 5 4.211 4.211 3.860 0.351 18096 15 1 1 . 1 1 5 5 GLU C C 5 176.604 176.604 176.364 0.240 18096 16 1 1 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.241 -0.290 18096 17 1 1 . 1 1 5 5 GLU CB C 5 29.962 29.962 27.869 2.093 18096 18 1 1 . 1 1 5 5 GLU H H 5 7.992 7.992 8.675 -0.683 18096 19 1 1 . 1 1 6 6 GLU N N 6 121.446 121.446 120.223 1.223 18096 20 1 1 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.032 0.152 18096 21 1 1 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.058 -2.637 18096 22 1 1 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.466 0.517 18096 23 1 1 . 1 1 6 6 GLU H H 6 8.148 8.148 8.651 -0.503 18096 24 1 1 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.404 -0.141 18096 25 1 1 . 1 1 7 7 PRO C C 7 178.717 178.717 178.433 0.284 18096 26 1 1 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.281 0.248 18096 27 1 1 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.184 0.139 18096 28 1 1 . 1 1 8 8 LEU N N 8 119.642 119.642 118.859 0.783 18096 29 1 1 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.289 -0.337 18096 30 1 1 . 1 1 8 8 LEU C C 8 177.905 177.905 178.267 -0.362 18096 31 1 1 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.527 1.404 18096 32 1 1 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.863 -0.090 18096 33 1 1 . 1 1 8 8 LEU H H 8 8.222 8.222 7.542 0.680 18096 34 1 1 . 1 1 9 9 PHE N N 9 118.625 118.625 119.638 -1.013 18096 35 1 1 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.110 0.062 18096 36 1 1 . 1 1 9 9 PHE C C 9 177.620 177.620 176.946 0.674 18096 37 1 1 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.841 -0.769 18096 38 1 1 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.036 -0.198 18096 39 1 1 . 1 1 9 9 PHE H H 9 8.071 8.071 8.155 -0.084 18096 40 1 1 . 1 1 10 10 TYR N N 10 117.829 117.829 119.113 -1.284 18096 41 1 1 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.232 -0.042 18096 42 1 1 . 1 1 10 10 TYR C C 10 177.743 177.743 177.582 0.161 18096 43 1 1 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.212 -1.003 18096 44 1 1 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.971 -0.256 18096 45 1 1 . 1 1 10 10 TYR H H 10 8.204 8.204 7.707 0.497 18096 46 1 1 . 1 1 11 11 THR N N 11 115.545 115.545 114.442 1.103 18096 47 1 1 . 1 1 11 11 THR HA H 11 3.875 3.875 4.039 -0.164 18096 48 1 1 . 1 1 11 11 THR C C 11 175.937 175.937 176.685 -0.748 18096 49 1 1 . 1 1 11 11 THR CA C 11 67.187 67.187 65.790 1.397 18096 50 1 1 . 1 1 11 11 THR CB C 11 68.579 68.579 68.545 0.034 18096 51 1 1 . 1 1 11 11 THR H H 11 7.934 7.934 8.016 -0.082 18096 52 1 1 . 1 1 12 12 ILE N N 12 120.096 120.096 120.353 -0.257 18096 53 1 1 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.794 -0.112 18096 54 1 1 . 1 1 12 12 ILE C C 12 175.863 175.863 177.736 -1.873 18096 55 1 1 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.576 0.245 18096 56 1 1 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.914 1.042 18096 57 1 1 . 1 1 12 12 ILE H H 12 8.172 8.172 8.223 -0.051 18096 58 1 1 . 1 1 13 13 ASN N N 13 114.444 114.444 117.825 -3.381 18096 59 1 1 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.409 -0.016 18096 60 1 1 . 1 1 13 13 ASN C C 13 174.880 174.880 176.587 -1.707 18096 61 1 1 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.299 -0.042 18096 62 1 1 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.421 1.125 18096 63 1 1 . 1 1 13 13 ASN H H 13 7.731 7.731 7.532 0.199 18096 64 1 1 . 1 1 14 14 LEU N N 14 115.306 115.306 118.420 -3.114 18096 65 1 1 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.308 0.038 18096 66 1 1 . 1 1 14 14 LEU C C 14 177.427 177.427 177.418 0.009 18096 67 1 1 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.784 -0.414 18096 68 1 1 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.613 -0.847 18096 69 1 1 . 1 1 14 14 LEU H H 14 7.381 7.381 7.193 0.188 18096 70 1 1 . 1 1 15 15 ILE N N 15 117.935 117.935 120.095 -2.160 18096 71 1 1 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.649 -0.051 18096 72 1 1 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.963 0.489 18096 73 1 1 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.137 -0.456 18096 74 1 1 . 1 1 15 15 ILE H H 15 8.135 8.135 7.311 0.824 18096 75 1 1 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.337 -0.291 18096 76 1 1 . 1 1 17 17 PRO C C 17 177.518 177.518 178.546 -1.028 18096 77 1 1 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.715 0.930 18096 78 1 1 . 1 1 17 17 PRO CB C 17 30.966 30.966 31.023 -0.057 18096 79 1 1 . 1 1 18 18 CYS N N 18 113.411 113.411 118.155 -4.744 18096 80 1 1 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.042 -0.091 18096 81 1 1 . 1 1 18 18 CYS C C 18 177.617 177.617 176.984 0.633 18096 82 1 1 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.268 1.220 18096 83 1 1 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.768 -1.000 18096 84 1 1 . 1 1 18 18 CYS H H 18 7.338 7.338 7.542 -0.204 18096 85 1 1 . 1 1 19 19 VAL N N 19 121.720 121.720 118.622 3.098 18096 86 1 1 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.713 -0.192 18096 87 1 1 . 1 1 19 19 VAL C C 19 178.069 178.069 178.212 -0.143 18096 88 1 1 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.623 0.442 18096 89 1 1 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.058 0.694 18096 90 1 1 . 1 1 19 19 VAL H H 19 8.587 8.587 7.747 0.840 18096 91 1 1 . 1 1 20 20 LEU N N 20 121.731 121.731 120.758 0.973 18096 92 1 1 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.913 0.108 18096 93 1 1 . 1 1 20 20 LEU C C 20 177.989 177.989 179.124 -1.135 18096 94 1 1 . 1 1 20 20 LEU CA C 20 58.649 58.649 57.998 0.651 18096 95 1 1 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.756 0.178 18096 96 1 1 . 1 1 20 20 LEU H H 20 8.344 8.344 7.212 1.132 18096 97 1 1 . 1 1 21 21 ILE N N 21 117.403 117.403 119.443 -2.040 18096 98 1 1 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.530 0.139 18096 99 1 1 . 1 1 21 21 ILE C C 21 176.947 176.947 178.097 -1.150 18096 100 1 1 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.744 -0.388 18096 101 1 1 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.761 0.157 18096 102 1 1 . 1 1 21 21 ILE H H 21 8.371 8.371 8.713 -0.342 18096 103 1 1 . 1 1 22 22 THR N N 22 115.544 115.544 114.815 0.729 18096 104 1 1 . 1 1 22 22 THR HA H 22 3.681 3.681 3.786 -0.105 18096 105 1 1 . 1 1 22 22 THR C C 22 176.073 176.073 176.399 -0.326 18096 106 1 1 . 1 1 22 22 THR CA C 22 68.152 68.152 67.173 0.979 18096 107 1 1 . 1 1 22 22 THR CB C 22 68.428 68.428 68.497 -0.069 18096 108 1 1 . 1 1 22 22 THR H H 22 7.829 7.829 7.574 0.255 18096 109 1 1 . 1 1 23 23 SER N N 23 116.192 116.192 117.716 -1.524 18096 110 1 1 . 1 1 23 23 SER HA H 23 4.023 4.023 4.034 -0.011 18096 111 1 1 . 1 1 23 23 SER C C 23 175.279 175.279 176.524 -1.245 18096 112 1 1 . 1 1 23 23 SER CA C 23 63.884 63.884 61.620 2.264 18096 113 1 1 . 1 1 23 23 SER CB C 23 62.971 62.971 62.915 0.056 18096 114 1 1 . 1 1 23 23 SER H H 23 8.069 8.069 7.538 0.531 18096 115 1 1 . 1 1 24 24 LEU N N 24 120.855 120.855 122.064 -1.209 18096 116 1 1 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.010 -0.029 18096 117 1 1 . 1 1 24 24 LEU C C 24 177.542 177.542 178.163 -0.621 18096 118 1 1 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.723 0.313 18096 119 1 1 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.683 0.258 18096 120 1 1 . 1 1 24 24 LEU H H 24 7.858 7.858 7.751 0.107 18096 121 1 1 . 1 1 25 25 ALA N N 25 119.507 119.507 120.811 -1.304 18096 122 1 1 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.152 -0.212 18096 123 1 1 . 1 1 25 25 ALA C C 25 177.915 177.915 179.619 -1.704 18096 124 1 1 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.928 0.684 18096 125 1 1 . 1 1 25 25 ALA CB C 25 18.251 18.251 17.998 0.253 18096 126 1 1 . 1 1 25 25 ALA H H 25 8.141 8.141 7.555 0.586 18096 127 1 1 . 1 1 26 26 ILE N N 26 115.689 115.689 119.254 -3.565 18096 128 1 1 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.760 0.038 18096 129 1 1 . 1 1 26 26 ILE C C 26 177.729 177.729 177.749 -0.020 18096 130 1 1 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.202 1.138 18096 131 1 1 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.018 -0.188 18096 132 1 1 . 1 1 26 26 ILE H H 26 8.012 8.012 7.185 0.827 18096 133 1 1 . 1 1 27 27 LEU N N 27 118.567 118.567 120.906 -2.339 18096 134 1 1 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.959 0.047 18096 135 1 1 . 1 1 27 27 LEU C C 27 178.364 178.364 178.932 -0.568 18096 136 1 1 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.396 0.341 18096 137 1 1 . 1 1 27 27 LEU CB C 27 41.837 41.837 42.045 -0.208 18096 138 1 1 . 1 1 27 27 LEU H H 27 8.045 8.045 8.307 -0.262 18096 139 1 1 . 1 1 28 28 VAL N N 28 113.720 113.720 118.767 -5.047 18096 140 1 1 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.755 -0.180 18096 141 1 1 . 1 1 28 28 VAL C C 28 177.809 177.809 178.758 -0.949 18096 142 1 1 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.518 -0.505 18096 143 1 1 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.504 0.546 18096 144 1 1 . 1 1 28 28 VAL H H 28 8.008 8.008 7.575 0.433 18096 145 1 1 . 1 1 29 29 PHE N N 29 115.458 115.458 119.437 -3.979 18096 146 1 1 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.272 -0.063 18096 147 1 1 . 1 1 29 29 PHE C C 29 176.366 176.366 177.368 -1.002 18096 148 1 1 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.651 -0.793 18096 149 1 1 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.223 0.374 18096 150 1 1 . 1 1 29 29 PHE H H 29 7.915 7.915 7.877 0.038 18096 151 1 1 . 1 1 30 30 TYR N N 30 115.649 115.649 116.810 -1.161 18096 152 1 1 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.494 -0.253 18096 153 1 1 . 1 1 30 30 TYR C C 30 175.388 175.388 175.642 -0.254 18096 154 1 1 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.486 -1.101 18096 155 1 1 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.375 0.265 18096 156 1 1 . 1 1 30 30 TYR H H 30 8.002 8.002 7.633 0.369 18096 157 1 1 . 1 1 31 31 LEU N N 31 121.144 121.144 121.603 -0.459 18096 158 1 1 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.798 -0.350 18096 159 1 1 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.133 2.016 18096 160 1 1 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.738 -0.402 18096 161 1 1 . 1 1 31 31 LEU H H 31 7.514 7.514 7.573 -0.059 18096 162 1 1 . 1 1 32 32 PRO C C 32 176.530 176.530 175.938 0.592 18096 163 1 1 . 1 1 33 33 SER N N 33 115.448 115.448 119.414 -3.966 18096 164 1 1 . 1 1 33 33 SER HA H 33 4.317 4.317 4.631 -0.314 18096 165 1 1 . 1 1 33 33 SER C C 33 174.174 174.174 174.187 -0.013 18096 166 1 1 . 1 1 33 33 SER CA C 33 59.954 59.954 56.675 3.279 18096 167 1 1 . 1 1 33 33 SER H H 33 8.370 8.370 8.118 0.252 18096 168 1 1 . 1 1 34 34 ASP N N 34 119.694 119.694 124.122 -4.428 18096 169 1 1 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.312 0.273 18096 170 1 1 . 1 1 34 34 ASP C C 34 175.971 175.971 176.160 -0.189 18096 171 1 1 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.197 -0.755 18096 172 1 1 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.022 0.218 18096 173 1 1 . 1 1 34 34 ASP H H 34 8.209 8.209 8.723 -0.514 18096 174 1 1 . 1 1 35 35 CYS N N 35 114.872 114.872 118.770 -3.898 18096 175 1 1 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.659 -0.456 18096 176 1 1 . 1 1 35 35 CYS C C 35 175.147 175.147 176.079 -0.932 18096 177 1 1 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.897 2.224 18096 178 1 1 . 1 1 35 35 CYS CB C 35 27.886 27.886 29.864 -1.978 18096 179 1 1 . 1 1 35 35 CYS H H 35 7.750 7.750 8.431 -0.681 18096 180 1 1 . 1 1 36 36 GLY N N 36 110.059 110.059 109.347 0.712 18096 181 1 1 . 1 1 36 36 GLY C C 36 174.391 174.391 175.518 -1.127 18096 182 1 1 . 1 1 36 36 GLY CA C 36 46.287 46.287 47.417 -1.130 18096 183 1 1 . 1 1 36 36 GLY H H 36 8.357 8.357 8.094 0.263 18096 184 1 1 . 1 1 37 37 GLU N N 37 121.785 121.785 120.552 1.233 18096 185 1 1 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.146 -0.080 18096 186 1 1 . 1 1 37 37 GLU C C 37 176.536 176.536 178.695 -2.159 18096 187 1 1 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.672 -0.146 18096 188 1 1 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.263 0.467 18096 189 1 1 . 1 1 37 37 GLU H H 37 8.359 8.359 8.456 -0.097 18096 190 1 1 . 1 1 38 38 LYS N N 38 123.927 123.927 119.289 4.638 18096 191 1 1 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.102 0.021 18096 192 1 1 . 1 1 38 38 LYS C C 38 177.544 177.544 179.139 -1.595 18096 193 1 1 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.336 0.233 18096 194 1 1 . 1 1 38 38 LYS CB C 38 31.677 31.677 32.055 -0.378 18096 195 1 1 . 1 1 38 38 LYS H H 38 8.226 8.226 7.528 0.698 18096 196 1 1 . 1 1 39 39 MET N N 39 117.932 117.932 118.690 -0.758 18096 197 1 1 . 1 1 39 39 MET HA H 39 4.135 4.135 4.296 -0.161 18096 198 1 1 . 1 1 39 39 MET C C 39 178.602 178.602 178.530 0.072 18096 199 1 1 . 1 1 39 39 MET CA C 39 58.851 58.851 59.490 -0.639 18096 200 1 1 . 1 1 39 39 MET CB C 39 32.220 32.220 32.647 -0.427 18096 201 1 1 . 1 1 39 39 MET H H 39 8.262 8.262 7.899 0.363 18096 202 1 1 . 1 1 40 40 THR N N 40 117.201 117.201 114.761 2.440 18096 203 1 1 . 1 1 40 40 THR HA H 40 3.673 3.673 4.112 -0.439 18096 204 1 1 . 1 1 40 40 THR C C 40 175.927 175.927 176.689 -0.762 18096 205 1 1 . 1 1 40 40 THR CA C 40 67.352 67.352 65.735 1.617 18096 206 1 1 . 1 1 40 40 THR H H 40 8.341 8.341 7.949 0.392 18096 207 1 1 . 1 1 41 41 LEU N N 41 120.040 120.040 123.662 -3.622 18096 208 1 1 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.067 -0.015 18096 209 1 1 . 1 1 41 41 LEU C C 41 177.809 177.809 177.849 -0.040 18096 210 1 1 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.725 -0.338 18096 211 1 1 . 1 1 41 41 LEU H H 41 8.181 8.181 7.545 0.636 18096 212 1 1 . 1 1 42 42 CYS N N 42 117.556 117.556 118.272 -0.716 18096 213 1 1 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.043 -0.091 18096 214 1 1 . 1 1 42 42 CYS C C 42 176.460 176.460 176.871 -0.411 18096 215 1 1 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.163 1.333 18096 216 1 1 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.471 -0.638 18096 217 1 1 . 1 1 42 42 CYS H H 42 7.949 7.949 7.635 0.314 18096 218 1 1 . 1 1 43 43 ILE N N 43 117.336 117.336 119.789 -2.453 18096 219 1 1 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.588 0.041 18096 220 1 1 . 1 1 43 43 ILE C C 43 177.256 177.256 178.144 -0.888 18096 221 1 1 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.445 -0.370 18096 222 1 1 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.637 0.307 18096 223 1 1 . 1 1 43 43 ILE H H 43 8.347 8.347 7.599 0.748 18096 224 1 1 . 1 1 44 44 SER N N 44 116.243 116.243 116.245 -0.002 18096 225 1 1 . 1 1 44 44 SER HA H 44 4.083 4.083 4.133 -0.050 18096 226 1 1 . 1 1 44 44 SER C C 44 176.305 176.305 176.596 -0.291 18096 227 1 1 . 1 1 44 44 SER CA C 44 63.348 63.348 62.336 1.012 18096 228 1 1 . 1 1 44 44 SER CB C 44 62.954 62.954 63.182 -0.228 18096 229 1 1 . 1 1 44 44 SER H H 44 8.064 8.064 7.757 0.307 18096 230 1 1 . 1 1 45 45 VAL N N 45 120.333 120.333 122.249 -1.916 18096 231 1 1 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.689 -0.173 18096 232 1 1 . 1 1 45 45 VAL C C 45 177.247 177.247 177.917 -0.670 18096 233 1 1 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.485 0.453 18096 234 1 1 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.795 -0.035 18096 235 1 1 . 1 1 45 45 VAL H H 45 8.036 8.036 8.298 -0.262 18096 236 1 1 . 1 1 46 46 LEU N N 46 119.430 119.430 120.436 -1.006 18096 237 1 1 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.114 -0.166 18096 238 1 1 . 1 1 46 46 LEU C C 46 180.032 180.032 178.343 1.689 18096 239 1 1 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.360 0.166 18096 240 1 1 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.921 0.064 18096 241 1 1 . 1 1 46 46 LEU H H 46 7.959 7.959 7.818 0.141 18096 242 1 1 . 1 1 47 47 LEU N N 47 121.110 121.110 119.449 1.661 18096 243 1 1 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.956 0.042 18096 244 1 1 . 1 1 47 47 LEU C C 47 177.985 177.985 178.393 -0.408 18096 245 1 1 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.267 0.172 18096 246 1 1 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.418 0.628 18096 247 1 1 . 1 1 47 47 LEU H H 47 8.695 8.695 7.463 1.232 18096 248 1 1 . 1 1 48 48 ALA N N 48 121.251 121.251 122.078 -0.827 18096 249 1 1 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.908 -0.063 18096 250 1 1 . 1 1 48 48 ALA C C 48 178.834 178.834 179.758 -0.924 18096 251 1 1 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.232 0.477 18096 252 1 1 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.154 -0.021 18096 253 1 1 . 1 1 48 48 ALA H H 48 8.272 8.272 7.780 0.492 18096 254 1 1 . 1 1 49 49 LEU N N 49 116.290 116.290 119.064 -2.774 18096 255 1 1 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.354 -0.357 18096 256 1 1 . 1 1 49 49 LEU C C 49 178.068 178.068 178.938 -0.870 18096 257 1 1 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.995 0.313 18096 258 1 1 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.705 0.241 18096 259 1 1 . 1 1 49 49 LEU H H 49 8.526 8.526 7.693 0.833 18096 260 1 1 . 1 1 50 50 THR N N 50 115.495 115.495 116.183 -0.688 18096 261 1 1 . 1 1 50 50 THR HA H 50 3.692 3.692 3.935 -0.243 18096 262 1 1 . 1 1 50 50 THR C C 50 176.061 176.061 177.176 -1.115 18096 263 1 1 . 1 1 50 50 THR CA C 50 68.786 68.786 66.691 2.095 18096 264 1 1 . 1 1 50 50 THR H H 50 7.996 7.996 8.028 -0.032 18096 265 1 1 . 1 1 51 51 VAL N N 51 119.977 119.977 121.257 -1.280 18096 266 1 1 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.553 -0.057 18096 267 1 1 . 1 1 51 51 VAL C C 51 177.063 177.063 177.834 -0.771 18096 268 1 1 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.373 0.990 18096 269 1 1 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.509 0.110 18096 270 1 1 . 1 1 51 51 VAL H H 51 8.145 8.145 8.245 -0.099 18096 271 1 1 . 1 1 52 52 PHE N N 52 118.836 118.836 118.822 0.014 18096 272 1 1 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.206 -0.104 18096 273 1 1 . 1 1 52 52 PHE C C 52 176.721 176.721 177.709 -0.988 18096 274 1 1 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.005 -0.366 18096 275 1 1 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.480 0.849 18096 276 1 1 . 1 1 52 52 PHE H H 52 8.354 8.354 7.553 0.801 18096 277 1 1 . 1 1 53 53 LEU N N 53 117.271 117.271 120.709 -3.438 18096 278 1 1 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.931 -0.059 18096 279 1 1 . 1 1 53 53 LEU C C 53 179.184 179.184 178.608 0.576 18096 280 1 1 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.641 -0.784 18096 281 1 1 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.951 0.044 18096 282 1 1 . 1 1 53 53 LEU H H 53 8.438 8.438 8.001 0.437 18096 283 1 1 . 1 1 54 54 LEU N N 54 119.310 119.310 118.783 0.527 18096 284 1 1 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.901 0.106 18096 285 1 1 . 1 1 54 54 LEU C C 54 179.224 179.224 178.982 0.242 18096 286 1 1 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.872 0.216 18096 287 1 1 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.853 0.176 18096 288 1 1 . 1 1 54 54 LEU H H 54 8.147 8.147 7.503 0.644 18096 289 1 1 . 1 1 55 55 LEU N N 55 118.400 118.400 119.920 -1.520 18096 290 1 1 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.935 0.165 18096 291 1 1 . 1 1 55 55 LEU C C 55 178.974 178.974 179.218 -0.244 18096 292 1 1 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.295 -0.435 18096 293 1 1 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.205 -0.233 18096 294 1 1 . 1 1 55 55 LEU H H 55 8.096 8.096 7.501 0.595 18096 295 1 1 . 1 1 56 56 ILE N N 56 115.919 115.919 116.378 -0.459 18096 296 1 1 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.874 -0.018 18096 297 1 1 . 1 1 56 56 ILE C C 56 176.763 176.763 177.693 -0.930 18096 298 1 1 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.847 -0.336 18096 299 1 1 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.748 -0.059 18096 300 1 1 . 1 1 56 56 ILE H H 56 8.028 8.028 7.790 0.238 18096 301 1 1 . 1 1 57 57 SER N N 57 114.862 114.862 114.615 0.247 18096 302 1 1 . 1 1 57 57 SER HA H 57 4.178 4.178 4.180 -0.002 18096 303 1 1 . 1 1 57 57 SER C C 57 175.258 175.258 175.684 -0.426 18096 304 1 1 . 1 1 57 57 SER CA C 57 60.946 60.946 61.448 -0.502 18096 305 1 1 . 1 1 57 57 SER CB C 57 63.558 63.558 63.433 0.125 18096 306 1 1 . 1 1 57 57 SER H H 57 7.689 7.689 8.308 -0.619 18096 307 1 1 . 1 1 58 58 LYS N N 58 118.080 118.080 115.944 2.136 18096 308 1 1 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.347 -0.060 18096 309 1 1 . 1 1 58 58 LYS C C 58 176.668 176.668 177.581 -0.913 18096 310 1 1 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.239 -1.132 18096 311 1 1 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.118 -1.054 18096 312 1 1 . 1 1 58 58 LYS H H 58 7.595 7.595 7.553 0.042 18096 313 1 1 . 1 1 59 59 ILE N N 59 116.926 116.926 122.884 -5.958 18096 314 1 1 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.217 -0.183 18096 315 1 1 . 1 1 59 59 ILE C C 59 175.226 175.226 174.914 0.312 18096 316 1 1 . 1 1 59 59 ILE CA C 59 62.384 62.384 59.656 2.728 18096 317 1 1 . 1 1 59 59 ILE CB C 59 38.073 38.073 35.421 2.652 18096 318 1 1 . 1 1 59 59 ILE H H 59 7.706 7.706 7.466 0.240 18096 319 1 1 . 1 1 60 60 VAL N N 60 119.235 119.235 120.409 -1.174 18096 320 1 1 . 1 1 60 60 VAL HA H 60 4.326 4.326 3.806 0.520 18096 321 1 1 . 1 1 60 60 VAL CA C 60 59.747 59.747 62.303 -2.556 18096 322 1 1 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.336 1.930 18096 323 1 1 . 1 1 60 60 VAL H H 60 7.586 7.586 7.852 -0.266 18096 324 1 1 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.747 -0.103 18096 325 1 1 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.629 -0.108 18096 326 1 1 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.937 -0.801 18096 327 1 1 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.386 0.105 18096 328 1 1 . 1 1 62 62 PRO C C 62 176.912 176.912 177.003 -0.091 18096 329 1 1 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.688 -1.445 18096 330 1 1 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.868 0.010 18096 331 1 1 . 1 1 63 63 THR N N 63 111.607 111.607 107.993 3.614 18096 332 1 1 . 1 1 63 63 THR HA H 63 4.447 4.447 4.453 -0.006 18096 333 1 1 . 1 1 63 63 THR C C 63 174.725 174.725 174.387 0.338 18096 334 1 1 . 1 1 63 63 THR CA C 63 61.245 61.245 62.128 -0.883 18096 335 1 1 . 1 1 63 63 THR CB C 63 69.807 69.807 68.340 1.467 18096 336 1 1 . 1 1 63 63 THR H H 63 7.915 7.915 7.850 0.065 18096 337 1 1 . 1 1 64 64 SER N N 64 116.516 116.516 116.558 -0.042 18096 338 1 1 . 1 1 64 64 SER HA H 64 4.411 4.411 4.768 -0.357 18096 339 1 1 . 1 1 64 64 SER C C 64 174.580 174.580 173.255 1.325 18096 340 1 1 . 1 1 64 64 SER CA C 64 58.608 58.608 58.253 0.355 18096 341 1 1 . 1 1 64 64 SER CB C 64 63.742 63.742 64.264 -0.522 18096 342 1 1 . 1 1 64 64 SER H H 64 8.127 8.127 8.177 -0.050 18096 343 1 1 . 1 1 65 65 SER N N 65 116.921 116.921 115.855 1.066 18096 344 1 1 . 1 1 65 65 SER HA H 65 4.453 4.453 4.784 -0.331 18096 345 1 1 . 1 1 65 65 SER C C 65 174.100 174.100 173.287 0.813 18096 346 1 1 . 1 1 65 65 SER CA C 65 58.584 58.584 58.123 0.460 18096 347 1 1 . 1 1 65 65 SER CB C 65 63.668 63.668 64.776 -1.108 18096 348 1 1 . 1 1 65 65 SER H H 65 8.169 8.169 7.595 0.574 18096 349 1 1 . 1 1 66 66 ASP N N 66 120.478 120.478 119.232 1.246 18096 350 1 1 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.845 -0.221 18096 351 1 1 . 1 1 66 66 ASP C C 66 175.730 175.730 176.168 -0.438 18096 352 1 1 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.719 -0.474 18096 353 1 1 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.148 0.047 18096 354 1 1 . 1 1 66 66 ASP H H 66 8.154 8.154 8.420 -0.266 18096 355 1 1 . 1 1 67 67 SER N N 67 115.159 115.159 116.277 -1.118 18096 356 1 1 . 1 1 67 67 SER HA H 67 4.528 4.528 4.811 -0.283 18096 357 1 1 . 1 1 67 67 SER CA C 67 56.493 56.493 56.927 -0.434 18096 358 1 1 . 1 1 67 67 SER CB C 67 63.604 63.604 64.075 -0.471 18096 359 1 1 . 1 1 67 67 SER H H 67 7.930 7.930 7.846 0.084 18096 360 1 1 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.579 -0.184 18096 361 1 1 . 1 1 68 68 PRO C C 68 176.652 176.652 177.453 -0.801 18096 362 1 1 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.474 1.119 18096 363 1 1 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.433 -1.081 18096 364 1 1 . 1 1 69 69 SER N N 69 115.859 115.859 116.347 -0.488 18096 365 1 1 . 1 1 69 69 SER HA H 69 4.436 4.436 4.248 0.188 18096 366 1 1 . 1 1 69 69 SER C C 69 174.611 174.611 176.054 -1.443 18096 367 1 1 . 1 1 69 69 SER CA C 69 58.264 58.264 59.361 -1.097 18096 368 1 1 . 1 1 69 69 SER CB C 69 63.919 63.919 63.694 0.225 18096 369 1 1 . 1 1 69 69 SER H H 69 8.256 8.256 8.585 -0.329 18096 370 1 1 . 1 1 70 70 VAL N N 70 117.241 117.241 121.619 -4.378 18096 371 1 1 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.862 -0.060 18096 372 1 1 . 1 1 70 70 VAL C C 70 177.772 177.772 177.064 0.708 18096 373 1 1 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.983 1.661 18096 374 1 1 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.632 0.264 18096 375 1 1 . 1 1 70 70 VAL H H 70 8.211 8.211 8.302 -0.091 18096 376 1 1 . 1 1 71 71 GLY N N 71 106.999 106.999 105.703 1.296 18096 377 1 1 . 1 1 71 71 GLY C C 71 175.551 175.551 175.438 0.113 18096 378 1 1 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.754 0.491 18096 379 1 1 . 1 1 71 71 GLY H H 71 8.566 8.566 8.424 0.142 18096 380 1 1 . 1 1 72 72 GLU N N 72 121.376 121.376 122.806 -1.430 18096 381 1 1 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.875 0.014 18096 382 1 1 . 1 1 72 72 GLU C C 72 178.495 178.495 179.028 -0.533 18096 383 1 1 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.549 0.569 18096 384 1 1 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.127 0.463 18096 385 1 1 . 1 1 72 72 GLU H H 72 7.919 7.919 7.445 0.474 18096 386 1 1 . 1 1 73 73 TYR N N 73 117.643 117.643 117.834 -0.191 18096 387 1 1 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.318 -0.256 18096 388 1 1 . 1 1 73 73 TYR C C 73 179.921 179.921 178.537 1.384 18096 389 1 1 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.924 2.206 18096 390 1 1 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.680 1.237 18096 391 1 1 . 1 1 73 73 TYR H H 73 8.095 8.095 7.053 1.042 18096 392 1 1 . 1 1 74 74 LEU N N 74 121.712 121.712 121.075 0.637 18096 393 1 1 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.075 -0.012 18096 394 1 1 . 1 1 74 74 LEU C C 74 178.385 178.385 179.181 -0.796 18096 395 1 1 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.441 1.033 18096 396 1 1 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.119 0.819 18096 397 1 1 . 1 1 74 74 LEU H H 74 8.615 8.615 7.637 0.978 18096 398 1 1 . 1 1 75 75 MET N N 75 119.087 119.087 119.198 -0.111 18096 399 1 1 . 1 1 75 75 MET HA H 75 4.056 4.056 4.133 -0.077 18096 400 1 1 . 1 1 75 75 MET C C 75 177.851 177.851 178.633 -0.782 18096 401 1 1 . 1 1 75 75 MET CA C 75 59.166 59.166 58.420 0.746 18096 402 1 1 . 1 1 75 75 MET CB C 75 32.093 32.093 31.575 0.518 18096 403 1 1 . 1 1 75 75 MET H H 75 8.362 8.362 7.917 0.445 18096 404 1 1 . 1 1 76 76 PHE N N 76 117.788 117.788 118.909 -1.121 18096 405 1 1 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.166 -0.061 18096 406 1 1 . 1 1 76 76 PHE C C 76 177.305 177.305 177.972 -0.667 18096 407 1 1 . 1 1 76 76 PHE CA C 76 61.376 61.376 62.279 -0.903 18096 408 1 1 . 1 1 76 76 PHE CB C 76 38.961 38.961 39.004 -0.043 18096 409 1 1 . 1 1 76 76 PHE H H 76 8.471 8.471 8.004 0.467 18096 410 1 1 . 1 1 77 77 THR N N 77 115.298 115.298 115.468 -0.170 18096 411 1 1 . 1 1 77 77 THR HA H 77 3.673 3.673 4.029 -0.356 18096 412 1 1 . 1 1 77 77 THR C C 77 176.057 176.057 176.271 -0.214 18096 413 1 1 . 1 1 77 77 THR CA C 77 68.423 68.423 66.643 1.780 18096 414 1 1 . 1 1 77 77 THR CB C 77 68.204 68.204 68.847 -0.643 18096 415 1 1 . 1 1 77 77 THR H H 77 8.179 8.179 8.566 -0.387 18096 416 1 1 . 1 1 78 78 MET N N 78 119.204 119.204 121.020 -1.816 18096 417 1 1 . 1 1 78 78 MET HA H 78 4.092 4.092 4.210 -0.118 18096 418 1 1 . 1 1 78 78 MET C C 78 179.421 179.421 178.248 1.173 18096 419 1 1 . 1 1 78 78 MET CA C 78 58.810 58.810 59.150 -0.340 18096 420 1 1 . 1 1 78 78 MET CB C 78 32.176 32.176 32.041 0.134 18096 421 1 1 . 1 1 78 78 MET H H 78 8.310 8.310 8.218 0.092 18096 422 1 1 . 1 1 79 79 VAL N N 79 122.115 122.115 117.007 5.108 18096 423 1 1 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.752 -0.260 18096 424 1 1 . 1 1 79 79 VAL C C 79 176.866 176.866 178.349 -1.483 18096 425 1 1 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.694 1.680 18096 426 1 1 . 1 1 79 79 VAL CB C 79 31.615 31.615 30.268 1.347 18096 427 1 1 . 1 1 79 79 VAL H H 79 8.239 8.239 7.814 0.425 18096 428 1 1 . 1 1 80 80 LEU N N 80 120.240 120.240 121.112 -0.872 18096 429 1 1 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.156 -0.217 18096 430 1 1 . 1 1 80 80 LEU C C 80 180.078 180.078 179.415 0.663 18096 431 1 1 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.967 0.631 18096 432 1 1 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.005 0.937 18096 433 1 1 . 1 1 80 80 LEU H H 80 8.058 8.058 7.319 0.739 18096 434 1 1 . 1 1 81 81 VAL N N 81 120.008 120.008 119.767 0.241 18096 435 1 1 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.627 -0.169 18096 436 1 1 . 1 1 81 81 VAL C C 81 177.670 177.670 178.329 -0.659 18096 437 1 1 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.358 -0.021 18096 438 1 1 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.760 -0.145 18096 439 1 1 . 1 1 81 81 VAL H H 81 8.800 8.800 8.674 0.126 18096 440 1 1 . 1 1 82 82 THR N N 82 116.872 116.872 116.354 0.518 18096 441 1 1 . 1 1 82 82 THR HA H 82 3.676 3.676 3.974 -0.298 18096 442 1 1 . 1 1 82 82 THR C C 82 176.268 176.268 176.638 -0.370 18096 443 1 1 . 1 1 82 82 THR CA C 82 68.590 68.590 67.153 1.437 18096 444 1 1 . 1 1 82 82 THR CB C 82 68.468 68.468 68.642 -0.174 18096 445 1 1 . 1 1 82 82 THR H H 82 8.109 8.109 7.824 0.285 18096 446 1 1 . 1 1 83 83 PHE N N 83 119.777 119.777 120.202 -0.425 18096 447 1 1 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.272 -0.191 18096 448 1 1 . 1 1 83 83 PHE C C 83 178.015 178.015 177.620 0.395 18096 449 1 1 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.308 0.304 18096 450 1 1 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.697 -0.011 18096 451 1 1 . 1 1 83 83 PHE H H 83 8.754 8.754 7.869 0.885 18096 452 1 1 . 1 1 84 84 SER N N 84 117.769 117.769 115.410 2.359 18096 453 1 1 . 1 1 84 84 SER HA H 84 4.091 4.091 4.282 -0.191 18096 454 1 1 . 1 1 84 84 SER C C 84 175.899 175.899 176.856 -0.957 18096 455 1 1 . 1 1 84 84 SER CA C 84 63.269 63.269 61.338 1.931 18096 456 1 1 . 1 1 84 84 SER CB C 84 62.962 62.962 63.206 -0.244 18096 457 1 1 . 1 1 84 84 SER H H 84 8.335 8.335 7.666 0.669 18096 458 1 1 . 1 1 85 85 ILE N N 85 122.986 122.986 121.628 1.358 18096 459 1 1 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.841 -0.192 18096 460 1 1 . 1 1 85 85 ILE C C 85 177.778 177.778 177.855 -0.077 18096 461 1 1 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.695 1.809 18096 462 1 1 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.245 1.870 18096 463 1 1 . 1 1 85 85 ILE H H 85 8.187 8.187 7.772 0.415 18096 464 1 1 . 1 1 86 86 VAL N N 86 117.289 117.289 119.589 -2.300 18096 465 1 1 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.651 -0.142 18096 466 1 1 . 1 1 86 86 VAL C C 86 177.816 177.816 178.186 -0.370 18096 467 1 1 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.362 -0.315 18096 468 1 1 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.106 0.491 18096 469 1 1 . 1 1 86 86 VAL H H 86 8.367 8.367 7.898 0.469 18096 470 1 1 . 1 1 87 87 THR N N 87 116.788 116.788 112.673 4.115 18096 471 1 1 . 1 1 87 87 THR HA H 87 3.758 3.758 3.966 -0.208 18096 472 1 1 . 1 1 87 87 THR C C 87 176.095 176.095 176.943 -0.848 18096 473 1 1 . 1 1 87 87 THR CA C 87 67.248 67.248 66.428 0.820 18096 474 1 1 . 1 1 87 87 THR H H 87 8.007 8.007 7.731 0.276 18096 475 1 1 . 1 1 88 88 SER N N 88 116.157 116.157 117.889 -1.732 18096 476 1 1 . 1 1 88 88 SER HA H 88 4.018 4.018 4.091 -0.073 18096 477 1 1 . 1 1 88 88 SER C C 88 174.932 174.932 176.738 -1.806 18096 478 1 1 . 1 1 88 88 SER CA C 88 62.717 62.717 61.903 0.814 18096 479 1 1 . 1 1 88 88 SER CB C 88 62.954 62.954 63.157 -0.203 18096 480 1 1 . 1 1 88 88 SER H H 88 7.662 7.662 8.101 -0.439 18096 481 1 1 . 1 1 89 89 VAL N N 89 117.956 117.956 121.172 -3.216 18096 482 1 1 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.797 -0.281 18096 483 1 1 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.135 1.131 18096 484 1 1 . 1 1 89 89 VAL H H 89 8.274 8.274 7.893 0.381 18096 485 1 1 . 1 1 90 90 CYS N N 90 116.319 116.319 118.409 -2.090 18096 486 1 1 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.074 0.155 18096 487 1 1 . 1 1 90 90 CYS C C 90 175.174 175.174 176.613 -1.439 18096 488 1 1 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.696 -1.078 18096 489 1 1 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.307 -0.516 18096 490 1 1 . 1 1 90 90 CYS H H 90 7.654 7.654 7.874 -0.220 18096 491 1 1 . 1 1 91 91 VAL N N 91 115.534 115.534 117.381 -1.847 18096 492 1 1 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.918 -0.292 18096 493 1 1 . 1 1 91 91 VAL C C 91 176.038 176.038 177.625 -1.587 18096 494 1 1 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.283 -1.675 18096 495 1 1 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.009 -0.087 18096 496 1 1 . 1 1 91 91 VAL H H 91 7.760 7.760 7.569 0.191 18096 497 1 1 . 1 1 92 92 LEU N N 92 119.713 119.713 120.837 -1.124 18096 498 1 1 . 1 1 92 92 LEU HA H 92 4.240 4.240 3.983 0.257 18096 499 1 1 . 1 1 92 92 LEU C C 92 176.769 176.769 177.511 -0.742 18096 500 1 1 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.501 -1.911 18096 501 1 1 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.471 -0.540 18096 502 1 1 . 1 1 92 92 LEU H H 92 7.732 7.732 7.506 0.226 18096 503 1 1 . 1 1 93 93 ASN N N 93 117.817 117.817 115.897 1.920 18096 504 1 1 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.717 -0.041 18096 505 1 1 . 1 1 93 93 ASN C C 93 174.955 174.955 174.055 0.900 18096 506 1 1 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.964 0.291 18096 507 1 1 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.590 -0.082 18096 508 1 1 . 1 1 93 93 ASN H H 93 7.916 7.916 7.941 -0.025 18096 509 1 1 . 1 1 94 94 VAL N N 94 118.650 118.650 120.930 -2.280 18096 510 1 1 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.179 -0.155 18096 511 1 1 . 1 1 94 94 VAL C C 94 175.740 175.740 174.664 1.076 18096 512 1 1 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.128 1.404 18096 513 1 1 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.589 -0.957 18096 514 1 1 . 1 1 94 94 VAL H H 94 7.730 7.730 8.100 -0.370 18096 515 1 1 . 1 1 95 95 HIS N N 95 121.293 121.293 125.978 -4.685 18096 516 1 1 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.807 -0.188 18096 517 1 1 . 1 1 95 95 HIS C C 95 174.146 174.146 174.490 -0.344 18096 518 1 1 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.292 0.290 18096 519 1 1 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.457 -0.702 18096 520 1 1 . 1 1 95 95 HIS H H 95 8.341 8.341 8.530 -0.189 18096 521 1 1 . 1 1 96 96 HIS N N 96 122.728 122.728 124.880 -2.152 18096 522 1 1 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.590 0.045 18096 523 1 1 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.779 -0.197 18096 524 1 1 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.925 -0.152 18096 525 1 1 . 1 1 96 96 HIS H H 96 8.333 8.333 8.707 -0.374 18096 526 1 1 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.075 0.220 18096 527 1 1 . 1 1 97 97 ARG C C 97 175.776 175.776 174.560 1.216 18096 528 1 1 . 1 1 97 97 ARG CA C 97 56.230 56.230 57.013 -0.783 18096 529 1 1 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.573 0.457 18096 530 1 1 . 1 1 98 98 SER N N 98 118.439 118.439 114.963 3.476 18096 531 1 1 . 1 1 98 98 SER HA H 98 4.736 4.736 4.768 -0.032 18096 532 1 1 . 1 1 98 98 SER CA C 98 56.614 56.614 57.112 -0.498 18096 533 1 1 . 1 1 98 98 SER CB C 98 63.622 63.622 65.240 -1.618 18096 534 1 1 . 1 1 98 98 SER H H 98 8.250 8.250 8.303 -0.053 18096 535 1 1 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.472 -0.078 18096 536 1 1 . 1 1 99 99 PRO C C 99 176.879 176.879 176.549 0.330 18096 537 1 1 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.553 -0.856 18096 538 1 1 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.046 0.000 18096 539 1 1 . 1 1 100 100 GLU N N 100 120.297 120.297 118.044 2.253 18096 540 1 1 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.640 -0.341 18096 541 1 1 . 1 1 100 100 GLU C C 100 176.576 176.576 174.512 2.064 18096 542 1 1 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.372 1.095 18096 543 1 1 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.604 -1.660 18096 544 1 1 . 1 1 100 100 GLU H H 100 8.391 8.391 7.963 0.428 18096 545 1 1 . 1 1 101 101 THR N N 101 114.144 114.144 113.686 0.458 18096 546 1 1 . 1 1 101 101 THR HA H 101 4.280 4.280 4.454 -0.174 18096 547 1 1 . 1 1 101 101 THR C C 101 174.515 174.515 174.418 0.097 18096 548 1 1 . 1 1 101 101 THR CA C 101 61.975 61.975 61.343 0.632 18096 549 1 1 . 1 1 101 101 THR CB C 101 69.817 69.817 69.021 0.796 18096 550 1 1 . 1 1 101 101 THR H H 101 7.946 7.946 8.208 -0.262 18096 551 1 1 . 1 1 102 102 HIS N N 102 120.429 120.429 125.552 -5.123 18096 552 1 1 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.605 0.145 18096 553 1 1 . 1 1 102 102 HIS C C 102 174.764 174.764 175.208 -0.444 18096 554 1 1 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.455 0.231 18096 555 1 1 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.281 -1.036 18096 556 1 1 . 1 1 102 102 HIS H H 102 8.459 8.459 8.222 0.237 18096 557 1 1 . 1 1 103 103 THR N N 103 114.319 114.319 116.385 -2.066 18096 558 1 1 . 1 1 103 103 THR HA H 103 4.345 4.345 4.445 -0.100 18096 559 1 1 . 1 1 103 103 THR C C 103 175.087 175.087 174.987 0.100 18096 560 1 1 . 1 1 103 103 THR CA C 103 61.976 61.976 62.069 -0.093 18096 561 1 1 . 1 1 103 103 THR CB C 103 69.831 69.831 68.890 0.941 18096 562 1 1 . 1 1 103 103 THR H H 103 8.068 8.068 8.424 -0.356 18096 563 1 1 . 1 1 104 104 GLY N N 104 111.143 111.143 114.933 -3.790 18096 564 1 1 . 1 1 104 104 GLY C C 104 174.757 174.757 173.721 1.036 18096 565 1 1 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.057 1.545 18096 566 1 1 . 1 1 104 104 GLY H H 104 8.389 8.389 8.614 -0.225 18096 567 1 1 . 1 1 105 105 GLY N N 105 108.642 108.642 107.489 1.153 18096 568 1 1 . 1 1 105 105 GLY C C 105 174.892 174.892 173.995 0.897 18096 569 1 1 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.533 1.069 18096 570 1 1 . 1 1 105 105 GLY H H 105 8.272 8.272 8.067 0.205 18096 571 1 1 . 1 1 106 106 GLY N N 106 108.820 108.820 109.941 -1.121 18096 572 1 1 . 1 1 106 106 GLY C C 106 174.886 174.886 174.885 0.001 18096 573 1 1 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.378 0.224 18096 574 1 1 . 1 1 106 106 GLY H H 106 8.359 8.359 8.552 -0.193 18096 575 1 1 . 1 1 107 107 GLY N N 107 108.550 108.550 108.917 -0.367 18096 576 1 1 . 1 1 107 107 GLY C C 107 174.886 174.886 175.644 -0.758 18096 577 1 1 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.685 0.917 18096 578 1 1 . 1 1 107 107 GLY H H 107 8.338 8.338 8.365 -0.027 18096 579 1 1 . 1 1 108 108 GLY N N 108 108.519 108.519 108.037 0.482 18096 580 1 1 . 1 1 108 108 GLY C C 108 175.411 175.411 175.292 0.119 18096 581 1 1 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.424 1.383 18096 582 1 1 . 1 1 108 108 GLY H H 108 8.336 8.336 8.237 0.099 18096 583 1 1 . 1 1 109 109 ILE N N 109 120.914 120.914 121.722 -0.808 18096 584 1 1 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.873 0.103 18096 585 1 1 . 1 1 109 109 ILE C C 109 176.019 176.019 176.226 -0.207 18096 586 1 1 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.365 -1.438 18096 587 1 1 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.973 0.100 18096 588 1 1 . 1 1 109 109 ILE H H 109 8.233 8.233 8.015 0.218 18096 589 1 1 . 1 1 110 110 ASP N N 110 121.149 121.149 119.844 1.305 18096 590 1 1 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.525 -0.273 18096 591 1 1 . 1 1 110 110 ASP C C 110 177.648 177.648 178.717 -1.069 18096 592 1 1 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.810 -1.009 18096 593 1 1 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.283 -0.102 18096 594 1 1 . 1 1 110 110 ASP H H 110 8.369 8.369 8.663 -0.294 18096 595 1 1 . 1 1 111 111 ARG N N 111 119.198 119.198 120.039 -0.841 18096 596 1 1 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.206 -0.217 18096 597 1 1 . 1 1 111 111 ARG C C 111 177.502 177.502 178.768 -1.266 18096 598 1 1 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.516 0.204 18096 599 1 1 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.174 -0.071 18096 600 1 1 . 1 1 111 111 ARG H H 111 7.835 7.835 8.280 -0.445 18096 601 1 1 . 1 1 112 112 LEU N N 112 118.935 118.935 121.124 -2.189 18096 602 1 1 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.121 -0.118 18096 603 1 1 . 1 1 112 112 LEU C C 112 178.356 178.356 177.934 0.422 18096 604 1 1 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.783 -0.548 18096 605 1 1 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.136 -0.393 18096 606 1 1 . 1 1 112 112 LEU H H 112 7.783 7.783 8.249 -0.466 18096 607 1 1 . 1 1 113 113 PHE N N 113 116.117 116.117 119.132 -3.015 18096 608 1 1 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.198 -0.114 18096 609 1 1 . 1 1 113 113 PHE C C 113 177.092 177.092 177.101 -0.009 18096 610 1 1 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.028 1.364 18096 611 1 1 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.939 -0.048 18096 612 1 1 . 1 1 113 113 PHE H H 113 8.072 8.072 7.781 0.291 18096 613 1 1 . 1 1 114 114 LEU N N 114 118.710 118.710 120.331 -1.621 18096 614 1 1 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.460 0.541 18096 615 1 1 . 1 1 114 114 LEU C C 114 178.210 178.210 178.342 -0.132 18096 616 1 1 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.128 -0.619 18096 617 1 1 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.637 0.147 18096 618 1 1 . 1 1 114 114 LEU H H 114 7.881 7.881 7.584 0.297 18096 619 1 1 . 1 1 115 115 TRP N N 115 117.801 117.801 119.892 -2.091 18096 620 1 1 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.461 -0.179 18096 621 1 1 . 1 1 115 115 TRP C C 115 178.536 178.536 178.937 -0.401 18096 622 1 1 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.634 0.110 18096 623 1 1 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.902 -0.777 18096 624 1 1 . 1 1 115 115 TRP H H 115 7.925 7.925 7.702 0.223 18096 625 1 1 . 1 1 116 116 ILE N N 116 118.212 118.212 119.801 -1.589 18096 626 1 1 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.730 -0.036 18096 627 1 1 . 1 1 116 116 ILE C C 116 177.423 177.423 177.541 -0.118 18096 628 1 1 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.202 0.785 18096 629 1 1 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.739 0.412 18096 630 1 1 . 1 1 116 116 ILE H H 116 8.355 8.355 8.554 -0.199 18096 631 1 1 . 1 1 117 117 PHE N N 117 119.509 119.509 119.717 -0.208 18096 632 1 1 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.088 0.006 18096 633 1 1 . 1 1 117 117 PHE C C 117 177.389 177.389 176.868 0.521 18096 634 1 1 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.634 0.311 18096 635 1 1 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.359 -0.420 18096 636 1 1 . 1 1 117 117 PHE H H 117 8.419 8.419 7.403 1.016 18096 637 1 1 . 1 1 118 118 VAL N N 118 118.927 118.927 118.723 0.204 18096 638 1 1 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.669 -0.159 18096 639 1 1 . 1 1 118 118 VAL C C 118 177.452 177.452 178.405 -0.953 18096 640 1 1 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.475 0.965 18096 641 1 1 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.981 0.481 18096 642 1 1 . 1 1 118 118 VAL H H 118 8.509 8.509 7.589 0.920 18096 643 1 1 . 1 1 119 119 PHE N N 119 118.638 118.638 120.987 -2.349 18096 644 1 1 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.325 -0.285 18096 645 1 1 . 1 1 119 119 PHE C C 119 177.403 177.403 177.641 -0.238 18096 646 1 1 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.032 1.571 18096 647 1 1 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.887 0.258 18096 648 1 1 . 1 1 119 119 PHE H H 119 8.477 8.477 8.371 0.106 18096 649 1 1 . 1 1 120 120 VAL N N 120 118.660 118.660 118.878 -0.218 18096 650 1 1 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.696 -0.229 18096 651 1 1 . 1 1 120 120 VAL C C 120 177.851 177.851 177.781 0.070 18096 652 1 1 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.729 1.707 18096 653 1 1 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.604 0.055 18096 654 1 1 . 1 1 120 120 VAL H H 120 8.705 8.705 7.584 1.121 18096 655 1 1 . 1 1 121 121 CYS N N 121 117.055 117.055 118.880 -1.825 18096 656 1 1 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.221 -0.319 18096 657 1 1 . 1 1 121 121 CYS C C 121 177.629 177.629 176.374 1.255 18096 658 1 1 . 1 1 121 121 CYS CA C 121 64.339 64.339 63.197 1.142 18096 659 1 1 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.719 0.070 18096 660 1 1 . 1 1 121 121 CYS H H 121 7.981 7.981 8.028 -0.047 18096 661 1 1 . 1 1 122 122 VAL N N 122 120.422 120.422 121.591 -1.169 18096 662 1 1 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.713 -0.234 18096 663 1 1 . 1 1 122 122 VAL C C 122 176.923 176.923 178.441 -1.518 18096 664 1 1 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.642 0.619 18096 665 1 1 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.857 0.269 18096 666 1 1 . 1 1 122 122 VAL H H 122 8.487 8.487 7.792 0.695 18096 667 1 1 . 1 1 123 123 PHE N N 123 117.927 117.927 120.180 -2.253 18096 668 1 1 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.378 -0.344 18096 669 1 1 . 1 1 123 123 PHE C C 123 178.151 178.151 177.342 0.809 18096 670 1 1 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.373 0.722 18096 671 1 1 . 1 1 123 123 PHE CB C 123 38.637 38.637 39.234 -0.597 18096 672 1 1 . 1 1 123 123 PHE H H 123 8.630 8.630 7.976 0.654 18096 673 1 1 . 1 1 124 124 GLY N N 124 106.539 106.539 106.517 0.022 18096 674 1 1 . 1 1 124 124 GLY C C 124 174.290 174.290 175.794 -1.504 18096 675 1 1 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.356 0.195 18096 676 1 1 . 1 1 124 124 GLY H H 124 8.689 8.689 8.058 0.631 18096 677 1 1 . 1 1 125 125 THR N N 125 117.059 117.059 115.964 1.095 18096 678 1 1 . 1 1 125 125 THR HA H 125 3.649 3.649 3.920 -0.271 18096 679 1 1 . 1 1 125 125 THR C C 125 176.231 176.231 176.703 -0.472 18096 680 1 1 . 1 1 125 125 THR CA C 125 67.989 67.989 66.124 1.865 18096 681 1 1 . 1 1 125 125 THR H H 125 7.553 7.553 8.377 -0.824 18096 682 1 1 . 1 1 126 126 ILE N N 126 119.538 119.538 121.544 -2.006 18096 683 1 1 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.803 -0.155 18096 684 1 1 . 1 1 126 126 ILE C C 126 177.976 177.976 177.859 0.117 18096 685 1 1 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.995 1.720 18096 686 1 1 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.505 0.325 18096 687 1 1 . 1 1 126 126 ILE H H 126 8.003 8.003 7.521 0.482 18096 688 1 1 . 1 1 127 127 GLY N N 127 105.404 105.404 108.298 -2.894 18096 689 1 1 . 1 1 127 127 GLY C C 127 174.597 174.597 176.050 -1.453 18096 690 1 1 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.058 0.511 18096 691 1 1 . 1 1 127 127 GLY H H 127 8.438 8.438 7.944 0.494 18096 692 1 1 . 1 1 128 128 MET N N 128 117.893 117.893 118.264 -0.371 18096 693 1 1 . 1 1 128 128 MET HA H 128 4.153 4.153 4.410 -0.257 18096 694 1 1 . 1 1 128 128 MET C C 128 177.815 177.815 177.584 0.231 18096 695 1 1 . 1 1 128 128 MET CA C 128 58.198 58.198 57.710 0.488 18096 696 1 1 . 1 1 128 128 MET CB C 128 32.113 32.113 32.890 -0.777 18096 697 1 1 . 1 1 128 128 MET H H 128 7.821 7.821 7.543 0.278 18096 698 1 1 . 1 1 129 129 PHE N N 129 116.018 116.018 120.856 -4.838 18096 699 1 1 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.470 -0.336 18096 700 1 1 . 1 1 129 129 PHE C C 129 175.863 175.863 176.399 -0.536 18096 701 1 1 . 1 1 129 129 PHE CA C 129 59.815 59.815 59.854 -0.039 18096 702 1 1 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.854 -0.764 18096 703 1 1 . 1 1 129 129 PHE H H 129 7.797 7.797 7.730 0.067 18096 704 1 1 . 1 1 130 130 LEU N N 130 115.806 115.806 119.046 -3.240 18096 705 1 1 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.188 0.150 18096 706 1 1 . 1 1 130 130 LEU C C 130 177.219 177.219 176.961 0.258 18096 707 1 1 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.215 1.252 18096 708 1 1 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.417 1.007 18096 709 1 1 . 1 1 130 130 LEU H H 130 7.745 7.745 7.748 -0.003 18096 710 1 1 . 1 1 131 131 GLN N N 131 118.630 118.630 119.829 -1.199 18096 711 1 1 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.096 0.008 18096 712 1 1 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.068 2.251 18096 713 1 1 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.548 -0.727 18096 714 1 1 . 1 1 131 131 GLN H H 131 7.808 7.808 7.340 0.468 18096 715 1 1 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.406 -0.033 18096 716 1 1 . 1 1 132 132 PRO C C 132 177.739 177.739 176.994 0.745 18096 717 1 1 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.639 2.744 18096 718 1 1 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.106 -0.580 18096 719 1 1 . 1 1 133 133 LEU N N 133 115.632 115.632 116.555 -0.923 18096 720 1 1 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.173 -0.109 18096 721 1 1 . 1 1 133 133 LEU C C 133 176.918 176.918 176.104 0.814 18096 722 1 1 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.878 -0.477 18096 723 1 1 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.044 -0.055 18096 724 1 1 . 1 1 133 133 LEU H H 133 7.689 7.689 8.212 -0.523 18096 725 1 1 . 1 1 134 134 PHE N N 134 114.807 114.807 115.389 -0.582 18096 726 1 1 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.624 -0.095 18096 727 1 1 . 1 1 134 134 PHE C C 134 175.245 175.245 174.603 0.642 18096 728 1 1 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.205 0.533 18096 729 1 1 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.115 -0.506 18096 730 1 1 . 1 1 134 134 PHE H H 134 7.679 7.679 7.392 0.287 18096 731 1 1 . 1 1 135 135 GLN N N 135 118.318 118.318 118.142 0.176 18096 732 1 1 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.131 0.184 18096 733 1 1 . 1 1 135 135 GLN C C 135 175.361 175.361 175.805 -0.444 18096 734 1 1 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.648 -1.541 18096 735 1 1 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.095 0.771 18096 736 1 1 . 1 1 135 135 GLN H H 135 7.651 7.651 8.712 -1.061 18096 737 1 1 . 1 1 136 136 GLU N N 136 120.684 120.684 120.364 0.320 18096 738 1 1 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.523 -0.212 18096 739 1 1 . 1 1 136 136 GLU C C 136 175.153 175.153 175.748 -0.595 18096 740 1 1 . 1 1 136 136 GLU CA C 136 56.475 56.475 55.279 1.196 18096 741 1 1 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.258 1.974 18096 742 1 1 . 1 1 136 136 GLU H H 136 8.109 8.109 8.556 -0.447 18096 743 1 2 . 1 1 3 3 ALA N N 3 124.656 124.656 123.443 1.213 18096 744 1 2 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.794 -0.588 18096 745 1 2 . 1 1 3 3 ALA C C 3 178.133 178.133 177.263 0.870 18096 746 1 2 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.528 2.158 18096 747 1 2 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.648 -1.565 18096 748 1 2 . 1 1 3 3 ALA H H 3 8.402 8.402 8.451 -0.049 18096 749 1 2 . 1 1 4 4 GLU N N 4 117.439 117.439 122.073 -4.634 18096 750 1 2 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.551 -0.422 18096 751 1 2 . 1 1 4 4 GLU C C 4 176.534 176.534 176.369 0.165 18096 752 1 2 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.404 1.020 18096 753 1 2 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.454 -0.570 18096 754 1 2 . 1 1 4 4 GLU H H 4 8.219 8.219 9.113 -0.894 18096 755 1 2 . 1 1 5 5 GLU N N 5 118.815 118.815 119.762 -0.947 18096 756 1 2 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.105 0.106 18096 757 1 2 . 1 1 5 5 GLU C C 5 176.604 176.604 177.690 -1.086 18096 758 1 2 . 1 1 5 5 GLU CA C 5 56.951 56.951 58.239 -1.288 18096 759 1 2 . 1 1 5 5 GLU CB C 5 29.962 29.962 30.123 -0.162 18096 760 1 2 . 1 1 5 5 GLU H H 5 7.992 7.992 8.554 -0.562 18096 761 1 2 . 1 1 6 6 GLU N N 6 121.446 121.446 122.532 -1.086 18096 762 1 2 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.156 0.028 18096 763 1 2 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.404 -2.983 18096 764 1 2 . 1 1 6 6 GLU CB C 6 28.983 28.983 27.925 1.058 18096 765 1 2 . 1 1 6 6 GLU H H 6 8.148 8.148 8.888 -0.740 18096 766 1 2 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.443 -0.180 18096 767 1 2 . 1 1 7 7 PRO C C 7 178.717 178.717 178.453 0.264 18096 768 1 2 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.129 0.400 18096 769 1 2 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.574 -0.251 18096 770 1 2 . 1 1 8 8 LEU N N 8 119.642 119.642 119.385 0.257 18096 771 1 2 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.169 -0.217 18096 772 1 2 . 1 1 8 8 LEU C C 8 177.905 177.905 178.330 -0.425 18096 773 1 2 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.183 0.748 18096 774 1 2 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.928 -0.155 18096 775 1 2 . 1 1 8 8 LEU H H 8 8.222 8.222 7.684 0.538 18096 776 1 2 . 1 1 9 9 PHE N N 9 118.625 118.625 120.102 -1.477 18096 777 1 2 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.084 0.088 18096 778 1 2 . 1 1 9 9 PHE C C 9 177.620 177.620 176.652 0.968 18096 779 1 2 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.370 -0.298 18096 780 1 2 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.050 -0.212 18096 781 1 2 . 1 1 9 9 PHE H H 9 8.071 8.071 8.054 0.017 18096 782 1 2 . 1 1 10 10 TYR N N 10 117.829 117.829 118.983 -1.154 18096 783 1 2 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.159 0.031 18096 784 1 2 . 1 1 10 10 TYR C C 10 177.743 177.743 177.330 0.413 18096 785 1 2 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.247 -1.038 18096 786 1 2 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.993 -0.278 18096 787 1 2 . 1 1 10 10 TYR H H 10 8.204 8.204 7.946 0.258 18096 788 1 2 . 1 1 11 11 THR N N 11 115.545 115.545 114.822 0.723 18096 789 1 2 . 1 1 11 11 THR HA H 11 3.875 3.875 3.957 -0.082 18096 790 1 2 . 1 1 11 11 THR C C 11 175.937 175.937 176.880 -0.943 18096 791 1 2 . 1 1 11 11 THR CA C 11 67.187 67.187 65.865 1.322 18096 792 1 2 . 1 1 11 11 THR CB C 11 68.579 68.579 68.678 -0.099 18096 793 1 2 . 1 1 11 11 THR H H 11 7.934 7.934 8.039 -0.105 18096 794 1 2 . 1 1 12 12 ILE N N 12 120.096 120.096 120.160 -0.064 18096 795 1 2 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.714 -0.032 18096 796 1 2 . 1 1 12 12 ILE C C 12 175.863 175.863 177.391 -1.528 18096 797 1 2 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.903 -0.082 18096 798 1 2 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.870 1.086 18096 799 1 2 . 1 1 12 12 ILE H H 12 8.172 8.172 8.141 0.031 18096 800 1 2 . 1 1 13 13 ASN N N 13 114.444 114.444 117.112 -2.668 18096 801 1 2 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.362 0.031 18096 802 1 2 . 1 1 13 13 ASN C C 13 174.880 174.880 176.313 -1.433 18096 803 1 2 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.314 -0.057 18096 804 1 2 . 1 1 13 13 ASN CB C 13 39.546 39.546 37.971 1.575 18096 805 1 2 . 1 1 13 13 ASN H H 13 7.731 7.731 7.471 0.260 18096 806 1 2 . 1 1 14 14 LEU N N 14 115.306 115.306 119.040 -3.734 18096 807 1 2 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.934 0.412 18096 808 1 2 . 1 1 14 14 LEU C C 14 177.427 177.427 177.670 -0.243 18096 809 1 2 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.373 -0.003 18096 810 1 2 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.405 -0.639 18096 811 1 2 . 1 1 14 14 LEU H H 14 7.381 7.381 7.250 0.131 18096 812 1 2 . 1 1 15 15 ILE N N 15 117.935 117.935 119.380 -1.445 18096 813 1 2 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.689 -0.091 18096 814 1 2 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.350 3.102 18096 815 1 2 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.739 0.942 18096 816 1 2 . 1 1 15 15 ILE H H 15 8.135 8.135 7.383 0.752 18096 817 1 2 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.317 -0.271 18096 818 1 2 . 1 1 17 17 PRO C C 17 177.518 177.518 178.808 -1.290 18096 819 1 2 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.476 1.169 18096 820 1 2 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.900 0.066 18096 821 1 2 . 1 1 18 18 CYS N N 18 113.411 113.411 118.000 -4.589 18096 822 1 2 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.005 -0.054 18096 823 1 2 . 1 1 18 18 CYS C C 18 177.617 177.617 176.884 0.733 18096 824 1 2 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.073 1.415 18096 825 1 2 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.547 -0.779 18096 826 1 2 . 1 1 18 18 CYS H H 18 7.338 7.338 7.399 -0.061 18096 827 1 2 . 1 1 19 19 VAL N N 19 121.720 121.720 117.209 4.511 18096 828 1 2 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.861 -0.340 18096 829 1 2 . 1 1 19 19 VAL C C 19 178.069 178.069 177.341 0.728 18096 830 1 2 . 1 1 19 19 VAL CA C 19 67.065 67.065 64.936 2.129 18096 831 1 2 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.434 0.318 18096 832 1 2 . 1 1 19 19 VAL H H 19 8.587 8.587 7.706 0.881 18096 833 1 2 . 1 1 20 20 LEU N N 20 121.731 121.731 122.536 -0.805 18096 834 1 2 . 1 1 20 20 LEU HA H 20 4.021 4.021 4.044 -0.023 18096 835 1 2 . 1 1 20 20 LEU C C 20 177.989 177.989 178.762 -0.773 18096 836 1 2 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.031 0.619 18096 837 1 2 . 1 1 20 20 LEU CB C 20 41.934 41.934 42.140 -0.206 18096 838 1 2 . 1 1 20 20 LEU H H 20 8.344 8.344 7.256 1.088 18096 839 1 2 . 1 1 21 21 ILE N N 21 117.403 117.403 118.533 -1.130 18096 840 1 2 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.598 0.071 18096 841 1 2 . 1 1 21 21 ILE C C 21 176.947 176.947 177.983 -1.036 18096 842 1 2 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.642 -0.286 18096 843 1 2 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.893 0.025 18096 844 1 2 . 1 1 21 21 ILE H H 21 8.371 8.371 8.610 -0.239 18096 845 1 2 . 1 1 22 22 THR N N 22 115.544 115.544 116.309 -0.765 18096 846 1 2 . 1 1 22 22 THR HA H 22 3.681 3.681 3.954 -0.273 18096 847 1 2 . 1 1 22 22 THR C C 22 176.073 176.073 176.489 -0.416 18096 848 1 2 . 1 1 22 22 THR CA C 22 68.152 68.152 67.260 0.892 18096 849 1 2 . 1 1 22 22 THR CB C 22 68.428 68.428 68.522 -0.093 18096 850 1 2 . 1 1 22 22 THR H H 22 7.829 7.829 7.643 0.186 18096 851 1 2 . 1 1 23 23 SER N N 23 116.192 116.192 118.081 -1.889 18096 852 1 2 . 1 1 23 23 SER HA H 23 4.023 4.023 4.082 -0.059 18096 853 1 2 . 1 1 23 23 SER C C 23 175.279 175.279 176.632 -1.353 18096 854 1 2 . 1 1 23 23 SER CA C 23 63.884 63.884 61.821 2.063 18096 855 1 2 . 1 1 23 23 SER CB C 23 62.971 62.971 62.830 0.141 18096 856 1 2 . 1 1 23 23 SER H H 23 8.069 8.069 7.935 0.134 18096 857 1 2 . 1 1 24 24 LEU N N 24 120.855 120.855 123.015 -2.160 18096 858 1 2 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.023 -0.042 18096 859 1 2 . 1 1 24 24 LEU C C 24 177.542 177.542 178.458 -0.916 18096 860 1 2 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.663 0.373 18096 861 1 2 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.650 0.291 18096 862 1 2 . 1 1 24 24 LEU H H 24 7.858 7.858 7.555 0.303 18096 863 1 2 . 1 1 25 25 ALA N N 25 119.507 119.507 121.002 -1.495 18096 864 1 2 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.110 -0.170 18096 865 1 2 . 1 1 25 25 ALA C C 25 177.915 177.915 179.832 -1.917 18096 866 1 2 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.958 0.654 18096 867 1 2 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.510 -0.259 18096 868 1 2 . 1 1 25 25 ALA H H 25 8.141 8.141 7.679 0.462 18096 869 1 2 . 1 1 26 26 ILE N N 26 115.689 115.689 119.154 -3.465 18096 870 1 2 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.716 0.082 18096 871 1 2 . 1 1 26 26 ILE C C 26 177.729 177.729 177.853 -0.124 18096 872 1 2 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.993 0.347 18096 873 1 2 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.866 -0.036 18096 874 1 2 . 1 1 26 26 ILE H H 26 8.012 8.012 7.638 0.374 18096 875 1 2 . 1 1 27 27 LEU N N 27 118.567 118.567 120.656 -2.089 18096 876 1 2 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.908 0.098 18096 877 1 2 . 1 1 27 27 LEU C C 27 178.364 178.364 179.084 -0.720 18096 878 1 2 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.531 0.206 18096 879 1 2 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.885 -0.048 18096 880 1 2 . 1 1 27 27 LEU H H 27 8.045 8.045 7.935 0.110 18096 881 1 2 . 1 1 28 28 VAL N N 28 113.720 113.720 117.304 -3.584 18096 882 1 2 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.701 -0.126 18096 883 1 2 . 1 1 28 28 VAL C C 28 177.809 177.809 177.789 0.020 18096 884 1 2 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.009 0.004 18096 885 1 2 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.439 0.611 18096 886 1 2 . 1 1 28 28 VAL H H 28 8.008 8.008 7.548 0.460 18096 887 1 2 . 1 1 29 29 PHE N N 29 115.458 115.458 116.927 -1.469 18096 888 1 2 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.284 -0.075 18096 889 1 2 . 1 1 29 29 PHE C C 29 176.366 176.366 177.778 -1.412 18096 890 1 2 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.563 -0.705 18096 891 1 2 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.810 -0.213 18096 892 1 2 . 1 1 29 29 PHE H H 29 7.915 7.915 7.494 0.421 18096 893 1 2 . 1 1 30 30 TYR N N 30 115.649 115.649 116.518 -0.869 18096 894 1 2 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.542 -0.301 18096 895 1 2 . 1 1 30 30 TYR C C 30 175.388 175.388 176.106 -0.718 18096 896 1 2 . 1 1 30 30 TYR CA C 30 59.386 59.386 58.724 0.662 18096 897 1 2 . 1 1 30 30 TYR CB C 30 39.640 39.640 38.712 0.928 18096 898 1 2 . 1 1 30 30 TYR H H 30 8.002 8.002 7.820 0.182 18096 899 1 2 . 1 1 31 31 LEU N N 31 121.144 121.144 120.132 1.012 18096 900 1 2 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.742 -0.294 18096 901 1 2 . 1 1 31 31 LEU CA C 31 54.149 54.149 51.336 2.813 18096 902 1 2 . 1 1 31 31 LEU CB C 31 42.336 42.336 44.011 -1.675 18096 903 1 2 . 1 1 31 31 LEU H H 31 7.514 7.514 7.582 -0.068 18096 904 1 2 . 1 1 32 32 PRO C C 32 176.530 176.530 176.004 0.526 18096 905 1 2 . 1 1 33 33 SER N N 33 115.448 115.448 119.517 -4.069 18096 906 1 2 . 1 1 33 33 SER HA H 33 4.317 4.317 4.645 -0.328 18096 907 1 2 . 1 1 33 33 SER C C 33 174.174 174.174 173.398 0.776 18096 908 1 2 . 1 1 33 33 SER CA C 33 59.954 59.954 58.508 1.446 18096 909 1 2 . 1 1 33 33 SER H H 33 8.370 8.370 8.060 0.310 18096 910 1 2 . 1 1 34 34 ASP N N 34 119.694 119.694 125.967 -6.273 18096 911 1 2 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.716 -0.131 18096 912 1 2 . 1 1 34 34 ASP C C 34 175.971 175.971 176.549 -0.578 18096 913 1 2 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.245 0.197 18096 914 1 2 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.910 0.330 18096 915 1 2 . 1 1 34 34 ASP H H 34 8.209 8.209 8.596 -0.387 18096 916 1 2 . 1 1 35 35 CYS N N 35 114.872 114.872 118.642 -3.770 18096 917 1 2 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.356 -0.153 18096 918 1 2 . 1 1 35 35 CYS C C 35 175.147 175.147 176.187 -1.040 18096 919 1 2 . 1 1 35 35 CYS CA C 35 61.121 61.121 60.087 1.034 18096 920 1 2 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.719 -0.833 18096 921 1 2 . 1 1 35 35 CYS H H 35 7.750 7.750 8.092 -0.342 18096 922 1 2 . 1 1 36 36 GLY N N 36 110.059 110.059 107.499 2.560 18096 923 1 2 . 1 1 36 36 GLY C C 36 174.391 174.391 175.026 -0.635 18096 924 1 2 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.927 1.360 18096 925 1 2 . 1 1 36 36 GLY H H 36 8.357 8.357 7.849 0.508 18096 926 1 2 . 1 1 37 37 GLU N N 37 121.785 121.785 121.417 0.368 18096 927 1 2 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.922 0.144 18096 928 1 2 . 1 1 37 37 GLU C C 37 176.536 176.536 177.902 -1.366 18096 929 1 2 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.145 -0.619 18096 930 1 2 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.512 0.218 18096 931 1 2 . 1 1 37 37 GLU H H 37 8.359 8.359 8.755 -0.396 18096 932 1 2 . 1 1 38 38 LYS N N 38 123.927 123.927 119.007 4.920 18096 933 1 2 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.988 0.135 18096 934 1 2 . 1 1 38 38 LYS C C 38 177.544 177.544 179.313 -1.769 18096 935 1 2 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.160 -0.591 18096 936 1 2 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.738 -0.061 18096 937 1 2 . 1 1 38 38 LYS H H 38 8.226 8.226 8.275 -0.049 18096 938 1 2 . 1 1 39 39 MET N N 39 117.932 117.932 118.474 -0.542 18096 939 1 2 . 1 1 39 39 MET HA H 39 4.135 4.135 4.137 -0.002 18096 940 1 2 . 1 1 39 39 MET C C 39 178.602 178.602 178.455 0.147 18096 941 1 2 . 1 1 39 39 MET CA C 39 58.851 58.851 59.148 -0.297 18096 942 1 2 . 1 1 39 39 MET CB C 39 32.220 32.220 32.409 -0.189 18096 943 1 2 . 1 1 39 39 MET H H 39 8.262 8.262 7.685 0.577 18096 944 1 2 . 1 1 40 40 THR N N 40 117.201 117.201 116.155 1.046 18096 945 1 2 . 1 1 40 40 THR HA H 40 3.673 3.673 3.985 -0.312 18096 946 1 2 . 1 1 40 40 THR C C 40 175.927 175.927 176.847 -0.920 18096 947 1 2 . 1 1 40 40 THR CA C 40 67.352 67.352 66.460 0.892 18096 948 1 2 . 1 1 40 40 THR H H 40 8.341 8.341 7.669 0.672 18096 949 1 2 . 1 1 41 41 LEU N N 41 120.040 120.040 122.608 -2.568 18096 950 1 2 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.211 -0.159 18096 951 1 2 . 1 1 41 41 LEU C C 41 177.809 177.809 177.747 0.062 18096 952 1 2 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.512 0.875 18096 953 1 2 . 1 1 41 41 LEU H H 41 8.181 8.181 7.758 0.423 18096 954 1 2 . 1 1 42 42 CYS N N 42 117.556 117.556 119.135 -1.579 18096 955 1 2 . 1 1 42 42 CYS HA H 42 3.952 3.952 3.995 -0.043 18096 956 1 2 . 1 1 42 42 CYS C C 42 176.460 176.460 176.906 -0.446 18096 957 1 2 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.253 1.243 18096 958 1 2 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.353 -0.520 18096 959 1 2 . 1 1 42 42 CYS H H 42 7.949 7.949 7.765 0.184 18096 960 1 2 . 1 1 43 43 ILE N N 43 117.336 117.336 120.018 -2.682 18096 961 1 2 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.615 0.014 18096 962 1 2 . 1 1 43 43 ILE C C 43 177.256 177.256 177.697 -0.441 18096 963 1 2 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.142 -0.067 18096 964 1 2 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.873 0.070 18096 965 1 2 . 1 1 43 43 ILE H H 43 8.347 8.347 7.619 0.728 18096 966 1 2 . 1 1 44 44 SER N N 44 116.243 116.243 116.831 -0.588 18096 967 1 2 . 1 1 44 44 SER HA H 44 4.083 4.083 4.117 -0.034 18096 968 1 2 . 1 1 44 44 SER C C 44 176.305 176.305 176.648 -0.343 18096 969 1 2 . 1 1 44 44 SER CA C 44 63.348 63.348 62.005 1.343 18096 970 1 2 . 1 1 44 44 SER CB C 44 62.954 62.954 63.040 -0.086 18096 971 1 2 . 1 1 44 44 SER H H 44 8.064 8.064 7.460 0.604 18096 972 1 2 . 1 1 45 45 VAL N N 45 120.333 120.333 121.443 -1.110 18096 973 1 2 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.739 -0.223 18096 974 1 2 . 1 1 45 45 VAL C C 45 177.247 177.247 177.971 -0.724 18096 975 1 2 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.681 0.257 18096 976 1 2 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.446 0.314 18096 977 1 2 . 1 1 45 45 VAL H H 45 8.036 8.036 8.268 -0.232 18096 978 1 2 . 1 1 46 46 LEU N N 46 119.430 119.430 120.428 -0.998 18096 979 1 2 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.099 -0.151 18096 980 1 2 . 1 1 46 46 LEU C C 46 180.032 180.032 178.849 1.183 18096 981 1 2 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.983 0.543 18096 982 1 2 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.983 0.002 18096 983 1 2 . 1 1 46 46 LEU H H 46 7.959 7.959 7.464 0.495 18096 984 1 2 . 1 1 47 47 LEU N N 47 121.110 121.110 121.034 0.076 18096 985 1 2 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.084 -0.086 18096 986 1 2 . 1 1 47 47 LEU C C 47 177.985 177.985 179.298 -1.313 18096 987 1 2 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.686 0.753 18096 988 1 2 . 1 1 47 47 LEU CB C 47 42.046 42.046 40.715 1.331 18096 989 1 2 . 1 1 47 47 LEU H H 47 8.695 8.695 8.247 0.448 18096 990 1 2 . 1 1 48 48 ALA N N 48 121.251 121.251 121.401 -0.150 18096 991 1 2 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.020 -0.175 18096 992 1 2 . 1 1 48 48 ALA C C 48 178.834 178.834 179.776 -0.942 18096 993 1 2 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.141 0.568 18096 994 1 2 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.277 -0.144 18096 995 1 2 . 1 1 48 48 ALA H H 48 8.272 8.272 8.127 0.145 18096 996 1 2 . 1 1 49 49 LEU N N 49 116.290 116.290 118.855 -2.565 18096 997 1 2 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.166 -0.169 18096 998 1 2 . 1 1 49 49 LEU C C 49 178.068 178.068 178.656 -0.588 18096 999 1 2 . 1 1 49 49 LEU CA C 49 58.308 58.308 58.060 0.247 18096 1000 1 2 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.906 0.040 18096 1001 1 2 . 1 1 49 49 LEU H H 49 8.526 8.526 7.637 0.889 18096 1002 1 2 . 1 1 50 50 THR N N 50 115.495 115.495 115.586 -0.091 18096 1003 1 2 . 1 1 50 50 THR HA H 50 3.692 3.692 3.944 -0.252 18096 1004 1 2 . 1 1 50 50 THR C C 50 176.061 176.061 177.014 -0.953 18096 1005 1 2 . 1 1 50 50 THR CA C 50 68.786 68.786 66.457 2.329 18096 1006 1 2 . 1 1 50 50 THR H H 50 7.996 7.996 8.003 -0.007 18096 1007 1 2 . 1 1 51 51 VAL N N 51 119.977 119.977 122.817 -2.840 18096 1008 1 2 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.657 -0.161 18096 1009 1 2 . 1 1 51 51 VAL C C 51 177.063 177.063 177.893 -0.830 18096 1010 1 2 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.642 0.721 18096 1011 1 2 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.268 0.350 18096 1012 1 2 . 1 1 51 51 VAL H H 51 8.145 8.145 7.498 0.647 18096 1013 1 2 . 1 1 52 52 PHE N N 52 118.836 118.836 118.609 0.227 18096 1014 1 2 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.261 -0.159 18096 1015 1 2 . 1 1 52 52 PHE C C 52 176.721 176.721 177.874 -1.153 18096 1016 1 2 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.860 -0.221 18096 1017 1 2 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.597 0.732 18096 1018 1 2 . 1 1 52 52 PHE H H 52 8.354 8.354 7.495 0.859 18096 1019 1 2 . 1 1 53 53 LEU N N 53 117.271 117.271 121.119 -3.848 18096 1020 1 2 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.072 -0.200 18096 1021 1 2 . 1 1 53 53 LEU C C 53 179.184 179.184 178.444 0.740 18096 1022 1 2 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.605 -0.748 18096 1023 1 2 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.697 0.298 18096 1024 1 2 . 1 1 53 53 LEU H H 53 8.438 8.438 8.735 -0.297 18096 1025 1 2 . 1 1 54 54 LEU N N 54 119.310 119.310 119.081 0.229 18096 1026 1 2 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.996 0.011 18096 1027 1 2 . 1 1 54 54 LEU C C 54 179.224 179.224 178.826 0.398 18096 1028 1 2 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.070 0.018 18096 1029 1 2 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.646 0.383 18096 1030 1 2 . 1 1 54 54 LEU H H 54 8.147 8.147 8.004 0.143 18096 1031 1 2 . 1 1 55 55 LEU N N 55 118.400 118.400 120.215 -1.815 18096 1032 1 2 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.905 0.195 18096 1033 1 2 . 1 1 55 55 LEU C C 55 178.974 178.974 179.110 -0.136 18096 1034 1 2 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.467 -0.606 18096 1035 1 2 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.076 -0.104 18096 1036 1 2 . 1 1 55 55 LEU H H 55 8.096 8.096 7.479 0.617 18096 1037 1 2 . 1 1 56 56 ILE N N 56 115.919 115.919 118.608 -2.689 18096 1038 1 2 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.624 0.232 18096 1039 1 2 . 1 1 56 56 ILE C C 56 176.763 176.763 178.541 -1.778 18096 1040 1 2 . 1 1 56 56 ILE CA C 56 63.511 63.511 65.101 -1.590 18096 1041 1 2 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.824 -0.135 18096 1042 1 2 . 1 1 56 56 ILE H H 56 8.028 8.028 8.148 -0.120 18096 1043 1 2 . 1 1 57 57 SER N N 57 114.862 114.862 114.869 -0.007 18096 1044 1 2 . 1 1 57 57 SER HA H 57 4.178 4.178 4.191 -0.013 18096 1045 1 2 . 1 1 57 57 SER C C 57 175.258 175.258 176.037 -0.779 18096 1046 1 2 . 1 1 57 57 SER CA C 57 60.946 60.946 61.344 -0.398 18096 1047 1 2 . 1 1 57 57 SER CB C 57 63.558 63.558 63.058 0.500 18096 1048 1 2 . 1 1 57 57 SER H H 57 7.689 7.689 8.088 -0.399 18096 1049 1 2 . 1 1 58 58 LYS N N 58 118.080 118.080 120.447 -2.367 18096 1050 1 2 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.165 0.122 18096 1051 1 2 . 1 1 58 58 LYS C C 58 176.668 176.668 176.193 0.475 18096 1052 1 2 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.150 -1.043 18096 1053 1 2 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.055 -0.991 18096 1054 1 2 . 1 1 58 58 LYS H H 58 7.595 7.595 7.463 0.132 18096 1055 1 2 . 1 1 59 59 ILE N N 59 116.926 116.926 117.658 -0.732 18096 1056 1 2 . 1 1 59 59 ILE HA H 59 4.034 4.034 3.962 0.072 18096 1057 1 2 . 1 1 59 59 ILE C C 59 175.226 175.226 174.791 0.435 18096 1058 1 2 . 1 1 59 59 ILE CA C 59 62.384 62.384 62.129 0.255 18096 1059 1 2 . 1 1 59 59 ILE CB C 59 38.073 38.073 37.431 0.642 18096 1060 1 2 . 1 1 59 59 ILE H H 59 7.706 7.706 7.208 0.498 18096 1061 1 2 . 1 1 60 60 VAL N N 60 119.235 119.235 121.487 -2.252 18096 1062 1 2 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.522 -0.196 18096 1063 1 2 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.073 -0.326 18096 1064 1 2 . 1 1 60 60 VAL CB C 60 32.266 32.266 32.289 -0.023 18096 1065 1 2 . 1 1 60 60 VAL H H 60 7.586 7.586 7.927 -0.341 18096 1066 1 2 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.326 0.318 18096 1067 1 2 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.374 0.147 18096 1068 1 2 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.546 -0.410 18096 1069 1 2 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.425 0.066 18096 1070 1 2 . 1 1 62 62 PRO C C 62 176.912 176.912 176.036 0.876 18096 1071 1 2 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.078 -0.835 18096 1072 1 2 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.160 -0.282 18096 1073 1 2 . 1 1 63 63 THR N N 63 111.607 111.607 109.511 2.096 18096 1074 1 2 . 1 1 63 63 THR HA H 63 4.447 4.447 4.361 0.086 18096 1075 1 2 . 1 1 63 63 THR C C 63 174.725 174.725 173.622 1.103 18096 1076 1 2 . 1 1 63 63 THR CA C 63 61.245 61.245 60.514 0.731 18096 1077 1 2 . 1 1 63 63 THR CB C 63 69.807 69.807 70.254 -0.447 18096 1078 1 2 . 1 1 63 63 THR H H 63 7.915 7.915 7.456 0.459 18096 1079 1 2 . 1 1 64 64 SER N N 64 116.516 116.516 123.509 -6.993 18096 1080 1 2 . 1 1 64 64 SER HA H 64 4.411 4.411 4.393 0.018 18096 1081 1 2 . 1 1 64 64 SER C C 64 174.580 174.580 174.154 0.426 18096 1082 1 2 . 1 1 64 64 SER CA C 64 58.608 58.608 59.581 -0.973 18096 1083 1 2 . 1 1 64 64 SER CB C 64 63.742 63.742 63.008 0.735 18096 1084 1 2 . 1 1 64 64 SER H H 64 8.127 8.127 8.570 -0.443 18096 1085 1 2 . 1 1 65 65 SER N N 65 116.921 116.921 120.937 -4.016 18096 1086 1 2 . 1 1 65 65 SER HA H 65 4.453 4.453 4.875 -0.422 18096 1087 1 2 . 1 1 65 65 SER C C 65 174.100 174.100 173.536 0.564 18096 1088 1 2 . 1 1 65 65 SER CA C 65 58.584 58.584 57.462 1.122 18096 1089 1 2 . 1 1 65 65 SER CB C 65 63.668 63.668 65.541 -1.873 18096 1090 1 2 . 1 1 65 65 SER H H 65 8.169 8.169 8.069 0.101 18096 1091 1 2 . 1 1 66 66 ASP N N 66 120.478 120.478 120.973 -0.495 18096 1092 1 2 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.863 -0.239 18096 1093 1 2 . 1 1 66 66 ASP C C 66 175.730 175.730 175.040 0.690 18096 1094 1 2 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.467 -0.222 18096 1095 1 2 . 1 1 66 66 ASP CB C 66 41.195 41.195 40.913 0.282 18096 1096 1 2 . 1 1 66 66 ASP H H 66 8.154 8.154 8.566 -0.412 18096 1097 1 2 . 1 1 67 67 SER N N 67 115.159 115.159 116.480 -1.321 18096 1098 1 2 . 1 1 67 67 SER HA H 67 4.528 4.528 4.801 -0.273 18096 1099 1 2 . 1 1 67 67 SER CA C 67 56.493 56.493 57.061 -0.568 18096 1100 1 2 . 1 1 67 67 SER CB C 67 63.604 63.604 64.176 -0.572 18096 1101 1 2 . 1 1 67 67 SER H H 67 7.930 7.930 7.684 0.246 18096 1102 1 2 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.555 -0.160 18096 1103 1 2 . 1 1 68 68 PRO C C 68 176.652 176.652 176.213 0.439 18096 1104 1 2 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.876 0.717 18096 1105 1 2 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.238 -0.886 18096 1106 1 2 . 1 1 69 69 SER N N 69 115.859 115.859 117.034 -1.175 18096 1107 1 2 . 1 1 69 69 SER HA H 69 4.436 4.436 4.731 -0.295 18096 1108 1 2 . 1 1 69 69 SER C C 69 174.611 174.611 175.624 -1.013 18096 1109 1 2 . 1 1 69 69 SER CA C 69 58.264 58.264 57.691 0.574 18096 1110 1 2 . 1 1 69 69 SER CB C 69 63.919 63.919 64.073 -0.154 18096 1111 1 2 . 1 1 69 69 SER H H 69 8.256 8.256 8.196 0.060 18096 1112 1 2 . 1 1 70 70 VAL N N 70 117.241 117.241 120.922 -3.681 18096 1113 1 2 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.100 -0.298 18096 1114 1 2 . 1 1 70 70 VAL C C 70 177.772 177.772 177.517 0.255 18096 1115 1 2 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.506 2.138 18096 1116 1 2 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.114 0.781 18096 1117 1 2 . 1 1 70 70 VAL H H 70 8.211 8.211 7.954 0.257 18096 1118 1 2 . 1 1 71 71 GLY N N 71 106.999 106.999 107.211 -0.212 18096 1119 1 2 . 1 1 71 71 GLY C C 71 175.551 175.551 176.083 -0.532 18096 1120 1 2 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.833 0.412 18096 1121 1 2 . 1 1 71 71 GLY H H 71 8.566 8.566 8.424 0.142 18096 1122 1 2 . 1 1 72 72 GLU N N 72 121.376 121.376 122.842 -1.466 18096 1123 1 2 . 1 1 72 72 GLU HA H 72 3.889 3.889 4.011 -0.122 18096 1124 1 2 . 1 1 72 72 GLU C C 72 178.495 178.495 178.785 -0.290 18096 1125 1 2 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.635 0.483 18096 1126 1 2 . 1 1 72 72 GLU CB C 72 29.590 29.590 28.942 0.648 18096 1127 1 2 . 1 1 72 72 GLU H H 72 7.919 7.919 7.486 0.433 18096 1128 1 2 . 1 1 73 73 TYR N N 73 117.643 117.643 117.643 0.000 18096 1129 1 2 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.307 -0.245 18096 1130 1 2 . 1 1 73 73 TYR C C 73 179.921 179.921 178.642 1.279 18096 1131 1 2 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.778 2.352 18096 1132 1 2 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.690 1.227 18096 1133 1 2 . 1 1 73 73 TYR H H 73 8.095 8.095 7.022 1.073 18096 1134 1 2 . 1 1 74 74 LEU N N 74 121.712 121.712 121.015 0.697 18096 1135 1 2 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.062 0.001 18096 1136 1 2 . 1 1 74 74 LEU C C 74 178.385 178.385 178.608 -0.223 18096 1137 1 2 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.516 0.958 18096 1138 1 2 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.575 0.363 18096 1139 1 2 . 1 1 74 74 LEU H H 74 8.615 8.615 7.834 0.781 18096 1140 1 2 . 1 1 75 75 MET N N 75 119.087 119.087 119.399 -0.312 18096 1141 1 2 . 1 1 75 75 MET HA H 75 4.056 4.056 4.079 -0.023 18096 1142 1 2 . 1 1 75 75 MET C C 75 177.851 177.851 178.521 -0.670 18096 1143 1 2 . 1 1 75 75 MET CA C 75 59.166 59.166 58.973 0.193 18096 1144 1 2 . 1 1 75 75 MET CB C 75 32.093 32.093 32.334 -0.241 18096 1145 1 2 . 1 1 75 75 MET H H 75 8.362 8.362 8.010 0.352 18096 1146 1 2 . 1 1 76 76 PHE N N 76 117.788 117.788 117.675 0.113 18096 1147 1 2 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.303 -0.198 18096 1148 1 2 . 1 1 76 76 PHE C C 76 177.305 177.305 177.450 -0.145 18096 1149 1 2 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.481 -0.105 18096 1150 1 2 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.943 0.018 18096 1151 1 2 . 1 1 76 76 PHE H H 76 8.471 8.471 7.955 0.516 18096 1152 1 2 . 1 1 77 77 THR N N 77 115.298 115.298 116.875 -1.577 18096 1153 1 2 . 1 1 77 77 THR HA H 77 3.673 3.673 4.073 -0.400 18096 1154 1 2 . 1 1 77 77 THR C C 77 176.057 176.057 176.344 -0.287 18096 1155 1 2 . 1 1 77 77 THR CA C 77 68.423 68.423 67.078 1.345 18096 1156 1 2 . 1 1 77 77 THR CB C 77 68.204 68.204 68.752 -0.548 18096 1157 1 2 . 1 1 77 77 THR H H 77 8.179 8.179 8.139 0.040 18096 1158 1 2 . 1 1 78 78 MET N N 78 119.204 119.204 120.201 -0.997 18096 1159 1 2 . 1 1 78 78 MET HA H 78 4.092 4.092 4.238 -0.146 18096 1160 1 2 . 1 1 78 78 MET C C 78 179.421 179.421 178.552 0.869 18096 1161 1 2 . 1 1 78 78 MET CA C 78 58.810 58.810 59.169 -0.359 18096 1162 1 2 . 1 1 78 78 MET CB C 78 32.176 32.176 32.162 0.014 18096 1163 1 2 . 1 1 78 78 MET H H 78 8.310 8.310 8.386 -0.076 18096 1164 1 2 . 1 1 79 79 VAL N N 79 122.115 122.115 120.397 1.718 18096 1165 1 2 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.618 -0.126 18096 1166 1 2 . 1 1 79 79 VAL C C 79 176.866 176.866 177.845 -0.979 18096 1167 1 2 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.302 1.072 18096 1168 1 2 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.569 0.046 18096 1169 1 2 . 1 1 79 79 VAL H H 79 8.239 8.239 7.426 0.813 18096 1170 1 2 . 1 1 80 80 LEU N N 80 120.240 120.240 120.513 -0.273 18096 1171 1 2 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.050 -0.111 18096 1172 1 2 . 1 1 80 80 LEU C C 80 180.078 180.078 178.759 1.319 18096 1173 1 2 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.382 0.215 18096 1174 1 2 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.243 -0.302 18096 1175 1 2 . 1 1 80 80 LEU H H 80 8.058 8.058 7.592 0.466 18096 1176 1 2 . 1 1 81 81 VAL N N 81 120.008 120.008 118.140 1.868 18096 1177 1 2 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.540 -0.082 18096 1178 1 2 . 1 1 81 81 VAL C C 81 177.670 177.670 177.626 0.044 18096 1179 1 2 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.185 0.152 18096 1180 1 2 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.665 -0.050 18096 1181 1 2 . 1 1 81 81 VAL H H 81 8.800 8.800 8.201 0.599 18096 1182 1 2 . 1 1 82 82 THR N N 82 116.872 116.872 116.898 -0.026 18096 1183 1 2 . 1 1 82 82 THR HA H 82 3.676 3.676 3.921 -0.245 18096 1184 1 2 . 1 1 82 82 THR C C 82 176.268 176.268 176.429 -0.161 18096 1185 1 2 . 1 1 82 82 THR CA C 82 68.590 68.590 66.862 1.728 18096 1186 1 2 . 1 1 82 82 THR CB C 82 68.468 68.468 68.685 -0.217 18096 1187 1 2 . 1 1 82 82 THR H H 82 8.109 8.109 7.729 0.380 18096 1188 1 2 . 1 1 83 83 PHE N N 83 119.777 119.777 121.736 -1.959 18096 1189 1 2 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.175 -0.094 18096 1190 1 2 . 1 1 83 83 PHE C C 83 178.015 178.015 176.948 1.067 18096 1191 1 2 . 1 1 83 83 PHE CA C 83 61.612 61.612 60.393 1.219 18096 1192 1 2 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.921 -0.235 18096 1193 1 2 . 1 1 83 83 PHE H H 83 8.754 8.754 7.625 1.129 18096 1194 1 2 . 1 1 84 84 SER N N 84 117.769 117.769 115.423 2.346 18096 1195 1 2 . 1 1 84 84 SER HA H 84 4.091 4.091 3.701 0.390 18096 1196 1 2 . 1 1 84 84 SER C C 84 175.899 175.899 176.615 -0.716 18096 1197 1 2 . 1 1 84 84 SER CA C 84 63.269 63.269 61.214 2.055 18096 1198 1 2 . 1 1 84 84 SER CB C 84 62.962 62.962 62.721 0.241 18096 1199 1 2 . 1 1 84 84 SER H H 84 8.335 8.335 7.674 0.661 18096 1200 1 2 . 1 1 85 85 ILE N N 85 122.986 122.986 121.189 1.797 18096 1201 1 2 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.653 -0.004 18096 1202 1 2 . 1 1 85 85 ILE C C 85 177.778 177.778 177.679 0.099 18096 1203 1 2 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.271 1.233 18096 1204 1 2 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.781 1.334 18096 1205 1 2 . 1 1 85 85 ILE H H 85 8.187 8.187 7.717 0.470 18096 1206 1 2 . 1 1 86 86 VAL N N 86 117.289 117.289 118.329 -1.040 18096 1207 1 2 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.584 -0.075 18096 1208 1 2 . 1 1 86 86 VAL C C 86 177.816 177.816 178.224 -0.408 18096 1209 1 2 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.036 0.011 18096 1210 1 2 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.717 0.880 18096 1211 1 2 . 1 1 86 86 VAL H H 86 8.367 8.367 7.843 0.524 18096 1212 1 2 . 1 1 87 87 THR N N 87 116.788 116.788 115.389 1.399 18096 1213 1 2 . 1 1 87 87 THR HA H 87 3.758 3.758 3.746 0.012 18096 1214 1 2 . 1 1 87 87 THR C C 87 176.095 176.095 176.773 -0.678 18096 1215 1 2 . 1 1 87 87 THR CA C 87 67.248 67.248 65.760 1.488 18096 1216 1 2 . 1 1 87 87 THR H H 87 8.007 8.007 7.340 0.667 18096 1217 1 2 . 1 1 88 88 SER N N 88 116.157 116.157 118.319 -2.162 18096 1218 1 2 . 1 1 88 88 SER HA H 88 4.018 4.018 4.130 -0.112 18096 1219 1 2 . 1 1 88 88 SER C C 88 174.932 174.932 176.125 -1.193 18096 1220 1 2 . 1 1 88 88 SER CA C 88 62.717 62.717 61.692 1.025 18096 1221 1 2 . 1 1 88 88 SER CB C 88 62.954 62.954 62.422 0.532 18096 1222 1 2 . 1 1 88 88 SER H H 88 7.662 7.662 7.595 0.067 18096 1223 1 2 . 1 1 89 89 VAL N N 89 117.956 117.956 121.180 -3.224 18096 1224 1 2 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.682 -0.166 18096 1225 1 2 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.431 0.835 18096 1226 1 2 . 1 1 89 89 VAL H H 89 8.274 8.274 8.272 0.002 18096 1227 1 2 . 1 1 90 90 CYS N N 90 116.319 116.319 117.325 -1.006 18096 1228 1 2 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.054 0.175 18096 1229 1 2 . 1 1 90 90 CYS C C 90 175.174 175.174 176.166 -0.992 18096 1230 1 2 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.942 -0.324 18096 1231 1 2 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.312 0.478 18096 1232 1 2 . 1 1 90 90 CYS H H 90 7.654 7.654 7.459 0.195 18096 1233 1 2 . 1 1 91 91 VAL N N 91 115.534 115.534 118.681 -3.147 18096 1234 1 2 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.749 -0.123 18096 1235 1 2 . 1 1 91 91 VAL C C 91 176.038 176.038 177.982 -1.944 18096 1236 1 2 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.839 -2.231 18096 1237 1 2 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.551 0.371 18096 1238 1 2 . 1 1 91 91 VAL H H 91 7.760 7.760 7.367 0.393 18096 1239 1 2 . 1 1 92 92 LEU N N 92 119.713 119.713 118.954 0.759 18096 1240 1 2 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.069 0.171 18096 1241 1 2 . 1 1 92 92 LEU C C 92 176.769 176.769 177.527 -0.758 18096 1242 1 2 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.740 -1.150 18096 1243 1 2 . 1 1 92 92 LEU CB C 92 41.932 41.932 41.421 0.511 18096 1244 1 2 . 1 1 92 92 LEU H H 92 7.732 7.732 7.522 0.210 18096 1245 1 2 . 1 1 93 93 ASN N N 93 117.817 117.817 117.138 0.679 18096 1246 1 2 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.737 -0.061 18096 1247 1 2 . 1 1 93 93 ASN C C 93 174.955 174.955 174.280 0.675 18096 1248 1 2 . 1 1 93 93 ASN CA C 93 53.255 53.255 53.119 0.136 18096 1249 1 2 . 1 1 93 93 ASN CB C 93 39.508 39.508 37.655 1.853 18096 1250 1 2 . 1 1 93 93 ASN H H 93 7.916 7.916 7.684 0.232 18096 1251 1 2 . 1 1 94 94 VAL N N 94 118.650 118.650 122.129 -3.479 18096 1252 1 2 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.463 -0.439 18096 1253 1 2 . 1 1 94 94 VAL C C 94 175.740 175.740 174.737 1.003 18096 1254 1 2 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.247 1.285 18096 1255 1 2 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.036 -1.404 18096 1256 1 2 . 1 1 94 94 VAL H H 94 7.730 7.730 7.857 -0.127 18096 1257 1 2 . 1 1 95 95 HIS N N 95 121.293 121.293 123.253 -1.960 18096 1258 1 2 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.728 -0.109 18096 1259 1 2 . 1 1 95 95 HIS C C 95 174.146 174.146 174.318 -0.172 18096 1260 1 2 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.981 -0.399 18096 1261 1 2 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.856 -1.101 18096 1262 1 2 . 1 1 95 95 HIS H H 95 8.341 8.341 8.624 -0.283 18096 1263 1 2 . 1 1 96 96 HIS N N 96 122.728 122.728 119.235 3.493 18096 1264 1 2 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.473 0.162 18096 1265 1 2 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.803 -1.221 18096 1266 1 2 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.669 0.104 18096 1267 1 2 . 1 1 96 96 HIS H H 96 8.333 8.333 8.277 0.056 18096 1268 1 2 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.688 -0.393 18096 1269 1 2 . 1 1 97 97 ARG C C 97 175.776 175.776 174.505 1.271 18096 1270 1 2 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.796 0.434 18096 1271 1 2 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.141 -0.111 18096 1272 1 2 . 1 1 98 98 SER N N 98 118.439 118.439 121.285 -2.846 18096 1273 1 2 . 1 1 98 98 SER HA H 98 4.736 4.736 4.998 -0.262 18096 1274 1 2 . 1 1 98 98 SER CA C 98 56.614 56.614 56.554 0.060 18096 1275 1 2 . 1 1 98 98 SER CB C 98 63.622 63.622 65.615 -1.993 18096 1276 1 2 . 1 1 98 98 SER H H 98 8.250 8.250 8.393 -0.143 18096 1277 1 2 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.459 -0.065 18096 1278 1 2 . 1 1 99 99 PRO C C 99 176.879 176.879 176.879 0.000 18096 1279 1 2 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.422 -0.725 18096 1280 1 2 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.119 -0.073 18096 1281 1 2 . 1 1 100 100 GLU N N 100 120.297 120.297 118.133 2.164 18096 1282 1 2 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.572 -0.273 18096 1283 1 2 . 1 1 100 100 GLU C C 100 176.576 176.576 175.317 1.259 18096 1284 1 2 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.327 1.140 18096 1285 1 2 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.233 -1.289 18096 1286 1 2 . 1 1 100 100 GLU H H 100 8.391 8.391 7.900 0.491 18096 1287 1 2 . 1 1 101 101 THR N N 101 114.144 114.144 114.974 -0.830 18096 1288 1 2 . 1 1 101 101 THR HA H 101 4.280 4.280 4.676 -0.396 18096 1289 1 2 . 1 1 101 101 THR C C 101 174.515 174.515 174.031 0.484 18096 1290 1 2 . 1 1 101 101 THR CA C 101 61.975 61.975 62.082 -0.107 18096 1291 1 2 . 1 1 101 101 THR CB C 101 69.817 69.817 68.927 0.890 18096 1292 1 2 . 1 1 101 101 THR H H 101 7.946 7.946 8.601 -0.655 18096 1293 1 2 . 1 1 102 102 HIS N N 102 120.429 120.429 123.236 -2.807 18096 1294 1 2 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.799 -0.049 18096 1295 1 2 . 1 1 102 102 HIS C C 102 174.764 174.764 174.248 0.516 18096 1296 1 2 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.895 -0.210 18096 1297 1 2 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.338 -1.093 18096 1298 1 2 . 1 1 102 102 HIS H H 102 8.459 8.459 8.532 -0.073 18096 1299 1 2 . 1 1 103 103 THR N N 103 114.319 114.319 113.314 1.005 18096 1300 1 2 . 1 1 103 103 THR HA H 103 4.345 4.345 4.548 -0.203 18096 1301 1 2 . 1 1 103 103 THR C C 103 175.087 175.087 174.930 0.157 18096 1302 1 2 . 1 1 103 103 THR CA C 103 61.976 61.976 61.432 0.544 18096 1303 1 2 . 1 1 103 103 THR CB C 103 69.831 69.831 70.870 -1.039 18096 1304 1 2 . 1 1 103 103 THR H H 103 8.068 8.068 7.772 0.296 18096 1305 1 2 . 1 1 104 104 GLY N N 104 111.143 111.143 110.999 0.144 18096 1306 1 2 . 1 1 104 104 GLY C C 104 174.757 174.757 173.649 1.108 18096 1307 1 2 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.599 1.002 18096 1308 1 2 . 1 1 104 104 GLY H H 104 8.389 8.389 8.455 -0.066 18096 1309 1 2 . 1 1 105 105 GLY N N 105 108.642 108.642 105.678 2.964 18096 1310 1 2 . 1 1 105 105 GLY C C 105 174.892 174.892 173.980 0.912 18096 1311 1 2 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.181 0.421 18096 1312 1 2 . 1 1 105 105 GLY H H 105 8.272 8.272 9.574 -1.302 18096 1313 1 2 . 1 1 106 106 GLY N N 106 108.820 108.820 107.091 1.729 18096 1314 1 2 . 1 1 106 106 GLY C C 106 174.886 174.886 174.546 0.340 18096 1315 1 2 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.138 0.465 18096 1316 1 2 . 1 1 106 106 GLY H H 106 8.359 8.359 8.269 0.090 18096 1317 1 2 . 1 1 107 107 GLY N N 107 108.550 108.550 106.301 2.249 18096 1318 1 2 . 1 1 107 107 GLY C C 107 174.886 174.886 174.767 0.119 18096 1319 1 2 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.523 1.079 18096 1320 1 2 . 1 1 107 107 GLY H H 107 8.338 8.338 8.281 0.057 18096 1321 1 2 . 1 1 108 108 GLY N N 108 108.519 108.519 106.977 1.542 18096 1322 1 2 . 1 1 108 108 GLY C C 108 175.411 175.411 175.853 -0.442 18096 1323 1 2 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.848 0.959 18096 1324 1 2 . 1 1 108 108 GLY H H 108 8.336 8.336 8.306 0.030 18096 1325 1 2 . 1 1 109 109 ILE N N 109 120.914 120.914 121.437 -0.523 18096 1326 1 2 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.827 0.149 18096 1327 1 2 . 1 1 109 109 ILE C C 109 176.019 176.019 175.758 0.261 18096 1328 1 2 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.365 -1.438 18096 1329 1 2 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.561 0.512 18096 1330 1 2 . 1 1 109 109 ILE H H 109 8.233 8.233 8.458 -0.225 18096 1331 1 2 . 1 1 110 110 ASP N N 110 121.149 121.149 120.315 0.834 18096 1332 1 2 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.610 -0.358 18096 1333 1 2 . 1 1 110 110 ASP C C 110 177.648 177.648 178.793 -1.145 18096 1334 1 2 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.877 -1.076 18096 1335 1 2 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.818 0.363 18096 1336 1 2 . 1 1 110 110 ASP H H 110 8.369 8.369 8.589 -0.220 18096 1337 1 2 . 1 1 111 111 ARG N N 111 119.198 119.198 120.413 -1.215 18096 1338 1 2 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.267 -0.278 18096 1339 1 2 . 1 1 111 111 ARG C C 111 177.502 177.502 179.014 -1.512 18096 1340 1 2 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.338 0.382 18096 1341 1 2 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.634 0.469 18096 1342 1 2 . 1 1 111 111 ARG H H 111 7.835 7.835 8.548 -0.713 18096 1343 1 2 . 1 1 112 112 LEU N N 112 118.935 118.935 121.123 -2.188 18096 1344 1 2 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.162 -0.159 18096 1345 1 2 . 1 1 112 112 LEU C C 112 178.356 178.356 178.691 -0.335 18096 1346 1 2 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.192 0.043 18096 1347 1 2 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.881 -0.138 18096 1348 1 2 . 1 1 112 112 LEU H H 112 7.783 7.783 8.302 -0.519 18096 1349 1 2 . 1 1 113 113 PHE N N 113 116.117 116.117 118.555 -2.438 18096 1350 1 2 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.245 -0.161 18096 1351 1 2 . 1 1 113 113 PHE C C 113 177.092 177.092 178.503 -1.411 18096 1352 1 2 . 1 1 113 113 PHE CA C 113 62.392 62.392 62.158 0.234 18096 1353 1 2 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.733 0.158 18096 1354 1 2 . 1 1 113 113 PHE H H 113 8.072 8.072 7.897 0.174 18096 1355 1 2 . 1 1 114 114 LEU N N 114 118.710 118.710 120.109 -1.399 18096 1356 1 2 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.114 -0.113 18096 1357 1 2 . 1 1 114 114 LEU C C 114 178.210 178.210 178.951 -0.741 18096 1358 1 2 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.164 0.345 18096 1359 1 2 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.400 0.384 18096 1360 1 2 . 1 1 114 114 LEU H H 114 7.881 7.881 8.520 -0.639 18096 1361 1 2 . 1 1 115 115 TRP N N 115 117.801 117.801 121.983 -4.182 18096 1362 1 2 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.511 -0.229 18096 1363 1 2 . 1 1 115 115 TRP C C 115 178.536 178.536 179.178 -0.642 18096 1364 1 2 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.828 -0.084 18096 1365 1 2 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.355 -0.230 18096 1366 1 2 . 1 1 115 115 TRP H H 115 7.925 7.925 8.114 -0.189 18096 1367 1 2 . 1 1 116 116 ILE N N 116 118.212 118.212 116.233 1.979 18096 1368 1 2 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.522 0.172 18096 1369 1 2 . 1 1 116 116 ILE C C 116 177.423 177.423 177.808 -0.385 18096 1370 1 2 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.716 1.271 18096 1371 1 2 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.353 0.798 18096 1372 1 2 . 1 1 116 116 ILE H H 116 8.355 8.355 8.089 0.266 18096 1373 1 2 . 1 1 117 117 PHE N N 117 119.509 119.509 121.969 -2.460 18096 1374 1 2 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.469 -0.375 18096 1375 1 2 . 1 1 117 117 PHE C C 117 177.389 177.389 176.888 0.501 18096 1376 1 2 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.318 1.627 18096 1377 1 2 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.371 -0.432 18096 1378 1 2 . 1 1 117 117 PHE H H 117 8.419 8.419 7.687 0.732 18096 1379 1 2 . 1 1 118 118 VAL N N 118 118.927 118.927 119.484 -0.557 18096 1380 1 2 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.364 0.146 18096 1381 1 2 . 1 1 118 118 VAL C C 118 177.452 177.452 177.639 -0.187 18096 1382 1 2 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.257 1.183 18096 1383 1 2 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.433 0.029 18096 1384 1 2 . 1 1 118 118 VAL H H 118 8.509 8.509 8.136 0.373 18096 1385 1 2 . 1 1 119 119 PHE N N 119 118.638 118.638 121.229 -2.591 18096 1386 1 2 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.152 -0.112 18096 1387 1 2 . 1 1 119 119 PHE C C 119 177.403 177.403 177.134 0.269 18096 1388 1 2 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.164 0.439 18096 1389 1 2 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.367 -0.222 18096 1390 1 2 . 1 1 119 119 PHE H H 119 8.477 8.477 7.745 0.732 18096 1391 1 2 . 1 1 120 120 VAL N N 120 118.660 118.660 119.756 -1.096 18096 1392 1 2 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.920 -0.453 18096 1393 1 2 . 1 1 120 120 VAL C C 120 177.851 177.851 177.814 0.037 18096 1394 1 2 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.716 1.720 18096 1395 1 2 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.236 0.423 18096 1396 1 2 . 1 1 120 120 VAL H H 120 8.705 8.705 7.855 0.850 18096 1397 1 2 . 1 1 121 121 CYS N N 121 117.055 117.055 118.660 -1.605 18096 1398 1 2 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.967 -0.065 18096 1399 1 2 . 1 1 121 121 CYS C C 121 177.629 177.629 176.236 1.393 18096 1400 1 2 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.954 1.385 18096 1401 1 2 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.990 -0.201 18096 1402 1 2 . 1 1 121 121 CYS H H 121 7.981 7.981 7.888 0.093 18096 1403 1 2 . 1 1 122 122 VAL N N 122 120.422 120.422 121.373 -0.951 18096 1404 1 2 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.655 -0.176 18096 1405 1 2 . 1 1 122 122 VAL C C 122 176.923 176.923 178.297 -1.374 18096 1406 1 2 . 1 1 122 122 VAL CA C 122 67.261 67.261 65.712 1.549 18096 1407 1 2 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.142 0.984 18096 1408 1 2 . 1 1 122 122 VAL H H 122 8.487 8.487 7.869 0.618 18096 1409 1 2 . 1 1 123 123 PHE N N 123 117.927 117.927 119.875 -1.948 18096 1410 1 2 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.061 -0.027 18096 1411 1 2 . 1 1 123 123 PHE C C 123 178.151 178.151 177.476 0.675 18096 1412 1 2 . 1 1 123 123 PHE CA C 123 62.094 62.094 60.799 1.295 18096 1413 1 2 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.294 0.343 18096 1414 1 2 . 1 1 123 123 PHE H H 123 8.630 8.630 8.546 0.084 18096 1415 1 2 . 1 1 124 124 GLY N N 124 106.539 106.539 106.410 0.129 18096 1416 1 2 . 1 1 124 124 GLY C C 124 174.290 174.290 175.400 -1.110 18096 1417 1 2 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.017 0.534 18096 1418 1 2 . 1 1 124 124 GLY H H 124 8.689 8.689 7.991 0.698 18096 1419 1 2 . 1 1 125 125 THR N N 125 117.059 117.059 117.008 0.051 18096 1420 1 2 . 1 1 125 125 THR HA H 125 3.649 3.649 3.849 -0.200 18096 1421 1 2 . 1 1 125 125 THR C C 125 176.231 176.231 176.850 -0.619 18096 1422 1 2 . 1 1 125 125 THR CA C 125 67.989 67.989 65.409 2.580 18096 1423 1 2 . 1 1 125 125 THR H H 125 7.553 7.553 8.212 -0.659 18096 1424 1 2 . 1 1 126 126 ILE N N 126 119.538 119.538 120.837 -1.299 18096 1425 1 2 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.780 -0.132 18096 1426 1 2 . 1 1 126 126 ILE C C 126 177.976 177.976 178.412 -0.436 18096 1427 1 2 . 1 1 126 126 ILE CA C 126 65.715 65.715 62.965 2.750 18096 1428 1 2 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.090 1.740 18096 1429 1 2 . 1 1 126 126 ILE H H 126 8.003 8.003 7.979 0.025 18096 1430 1 2 . 1 1 127 127 GLY N N 127 105.404 105.404 108.359 -2.955 18096 1431 1 2 . 1 1 127 127 GLY C C 127 174.597 174.597 175.242 -0.645 18096 1432 1 2 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.007 0.562 18096 1433 1 2 . 1 1 127 127 GLY H H 127 8.438 8.438 7.621 0.817 18096 1434 1 2 . 1 1 128 128 MET N N 128 117.893 117.893 116.811 1.082 18096 1435 1 2 . 1 1 128 128 MET HA H 128 4.153 4.153 4.368 -0.215 18096 1436 1 2 . 1 1 128 128 MET C C 128 177.815 177.815 178.412 -0.597 18096 1437 1 2 . 1 1 128 128 MET CA C 128 58.198 58.198 57.425 0.773 18096 1438 1 2 . 1 1 128 128 MET CB C 128 32.113 32.113 33.123 -1.010 18096 1439 1 2 . 1 1 128 128 MET H H 128 7.821 7.821 7.418 0.403 18096 1440 1 2 . 1 1 129 129 PHE N N 129 116.018 116.018 122.402 -6.384 18096 1441 1 2 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.224 -0.090 18096 1442 1 2 . 1 1 129 129 PHE C C 129 175.863 175.863 176.336 -0.473 18096 1443 1 2 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.890 -1.075 18096 1444 1 2 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.587 -0.497 18096 1445 1 2 . 1 1 129 129 PHE H H 129 7.797 7.797 8.317 -0.520 18096 1446 1 2 . 1 1 130 130 LEU N N 130 115.806 115.806 118.956 -3.150 18096 1447 1 2 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.270 0.068 18096 1448 1 2 . 1 1 130 130 LEU C C 130 177.219 177.219 176.750 0.469 18096 1449 1 2 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.318 1.149 18096 1450 1 2 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.851 0.573 18096 1451 1 2 . 1 1 130 130 LEU H H 130 7.745 7.745 7.864 -0.119 18096 1452 1 2 . 1 1 131 131 GLN N N 131 118.630 118.630 119.648 -1.018 18096 1453 1 2 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.100 0.004 18096 1454 1 2 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.129 2.190 18096 1455 1 2 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.401 -0.580 18096 1456 1 2 . 1 1 131 131 GLN H H 131 7.808 7.808 7.311 0.497 18096 1457 1 2 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.401 -0.028 18096 1458 1 2 . 1 1 132 132 PRO C C 132 177.739 177.739 177.068 0.671 18096 1459 1 2 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.576 2.807 18096 1460 1 2 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.174 -0.648 18096 1461 1 2 . 1 1 133 133 LEU N N 133 115.632 115.632 116.493 -0.861 18096 1462 1 2 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.189 -0.125 18096 1463 1 2 . 1 1 133 133 LEU C C 133 176.918 176.918 176.107 0.811 18096 1464 1 2 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.906 -0.505 18096 1465 1 2 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.062 -0.073 18096 1466 1 2 . 1 1 133 133 LEU H H 133 7.689 7.689 8.223 -0.534 18096 1467 1 2 . 1 1 134 134 PHE N N 134 114.807 114.807 115.591 -0.784 18096 1468 1 2 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.643 -0.114 18096 1469 1 2 . 1 1 134 134 PHE C C 134 175.245 175.245 174.705 0.540 18096 1470 1 2 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.157 0.581 18096 1471 1 2 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.248 -0.639 18096 1472 1 2 . 1 1 134 134 PHE H H 134 7.679 7.679 7.408 0.271 18096 1473 1 2 . 1 1 135 135 GLN N N 135 118.318 118.318 118.449 -0.131 18096 1474 1 2 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.158 0.157 18096 1475 1 2 . 1 1 135 135 GLN C C 135 175.361 175.361 176.219 -0.858 18096 1476 1 2 . 1 1 135 135 GLN CA C 135 56.107 56.107 58.045 -1.938 18096 1477 1 2 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.028 0.838 18096 1478 1 2 . 1 1 135 135 GLN H H 135 7.651 7.651 8.864 -1.213 18096 1479 1 2 . 1 1 136 136 GLU N N 136 120.684 120.684 120.108 0.576 18096 1480 1 2 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.743 -0.432 18096 1481 1 2 . 1 1 136 136 GLU C C 136 175.153 175.153 176.024 -0.871 18096 1482 1 2 . 1 1 136 136 GLU CA C 136 56.475 56.475 54.992 1.482 18096 1483 1 2 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.759 1.473 18096 1484 1 2 . 1 1 136 136 GLU H H 136 8.109 8.109 8.506 -0.397 18096 1485 1 3 . 1 1 3 3 ALA N N 3 124.656 124.656 124.326 0.330 18096 1486 1 3 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.295 -0.089 18096 1487 1 3 . 1 1 3 3 ALA C C 3 178.133 178.133 177.504 0.629 18096 1488 1 3 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.931 1.754 18096 1489 1 3 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.535 -0.452 18096 1490 1 3 . 1 1 3 3 ALA H H 3 8.402 8.402 8.521 -0.119 18096 1491 1 3 . 1 1 4 4 GLU N N 4 117.439 117.439 118.848 -1.409 18096 1492 1 3 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.338 -0.209 18096 1493 1 3 . 1 1 4 4 GLU C C 4 176.534 176.534 175.983 0.551 18096 1494 1 3 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.465 0.959 18096 1495 1 3 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.290 -0.406 18096 1496 1 3 . 1 1 4 4 GLU H H 4 8.219 8.219 8.697 -0.478 18096 1497 1 3 . 1 1 5 5 GLU N N 5 118.815 118.815 117.867 0.948 18096 1498 1 3 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.375 -0.164 18096 1499 1 3 . 1 1 5 5 GLU C C 5 176.604 176.604 177.697 -1.093 18096 1500 1 3 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.129 -0.178 18096 1501 1 3 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.865 0.097 18096 1502 1 3 . 1 1 5 5 GLU H H 5 7.992 7.992 8.234 -0.242 18096 1503 1 3 . 1 1 6 6 GLU N N 6 121.446 121.446 122.185 -0.739 18096 1504 1 3 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.314 -0.131 18096 1505 1 3 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.300 -2.879 18096 1506 1 3 . 1 1 6 6 GLU CB C 6 28.983 28.983 27.928 1.055 18096 1507 1 3 . 1 1 6 6 GLU H H 6 8.148 8.148 8.745 -0.597 18096 1508 1 3 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.339 -0.076 18096 1509 1 3 . 1 1 7 7 PRO C C 7 178.717 178.717 177.814 0.903 18096 1510 1 3 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.851 0.678 18096 1511 1 3 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.319 0.004 18096 1512 1 3 . 1 1 8 8 LEU N N 8 119.642 119.642 117.074 2.568 18096 1513 1 3 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.378 -0.426 18096 1514 1 3 . 1 1 8 8 LEU C C 8 177.905 177.905 177.820 0.085 18096 1515 1 3 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.060 1.871 18096 1516 1 3 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.843 -0.070 18096 1517 1 3 . 1 1 8 8 LEU H H 8 8.222 8.222 7.721 0.501 18096 1518 1 3 . 1 1 9 9 PHE N N 9 118.625 118.625 119.917 -1.292 18096 1519 1 3 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.127 0.045 18096 1520 1 3 . 1 1 9 9 PHE C C 9 177.620 177.620 176.803 0.817 18096 1521 1 3 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.429 -0.357 18096 1522 1 3 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.270 -0.432 18096 1523 1 3 . 1 1 9 9 PHE H H 9 8.071 8.071 7.739 0.332 18096 1524 1 3 . 1 1 10 10 TYR N N 10 117.829 117.829 118.615 -0.786 18096 1525 1 3 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.345 -0.155 18096 1526 1 3 . 1 1 10 10 TYR C C 10 177.743 177.743 177.518 0.225 18096 1527 1 3 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.872 -0.663 18096 1528 1 3 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.910 -0.195 18096 1529 1 3 . 1 1 10 10 TYR H H 10 8.204 8.204 7.660 0.544 18096 1530 1 3 . 1 1 11 11 THR N N 11 115.545 115.545 115.049 0.496 18096 1531 1 3 . 1 1 11 11 THR HA H 11 3.875 3.875 3.811 0.065 18096 1532 1 3 . 1 1 11 11 THR C C 11 175.937 175.937 176.562 -0.625 18096 1533 1 3 . 1 1 11 11 THR CA C 11 67.187 67.187 65.731 1.456 18096 1534 1 3 . 1 1 11 11 THR CB C 11 68.579 68.579 68.475 0.104 18096 1535 1 3 . 1 1 11 11 THR H H 11 7.934 7.934 8.018 -0.084 18096 1536 1 3 . 1 1 12 12 ILE N N 12 120.096 120.096 120.545 -0.449 18096 1537 1 3 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.613 0.069 18096 1538 1 3 . 1 1 12 12 ILE C C 12 175.863 175.863 177.305 -1.442 18096 1539 1 3 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.402 -0.581 18096 1540 1 3 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.549 0.407 18096 1541 1 3 . 1 1 12 12 ILE H H 12 8.172 8.172 8.035 0.137 18096 1542 1 3 . 1 1 13 13 ASN N N 13 114.444 114.444 116.820 -2.376 18096 1543 1 3 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.396 -0.003 18096 1544 1 3 . 1 1 13 13 ASN C C 13 174.880 174.880 175.853 -0.973 18096 1545 1 3 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.497 -0.240 18096 1546 1 3 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.036 1.510 18096 1547 1 3 . 1 1 13 13 ASN H H 13 7.731 7.731 7.697 0.034 18096 1548 1 3 . 1 1 14 14 LEU N N 14 115.306 115.306 118.377 -3.071 18096 1549 1 3 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.790 0.556 18096 1550 1 3 . 1 1 14 14 LEU C C 14 177.427 177.427 177.293 0.134 18096 1551 1 3 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.368 0.002 18096 1552 1 3 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.122 -0.356 18096 1553 1 3 . 1 1 14 14 LEU H H 14 7.381 7.381 7.122 0.259 18096 1554 1 3 . 1 1 15 15 ILE N N 15 117.935 117.935 120.236 -2.301 18096 1555 1 3 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.622 -0.024 18096 1556 1 3 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.935 0.517 18096 1557 1 3 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.140 -0.459 18096 1558 1 3 . 1 1 15 15 ILE H H 15 8.135 8.135 7.255 0.880 18096 1559 1 3 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.276 -0.230 18096 1560 1 3 . 1 1 17 17 PRO C C 17 177.518 177.518 178.543 -1.025 18096 1561 1 3 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.592 1.053 18096 1562 1 3 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.786 0.180 18096 1563 1 3 . 1 1 18 18 CYS N N 18 113.411 113.411 118.223 -4.812 18096 1564 1 3 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.007 -0.056 18096 1565 1 3 . 1 1 18 18 CYS C C 18 177.617 177.617 177.070 0.547 18096 1566 1 3 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.022 1.466 18096 1567 1 3 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.641 -0.873 18096 1568 1 3 . 1 1 18 18 CYS H H 18 7.338 7.338 7.419 -0.081 18096 1569 1 3 . 1 1 19 19 VAL N N 19 121.720 121.720 119.560 2.160 18096 1570 1 3 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.654 -0.133 18096 1571 1 3 . 1 1 19 19 VAL C C 19 178.069 178.069 178.472 -0.403 18096 1572 1 3 . 1 1 19 19 VAL CA C 19 67.065 67.065 67.269 -0.204 18096 1573 1 3 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.363 0.389 18096 1574 1 3 . 1 1 19 19 VAL H H 19 8.587 8.587 7.751 0.836 18096 1575 1 3 . 1 1 20 20 LEU N N 20 121.731 121.731 120.672 1.059 18096 1576 1 3 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.860 0.161 18096 1577 1 3 . 1 1 20 20 LEU C C 20 177.989 177.989 179.232 -1.243 18096 1578 1 3 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.167 0.481 18096 1579 1 3 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.798 0.136 18096 1580 1 3 . 1 1 20 20 LEU H H 20 8.344 8.344 7.412 0.932 18096 1581 1 3 . 1 1 21 21 ILE N N 21 117.403 117.403 118.842 -1.439 18096 1582 1 3 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.558 0.111 18096 1583 1 3 . 1 1 21 21 ILE C C 21 176.947 176.947 177.857 -0.910 18096 1584 1 3 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.689 -0.333 18096 1585 1 3 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.901 0.017 18096 1586 1 3 . 1 1 21 21 ILE H H 21 8.371 8.371 8.482 -0.111 18096 1587 1 3 . 1 1 22 22 THR N N 22 115.544 115.544 115.344 0.200 18096 1588 1 3 . 1 1 22 22 THR HA H 22 3.681 3.681 3.951 -0.270 18096 1589 1 3 . 1 1 22 22 THR C C 22 176.073 176.073 176.678 -0.605 18096 1590 1 3 . 1 1 22 22 THR CA C 22 68.152 68.152 67.579 0.573 18096 1591 1 3 . 1 1 22 22 THR CB C 22 68.428 68.428 68.580 -0.152 18096 1592 1 3 . 1 1 22 22 THR H H 22 7.829 7.829 7.556 0.273 18096 1593 1 3 . 1 1 23 23 SER N N 23 116.192 116.192 117.352 -1.160 18096 1594 1 3 . 1 1 23 23 SER HA H 23 4.023 4.023 4.053 -0.030 18096 1595 1 3 . 1 1 23 23 SER C C 23 175.279 175.279 176.381 -1.102 18096 1596 1 3 . 1 1 23 23 SER CA C 23 63.884 63.884 61.614 2.270 18096 1597 1 3 . 1 1 23 23 SER CB C 23 62.971 62.971 63.077 -0.106 18096 1598 1 3 . 1 1 23 23 SER H H 23 8.069 8.069 7.758 0.311 18096 1599 1 3 . 1 1 24 24 LEU N N 24 120.855 120.855 121.385 -0.530 18096 1600 1 3 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.005 -0.024 18096 1601 1 3 . 1 1 24 24 LEU C C 24 177.542 177.542 178.420 -0.878 18096 1602 1 3 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.503 -0.467 18096 1603 1 3 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.777 0.164 18096 1604 1 3 . 1 1 24 24 LEU H H 24 7.858 7.858 7.930 -0.072 18096 1605 1 3 . 1 1 25 25 ALA N N 25 119.507 119.507 121.384 -1.877 18096 1606 1 3 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.140 -0.200 18096 1607 1 3 . 1 1 25 25 ALA C C 25 177.915 177.915 179.772 -1.857 18096 1608 1 3 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.248 0.364 18096 1609 1 3 . 1 1 25 25 ALA CB C 25 18.251 18.251 17.973 0.278 18096 1610 1 3 . 1 1 25 25 ALA H H 25 8.141 8.141 7.604 0.537 18096 1611 1 3 . 1 1 26 26 ILE N N 26 115.689 115.689 119.638 -3.949 18096 1612 1 3 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.649 0.149 18096 1613 1 3 . 1 1 26 26 ILE C C 26 177.729 177.729 177.937 -0.208 18096 1614 1 3 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.669 0.671 18096 1615 1 3 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.883 -0.053 18096 1616 1 3 . 1 1 26 26 ILE H H 26 8.012 8.012 7.120 0.892 18096 1617 1 3 . 1 1 27 27 LEU N N 27 118.567 118.567 119.987 -1.420 18096 1618 1 3 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.971 0.035 18096 1619 1 3 . 1 1 27 27 LEU C C 27 178.364 178.364 179.387 -1.023 18096 1620 1 3 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.339 0.398 18096 1621 1 3 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.573 0.264 18096 1622 1 3 . 1 1 27 27 LEU H H 27 8.045 8.045 8.469 -0.424 18096 1623 1 3 . 1 1 28 28 VAL N N 28 113.720 113.720 119.143 -5.423 18096 1624 1 3 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.755 -0.180 18096 1625 1 3 . 1 1 28 28 VAL C C 28 177.809 177.809 177.814 -0.005 18096 1626 1 3 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.716 -0.703 18096 1627 1 3 . 1 1 28 28 VAL CB C 28 32.050 32.050 32.220 -0.170 18096 1628 1 3 . 1 1 28 28 VAL H H 28 8.008 8.008 7.532 0.476 18096 1629 1 3 . 1 1 29 29 PHE N N 29 115.458 115.458 116.911 -1.453 18096 1630 1 3 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.336 -0.127 18096 1631 1 3 . 1 1 29 29 PHE C C 29 176.366 176.366 177.352 -0.986 18096 1632 1 3 . 1 1 29 29 PHE CA C 29 60.858 60.858 60.235 0.623 18096 1633 1 3 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.963 0.634 18096 1634 1 3 . 1 1 29 29 PHE H H 29 7.915 7.915 7.693 0.222 18096 1635 1 3 . 1 1 30 30 TYR N N 30 115.649 115.649 117.549 -1.900 18096 1636 1 3 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.486 -0.245 18096 1637 1 3 . 1 1 30 30 TYR C C 30 175.388 175.388 176.057 -0.669 18096 1638 1 3 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.434 -1.048 18096 1639 1 3 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.894 -0.254 18096 1640 1 3 . 1 1 30 30 TYR H H 30 8.002 8.002 8.255 -0.253 18096 1641 1 3 . 1 1 31 31 LEU N N 31 121.144 121.144 120.930 0.214 18096 1642 1 3 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.847 -0.399 18096 1643 1 3 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.132 2.017 18096 1644 1 3 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.471 -0.135 18096 1645 1 3 . 1 1 31 31 LEU H H 31 7.514 7.514 7.848 -0.334 18096 1646 1 3 . 1 1 32 32 PRO C C 32 176.530 176.530 176.709 -0.179 18096 1647 1 3 . 1 1 33 33 SER N N 33 115.448 115.448 117.651 -2.203 18096 1648 1 3 . 1 1 33 33 SER HA H 33 4.317 4.317 4.415 -0.098 18096 1649 1 3 . 1 1 33 33 SER C C 33 174.174 174.174 174.484 -0.310 18096 1650 1 3 . 1 1 33 33 SER CA C 33 59.954 59.954 58.457 1.497 18096 1651 1 3 . 1 1 33 33 SER H H 33 8.370 8.370 8.298 0.072 18096 1652 1 3 . 1 1 34 34 ASP N N 34 119.694 119.694 122.891 -3.197 18096 1653 1 3 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.894 -0.309 18096 1654 1 3 . 1 1 34 34 ASP C C 34 175.971 175.971 175.526 0.445 18096 1655 1 3 . 1 1 34 34 ASP CA C 34 54.442 54.442 53.492 0.950 18096 1656 1 3 . 1 1 34 34 ASP CB C 34 41.240 41.240 43.574 -2.334 18096 1657 1 3 . 1 1 34 34 ASP H H 34 8.209 8.209 8.152 0.057 18096 1658 1 3 . 1 1 35 35 CYS N N 35 114.872 114.872 122.896 -8.024 18096 1659 1 3 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.344 -0.141 18096 1660 1 3 . 1 1 35 35 CYS C C 35 175.147 175.147 176.648 -1.501 18096 1661 1 3 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.733 1.387 18096 1662 1 3 . 1 1 35 35 CYS CB C 35 27.886 27.886 27.660 0.226 18096 1663 1 3 . 1 1 35 35 CYS H H 35 7.750 7.750 8.847 -1.097 18096 1664 1 3 . 1 1 36 36 GLY N N 36 110.059 110.059 107.417 2.642 18096 1665 1 3 . 1 1 36 36 GLY C C 36 174.391 174.391 175.237 -0.846 18096 1666 1 3 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.733 0.554 18096 1667 1 3 . 1 1 36 36 GLY H H 36 8.357 8.357 8.640 -0.283 18096 1668 1 3 . 1 1 37 37 GLU N N 37 121.785 121.785 120.975 0.810 18096 1669 1 3 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.190 -0.124 18096 1670 1 3 . 1 1 37 37 GLU C C 37 176.536 176.536 178.577 -2.041 18096 1671 1 3 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.389 0.137 18096 1672 1 3 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.770 -0.040 18096 1673 1 3 . 1 1 37 37 GLU H H 37 8.359 8.359 7.572 0.787 18096 1674 1 3 . 1 1 38 38 LYS N N 38 123.927 123.927 119.829 4.098 18096 1675 1 3 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.096 0.027 18096 1676 1 3 . 1 1 38 38 LYS C C 38 177.544 177.544 179.011 -1.467 18096 1677 1 3 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.032 -0.463 18096 1678 1 3 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.961 -0.284 18096 1679 1 3 . 1 1 38 38 LYS H H 38 8.226 8.226 7.462 0.764 18096 1680 1 3 . 1 1 39 39 MET N N 39 117.932 117.932 118.316 -0.384 18096 1681 1 3 . 1 1 39 39 MET HA H 39 4.135 4.135 4.301 -0.166 18096 1682 1 3 . 1 1 39 39 MET C C 39 178.602 178.602 178.382 0.220 18096 1683 1 3 . 1 1 39 39 MET CA C 39 58.851 58.851 58.231 0.620 18096 1684 1 3 . 1 1 39 39 MET CB C 39 32.220 32.220 32.305 -0.085 18096 1685 1 3 . 1 1 39 39 MET H H 39 8.262 8.262 8.204 0.058 18096 1686 1 3 . 1 1 40 40 THR N N 40 117.201 117.201 114.136 3.065 18096 1687 1 3 . 1 1 40 40 THR HA H 40 3.673 3.673 3.963 -0.290 18096 1688 1 3 . 1 1 40 40 THR C C 40 175.927 175.927 176.945 -1.018 18096 1689 1 3 . 1 1 40 40 THR CA C 40 67.352 67.352 65.945 1.406 18096 1690 1 3 . 1 1 40 40 THR H H 40 8.341 8.341 7.727 0.614 18096 1691 1 3 . 1 1 41 41 LEU N N 41 120.040 120.040 122.878 -2.838 18096 1692 1 3 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.128 -0.076 18096 1693 1 3 . 1 1 41 41 LEU C C 41 177.809 177.809 178.480 -0.671 18096 1694 1 3 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.961 0.426 18096 1695 1 3 . 1 1 41 41 LEU H H 41 8.181 8.181 7.832 0.349 18096 1696 1 3 . 1 1 42 42 CYS N N 42 117.556 117.556 118.208 -0.652 18096 1697 1 3 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.094 -0.142 18096 1698 1 3 . 1 1 42 42 CYS C C 42 176.460 176.460 177.544 -1.084 18096 1699 1 3 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.443 1.053 18096 1700 1 3 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.398 0.435 18096 1701 1 3 . 1 1 42 42 CYS H H 42 7.949 7.949 7.735 0.214 18096 1702 1 3 . 1 1 43 43 ILE N N 43 117.336 117.336 120.041 -2.705 18096 1703 1 3 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.705 -0.076 18096 1704 1 3 . 1 1 43 43 ILE C C 43 177.256 177.256 177.709 -0.453 18096 1705 1 3 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.320 -0.245 18096 1706 1 3 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.974 -0.030 18096 1707 1 3 . 1 1 43 43 ILE H H 43 8.347 8.347 7.564 0.783 18096 1708 1 3 . 1 1 44 44 SER N N 44 116.243 116.243 116.061 0.182 18096 1709 1 3 . 1 1 44 44 SER HA H 44 4.083 4.083 4.212 -0.129 18096 1710 1 3 . 1 1 44 44 SER C C 44 176.305 176.305 176.483 -0.178 18096 1711 1 3 . 1 1 44 44 SER CA C 44 63.348 63.348 62.520 0.828 18096 1712 1 3 . 1 1 44 44 SER CB C 44 62.954 62.954 63.239 -0.285 18096 1713 1 3 . 1 1 44 44 SER H H 44 8.064 8.064 7.934 0.130 18096 1714 1 3 . 1 1 45 45 VAL N N 45 120.333 120.333 121.584 -1.251 18096 1715 1 3 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.818 -0.302 18096 1716 1 3 . 1 1 45 45 VAL C C 45 177.247 177.247 176.895 0.352 18096 1717 1 3 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.131 1.807 18096 1718 1 3 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.560 0.200 18096 1719 1 3 . 1 1 45 45 VAL H H 45 8.036 8.036 8.415 -0.379 18096 1720 1 3 . 1 1 46 46 LEU N N 46 119.430 119.430 120.267 -0.837 18096 1721 1 3 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.112 -0.164 18096 1722 1 3 . 1 1 46 46 LEU C C 46 180.032 180.032 178.292 1.740 18096 1723 1 3 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.726 0.800 18096 1724 1 3 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.919 0.066 18096 1725 1 3 . 1 1 46 46 LEU H H 46 7.959 7.959 7.277 0.682 18096 1726 1 3 . 1 1 47 47 LEU N N 47 121.110 121.110 120.488 0.622 18096 1727 1 3 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.867 0.131 18096 1728 1 3 . 1 1 47 47 LEU C C 47 177.985 177.985 178.561 -0.576 18096 1729 1 3 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.400 0.039 18096 1730 1 3 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.616 0.430 18096 1731 1 3 . 1 1 47 47 LEU H H 47 8.695 8.695 8.113 0.582 18096 1732 1 3 . 1 1 48 48 ALA N N 48 121.251 121.251 121.266 -0.015 18096 1733 1 3 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.957 -0.112 18096 1734 1 3 . 1 1 48 48 ALA C C 48 178.834 178.834 179.722 -0.888 18096 1735 1 3 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.295 0.414 18096 1736 1 3 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.157 -0.024 18096 1737 1 3 . 1 1 48 48 ALA H H 48 8.272 8.272 8.028 0.244 18096 1738 1 3 . 1 1 49 49 LEU N N 49 116.290 116.290 116.484 -0.194 18096 1739 1 3 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.093 -0.096 18096 1740 1 3 . 1 1 49 49 LEU C C 49 178.068 178.068 179.471 -1.403 18096 1741 1 3 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.369 0.939 18096 1742 1 3 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.698 0.248 18096 1743 1 3 . 1 1 49 49 LEU H H 49 8.526 8.526 7.651 0.875 18096 1744 1 3 . 1 1 50 50 THR N N 50 115.495 115.495 116.081 -0.586 18096 1745 1 3 . 1 1 50 50 THR HA H 50 3.692 3.692 4.167 -0.475 18096 1746 1 3 . 1 1 50 50 THR C C 50 176.061 176.061 176.764 -0.703 18096 1747 1 3 . 1 1 50 50 THR CA C 50 68.786 68.786 66.702 2.084 18096 1748 1 3 . 1 1 50 50 THR H H 50 7.996 7.996 7.768 0.228 18096 1749 1 3 . 1 1 51 51 VAL N N 51 119.977 119.977 122.926 -2.949 18096 1750 1 3 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.568 -0.072 18096 1751 1 3 . 1 1 51 51 VAL C C 51 177.063 177.063 177.707 -0.644 18096 1752 1 3 . 1 1 51 51 VAL CA C 51 67.363 67.363 67.165 0.198 18096 1753 1 3 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.689 -0.071 18096 1754 1 3 . 1 1 51 51 VAL H H 51 8.145 8.145 8.021 0.124 18096 1755 1 3 . 1 1 52 52 PHE N N 52 118.836 118.836 117.558 1.278 18096 1756 1 3 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.231 -0.129 18096 1757 1 3 . 1 1 52 52 PHE C C 52 176.721 176.721 177.739 -1.018 18096 1758 1 3 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.958 -0.319 18096 1759 1 3 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.448 0.881 18096 1760 1 3 . 1 1 52 52 PHE H H 52 8.354 8.354 7.523 0.831 18096 1761 1 3 . 1 1 53 53 LEU N N 53 117.271 117.271 120.625 -3.354 18096 1762 1 3 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.096 -0.224 18096 1763 1 3 . 1 1 53 53 LEU C C 53 179.184 179.184 178.561 0.623 18096 1764 1 3 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.260 -0.403 18096 1765 1 3 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.638 0.357 18096 1766 1 3 . 1 1 53 53 LEU H H 53 8.438 8.438 7.683 0.755 18096 1767 1 3 . 1 1 54 54 LEU N N 54 119.310 119.310 118.731 0.579 18096 1768 1 3 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.006 0.001 18096 1769 1 3 . 1 1 54 54 LEU C C 54 179.224 179.224 179.409 -0.185 18096 1770 1 3 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.559 0.529 18096 1771 1 3 . 1 1 54 54 LEU CB C 54 42.029 42.029 40.621 1.408 18096 1772 1 3 . 1 1 54 54 LEU H H 54 8.147 8.147 7.736 0.411 18096 1773 1 3 . 1 1 55 55 LEU N N 55 118.400 118.400 120.535 -2.135 18096 1774 1 3 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.942 0.158 18096 1775 1 3 . 1 1 55 55 LEU C C 55 178.974 178.974 179.088 -0.114 18096 1776 1 3 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.673 -0.812 18096 1777 1 3 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.231 -0.259 18096 1778 1 3 . 1 1 55 55 LEU H H 55 8.096 8.096 7.391 0.705 18096 1779 1 3 . 1 1 56 56 ILE N N 56 115.919 115.919 116.382 -0.463 18096 1780 1 3 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.102 -0.246 18096 1781 1 3 . 1 1 56 56 ILE C C 56 176.763 176.763 177.491 -0.728 18096 1782 1 3 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.320 0.191 18096 1783 1 3 . 1 1 56 56 ILE CB C 56 37.689 37.689 38.077 -0.388 18096 1784 1 3 . 1 1 56 56 ILE H H 56 8.028 8.028 7.661 0.367 18096 1785 1 3 . 1 1 57 57 SER N N 57 114.862 114.862 114.437 0.425 18096 1786 1 3 . 1 1 57 57 SER HA H 57 4.178 4.178 4.203 -0.025 18096 1787 1 3 . 1 1 57 57 SER C C 57 175.258 175.258 175.774 -0.516 18096 1788 1 3 . 1 1 57 57 SER CA C 57 60.946 60.946 61.082 -0.136 18096 1789 1 3 . 1 1 57 57 SER CB C 57 63.558 63.558 63.316 0.241 18096 1790 1 3 . 1 1 57 57 SER H H 57 7.689 7.689 8.163 -0.474 18096 1791 1 3 . 1 1 58 58 LYS N N 58 118.080 118.080 119.676 -1.596 18096 1792 1 3 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.376 -0.089 18096 1793 1 3 . 1 1 58 58 LYS C C 58 176.668 176.668 176.685 -0.017 18096 1794 1 3 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.465 -1.359 18096 1795 1 3 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.183 -2.119 18096 1796 1 3 . 1 1 58 58 LYS H H 58 7.595 7.595 7.538 0.057 18096 1797 1 3 . 1 1 59 59 ILE N N 59 116.926 116.926 121.072 -4.146 18096 1798 1 3 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.339 -0.305 18096 1799 1 3 . 1 1 59 59 ILE C C 59 175.226 175.226 175.255 -0.029 18096 1800 1 3 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.621 3.763 18096 1801 1 3 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.586 -2.513 18096 1802 1 3 . 1 1 59 59 ILE H H 59 7.706 7.706 7.632 0.074 18096 1803 1 3 . 1 1 60 60 VAL N N 60 119.235 119.235 124.133 -4.898 18096 1804 1 3 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.079 0.247 18096 1805 1 3 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.694 -0.947 18096 1806 1 3 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.507 1.759 18096 1807 1 3 . 1 1 60 60 VAL H H 60 7.586 7.586 8.313 -0.727 18096 1808 1 3 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.591 0.053 18096 1809 1 3 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.306 0.215 18096 1810 1 3 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.923 0.213 18096 1811 1 3 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.225 0.266 18096 1812 1 3 . 1 1 62 62 PRO C C 62 176.912 176.912 177.402 -0.490 18096 1813 1 3 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.526 -1.283 18096 1814 1 3 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.579 0.299 18096 1815 1 3 . 1 1 63 63 THR N N 63 111.607 111.607 109.892 1.715 18096 1816 1 3 . 1 1 63 63 THR HA H 63 4.447 4.447 4.172 0.275 18096 1817 1 3 . 1 1 63 63 THR C C 63 174.725 174.725 175.152 -0.427 18096 1818 1 3 . 1 1 63 63 THR CA C 63 61.245 61.245 64.063 -2.818 18096 1819 1 3 . 1 1 63 63 THR CB C 63 69.807 69.807 69.041 0.766 18096 1820 1 3 . 1 1 63 63 THR H H 63 7.915 7.915 7.867 0.048 18096 1821 1 3 . 1 1 64 64 SER N N 64 116.516 116.516 113.803 2.713 18096 1822 1 3 . 1 1 64 64 SER HA H 64 4.411 4.411 4.591 -0.180 18096 1823 1 3 . 1 1 64 64 SER C C 64 174.580 174.580 173.522 1.058 18096 1824 1 3 . 1 1 64 64 SER CA C 64 58.608 58.608 57.709 0.899 18096 1825 1 3 . 1 1 64 64 SER CB C 64 63.742 63.742 65.203 -1.460 18096 1826 1 3 . 1 1 64 64 SER H H 64 8.127 8.127 7.445 0.682 18096 1827 1 3 . 1 1 65 65 SER N N 65 116.921 116.921 116.751 0.170 18096 1828 1 3 . 1 1 65 65 SER HA H 65 4.453 4.453 4.470 -0.017 18096 1829 1 3 . 1 1 65 65 SER C C 65 174.100 174.100 174.084 0.016 18096 1830 1 3 . 1 1 65 65 SER CA C 65 58.584 58.584 58.880 -0.296 18096 1831 1 3 . 1 1 65 65 SER CB C 65 63.668 63.668 63.868 -0.200 18096 1832 1 3 . 1 1 65 65 SER H H 65 8.169 8.169 8.414 -0.245 18096 1833 1 3 . 1 1 66 66 ASP N N 66 120.478 120.478 121.328 -0.850 18096 1834 1 3 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.752 -0.128 18096 1835 1 3 . 1 1 66 66 ASP C C 66 175.730 175.730 175.990 -0.260 18096 1836 1 3 . 1 1 66 66 ASP CA C 66 54.245 54.245 53.611 0.634 18096 1837 1 3 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.003 0.192 18096 1838 1 3 . 1 1 66 66 ASP H H 66 8.154 8.154 8.032 0.122 18096 1839 1 3 . 1 1 67 67 SER N N 67 115.159 115.159 116.303 -1.144 18096 1840 1 3 . 1 1 67 67 SER HA H 67 4.528 4.528 4.225 0.303 18096 1841 1 3 . 1 1 67 67 SER CA C 67 56.493 56.493 57.709 -1.216 18096 1842 1 3 . 1 1 67 67 SER CB C 67 63.604 63.604 63.306 0.298 18096 1843 1 3 . 1 1 67 67 SER H H 67 7.930 7.930 8.840 -0.910 18096 1844 1 3 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.630 -0.235 18096 1845 1 3 . 1 1 68 68 PRO C C 68 176.652 176.652 177.140 -0.488 18096 1846 1 3 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.549 1.044 18096 1847 1 3 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.320 -0.968 18096 1848 1 3 . 1 1 69 69 SER N N 69 115.859 115.859 114.051 1.808 18096 1849 1 3 . 1 1 69 69 SER HA H 69 4.436 4.436 4.584 -0.148 18096 1850 1 3 . 1 1 69 69 SER C C 69 174.611 174.611 175.271 -0.660 18096 1851 1 3 . 1 1 69 69 SER CA C 69 58.264 58.264 58.118 0.146 18096 1852 1 3 . 1 1 69 69 SER CB C 69 63.919 63.919 63.749 0.170 18096 1853 1 3 . 1 1 69 69 SER H H 69 8.256 8.256 8.824 -0.568 18096 1854 1 3 . 1 1 70 70 VAL N N 70 117.241 117.241 122.381 -5.140 18096 1855 1 3 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.017 -0.215 18096 1856 1 3 . 1 1 70 70 VAL C C 70 177.772 177.772 177.354 0.418 18096 1857 1 3 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.721 0.923 18096 1858 1 3 . 1 1 70 70 VAL CB C 70 31.896 31.896 32.001 -0.105 18096 1859 1 3 . 1 1 70 70 VAL H H 70 8.211 8.211 8.009 0.202 18096 1860 1 3 . 1 1 71 71 GLY N N 71 106.999 106.999 107.071 -0.072 18096 1861 1 3 . 1 1 71 71 GLY C C 71 175.551 175.551 176.064 -0.513 18096 1862 1 3 . 1 1 71 71 GLY CA C 71 47.245 47.245 47.134 0.111 18096 1863 1 3 . 1 1 71 71 GLY H H 71 8.566 8.566 8.509 0.057 18096 1864 1 3 . 1 1 72 72 GLU N N 72 121.376 121.376 122.739 -1.363 18096 1865 1 3 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.911 -0.022 18096 1866 1 3 . 1 1 72 72 GLU C C 72 178.495 178.495 178.671 -0.176 18096 1867 1 3 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.856 0.262 18096 1868 1 3 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.202 0.388 18096 1869 1 3 . 1 1 72 72 GLU H H 72 7.919 7.919 7.749 0.170 18096 1870 1 3 . 1 1 73 73 TYR N N 73 117.643 117.643 118.074 -0.431 18096 1871 1 3 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.242 -0.180 18096 1872 1 3 . 1 1 73 73 TYR C C 73 179.921 179.921 178.475 1.446 18096 1873 1 3 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.442 1.688 18096 1874 1 3 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.942 0.975 18096 1875 1 3 . 1 1 73 73 TYR H H 73 8.095 8.095 7.064 1.031 18096 1876 1 3 . 1 1 74 74 LEU N N 74 121.712 121.712 121.406 0.306 18096 1877 1 3 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.030 0.033 18096 1878 1 3 . 1 1 74 74 LEU C C 74 178.385 178.385 178.703 -0.318 18096 1879 1 3 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.779 0.695 18096 1880 1 3 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.591 0.347 18096 1881 1 3 . 1 1 74 74 LEU H H 74 8.615 8.615 8.526 0.089 18096 1882 1 3 . 1 1 75 75 MET N N 75 119.087 119.087 119.156 -0.069 18096 1883 1 3 . 1 1 75 75 MET HA H 75 4.056 4.056 4.048 0.008 18096 1884 1 3 . 1 1 75 75 MET C C 75 177.851 177.851 178.513 -0.662 18096 1885 1 3 . 1 1 75 75 MET CA C 75 59.166 59.166 59.793 -0.627 18096 1886 1 3 . 1 1 75 75 MET CB C 75 32.093 32.093 32.437 -0.344 18096 1887 1 3 . 1 1 75 75 MET H H 75 8.362 8.362 8.454 -0.092 18096 1888 1 3 . 1 1 76 76 PHE N N 76 117.788 117.788 117.400 0.388 18096 1889 1 3 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.258 -0.153 18096 1890 1 3 . 1 1 76 76 PHE C C 76 177.305 177.305 177.965 -0.660 18096 1891 1 3 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.936 0.440 18096 1892 1 3 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.144 0.817 18096 1893 1 3 . 1 1 76 76 PHE H H 76 8.471 8.471 8.152 0.319 18096 1894 1 3 . 1 1 77 77 THR N N 77 115.298 115.298 116.587 -1.289 18096 1895 1 3 . 1 1 77 77 THR HA H 77 3.673 3.673 4.027 -0.354 18096 1896 1 3 . 1 1 77 77 THR C C 77 176.057 176.057 176.433 -0.376 18096 1897 1 3 . 1 1 77 77 THR CA C 77 68.423 68.423 67.171 1.252 18096 1898 1 3 . 1 1 77 77 THR CB C 77 68.204 68.204 68.840 -0.636 18096 1899 1 3 . 1 1 77 77 THR H H 77 8.179 8.179 8.547 -0.368 18096 1900 1 3 . 1 1 78 78 MET N N 78 119.204 119.204 120.939 -1.735 18096 1901 1 3 . 1 1 78 78 MET HA H 78 4.092 4.092 4.161 -0.069 18096 1902 1 3 . 1 1 78 78 MET C C 78 179.421 179.421 178.390 1.031 18096 1903 1 3 . 1 1 78 78 MET CA C 78 58.810 58.810 58.865 -0.055 18096 1904 1 3 . 1 1 78 78 MET CB C 78 32.176 32.176 31.983 0.193 18096 1905 1 3 . 1 1 78 78 MET H H 78 8.310 8.310 8.663 -0.353 18096 1906 1 3 . 1 1 79 79 VAL N N 79 122.115 122.115 119.594 2.521 18096 1907 1 3 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.675 -0.183 18096 1908 1 3 . 1 1 79 79 VAL C C 79 176.866 176.866 178.562 -1.696 18096 1909 1 3 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.991 0.383 18096 1910 1 3 . 1 1 79 79 VAL CB C 79 31.615 31.615 30.912 0.703 18096 1911 1 3 . 1 1 79 79 VAL H H 79 8.239 8.239 8.105 0.134 18096 1912 1 3 . 1 1 80 80 LEU N N 80 120.240 120.240 120.040 0.200 18096 1913 1 3 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.087 -0.148 18096 1914 1 3 . 1 1 80 80 LEU C C 80 180.078 180.078 179.193 0.885 18096 1915 1 3 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.170 0.427 18096 1916 1 3 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.060 -0.119 18096 1917 1 3 . 1 1 80 80 LEU H H 80 8.058 8.058 7.476 0.582 18096 1918 1 3 . 1 1 81 81 VAL N N 81 120.008 120.008 119.668 0.340 18096 1919 1 3 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.609 -0.151 18096 1920 1 3 . 1 1 81 81 VAL C C 81 177.670 177.670 178.153 -0.483 18096 1921 1 3 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.340 -0.003 18096 1922 1 3 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.026 0.589 18096 1923 1 3 . 1 1 81 81 VAL H H 81 8.800 8.800 8.656 0.144 18096 1924 1 3 . 1 1 82 82 THR N N 82 116.872 116.872 116.219 0.653 18096 1925 1 3 . 1 1 82 82 THR HA H 82 3.676 3.676 4.051 -0.375 18096 1926 1 3 . 1 1 82 82 THR C C 82 176.268 176.268 176.606 -0.338 18096 1927 1 3 . 1 1 82 82 THR CA C 82 68.590 68.590 66.436 2.154 18096 1928 1 3 . 1 1 82 82 THR CB C 82 68.468 68.468 68.369 0.099 18096 1929 1 3 . 1 1 82 82 THR H H 82 8.109 8.109 8.542 -0.433 18096 1930 1 3 . 1 1 83 83 PHE N N 83 119.777 119.777 121.853 -2.076 18096 1931 1 3 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.365 -0.284 18096 1932 1 3 . 1 1 83 83 PHE C C 83 178.015 178.015 176.900 1.115 18096 1933 1 3 . 1 1 83 83 PHE CA C 83 61.612 61.612 59.214 2.398 18096 1934 1 3 . 1 1 83 83 PHE CB C 83 38.686 38.686 39.056 -0.370 18096 1935 1 3 . 1 1 83 83 PHE H H 83 8.754 8.754 7.912 0.842 18096 1936 1 3 . 1 1 84 84 SER N N 84 117.769 117.769 117.606 0.163 18096 1937 1 3 . 1 1 84 84 SER HA H 84 4.091 4.091 3.800 0.291 18096 1938 1 3 . 1 1 84 84 SER C C 84 175.899 175.899 176.866 -0.967 18096 1939 1 3 . 1 1 84 84 SER CA C 84 63.269 63.269 61.916 1.353 18096 1940 1 3 . 1 1 84 84 SER CB C 84 62.962 62.962 63.328 -0.366 18096 1941 1 3 . 1 1 84 84 SER H H 84 8.335 8.335 8.700 -0.365 18096 1942 1 3 . 1 1 85 85 ILE N N 85 122.986 122.986 122.432 0.554 18096 1943 1 3 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.860 -0.211 18096 1944 1 3 . 1 1 85 85 ILE C C 85 177.778 177.778 178.287 -0.509 18096 1945 1 3 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.870 1.634 18096 1946 1 3 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.508 1.607 18096 1947 1 3 . 1 1 85 85 ILE H H 85 8.187 8.187 8.457 -0.270 18096 1948 1 3 . 1 1 86 86 VAL N N 86 117.289 117.289 119.920 -2.631 18096 1949 1 3 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.640 -0.131 18096 1950 1 3 . 1 1 86 86 VAL C C 86 177.816 177.816 178.637 -0.821 18096 1951 1 3 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.954 0.092 18096 1952 1 3 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.205 0.392 18096 1953 1 3 . 1 1 86 86 VAL H H 86 8.367 8.367 7.627 0.740 18096 1954 1 3 . 1 1 87 87 THR N N 87 116.788 116.788 115.178 1.610 18096 1955 1 3 . 1 1 87 87 THR HA H 87 3.758 3.758 3.921 -0.163 18096 1956 1 3 . 1 1 87 87 THR C C 87 176.095 176.095 176.710 -0.615 18096 1957 1 3 . 1 1 87 87 THR CA C 87 67.248 67.248 66.007 1.241 18096 1958 1 3 . 1 1 87 87 THR H H 87 8.007 8.007 8.093 -0.086 18096 1959 1 3 . 1 1 88 88 SER N N 88 116.157 116.157 117.874 -1.717 18096 1960 1 3 . 1 1 88 88 SER HA H 88 4.018 4.018 4.184 -0.166 18096 1961 1 3 . 1 1 88 88 SER C C 88 174.932 174.932 176.690 -1.758 18096 1962 1 3 . 1 1 88 88 SER CA C 88 62.717 62.717 61.604 1.113 18096 1963 1 3 . 1 1 88 88 SER CB C 88 62.954 62.954 62.832 0.122 18096 1964 1 3 . 1 1 88 88 SER H H 88 7.662 7.662 8.173 -0.511 18096 1965 1 3 . 1 1 89 89 VAL N N 89 117.956 117.956 117.943 0.013 18096 1966 1 3 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.893 -0.377 18096 1967 1 3 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.203 2.063 18096 1968 1 3 . 1 1 89 89 VAL H H 89 8.274 8.274 7.853 0.421 18096 1969 1 3 . 1 1 90 90 CYS N N 90 116.319 116.319 118.189 -1.870 18096 1970 1 3 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.211 0.018 18096 1971 1 3 . 1 1 90 90 CYS C C 90 175.174 175.174 176.059 -0.885 18096 1972 1 3 . 1 1 90 90 CYS CA C 90 62.618 62.618 61.506 1.112 18096 1973 1 3 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.966 -0.175 18096 1974 1 3 . 1 1 90 90 CYS H H 90 7.654 7.654 7.513 0.141 18096 1975 1 3 . 1 1 91 91 VAL N N 91 115.534 115.534 118.954 -3.420 18096 1976 1 3 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.923 -0.297 18096 1977 1 3 . 1 1 91 91 VAL C C 91 176.038 176.038 177.615 -1.577 18096 1978 1 3 . 1 1 91 91 VAL CA C 91 63.608 63.608 64.847 -1.239 18096 1979 1 3 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.057 -0.135 18096 1980 1 3 . 1 1 91 91 VAL H H 91 7.760 7.760 7.354 0.406 18096 1981 1 3 . 1 1 92 92 LEU N N 92 119.713 119.713 119.725 -0.012 18096 1982 1 3 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.079 0.161 18096 1983 1 3 . 1 1 92 92 LEU C C 92 176.769 176.769 176.835 -0.066 18096 1984 1 3 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.029 -1.439 18096 1985 1 3 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.603 -0.671 18096 1986 1 3 . 1 1 92 92 LEU H H 92 7.732 7.732 7.776 -0.044 18096 1987 1 3 . 1 1 93 93 ASN N N 93 117.817 117.817 111.816 6.001 18096 1988 1 3 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.802 -0.126 18096 1989 1 3 . 1 1 93 93 ASN C C 93 174.955 174.955 172.709 2.246 18096 1990 1 3 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.470 0.785 18096 1991 1 3 . 1 1 93 93 ASN CB C 93 39.508 39.508 41.472 -1.964 18096 1992 1 3 . 1 1 93 93 ASN H H 93 7.916 7.916 7.659 0.257 18096 1993 1 3 . 1 1 94 94 VAL N N 94 118.650 118.650 118.796 -0.146 18096 1994 1 3 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.293 -0.269 18096 1995 1 3 . 1 1 94 94 VAL C C 94 175.740 175.740 175.061 0.679 18096 1996 1 3 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.282 1.250 18096 1997 1 3 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.368 -0.736 18096 1998 1 3 . 1 1 94 94 VAL H H 94 7.730 7.730 8.185 -0.455 18096 1999 1 3 . 1 1 95 95 HIS N N 95 121.293 121.293 127.382 -6.089 18096 2000 1 3 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.824 -0.205 18096 2001 1 3 . 1 1 95 95 HIS C C 95 174.146 174.146 174.120 0.026 18096 2002 1 3 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.290 -0.708 18096 2003 1 3 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.705 -1.950 18096 2004 1 3 . 1 1 95 95 HIS H H 95 8.341 8.341 8.741 -0.400 18096 2005 1 3 . 1 1 96 96 HIS N N 96 122.728 122.728 124.367 -1.639 18096 2006 1 3 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.028 0.607 18096 2007 1 3 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.291 -0.709 18096 2008 1 3 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.131 0.642 18096 2009 1 3 . 1 1 96 96 HIS H H 96 8.333 8.333 8.495 -0.162 18096 2010 1 3 . 1 1 97 97 ARG HA H 97 4.295 4.295 3.987 0.308 18096 2011 1 3 . 1 1 97 97 ARG C C 97 175.776 175.776 174.700 1.076 18096 2012 1 3 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.803 -0.573 18096 2013 1 3 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.800 0.230 18096 2014 1 3 . 1 1 98 98 SER N N 98 118.439 118.439 115.094 3.345 18096 2015 1 3 . 1 1 98 98 SER HA H 98 4.736 4.736 4.809 -0.073 18096 2016 1 3 . 1 1 98 98 SER CA C 98 56.614 56.614 56.728 -0.114 18096 2017 1 3 . 1 1 98 98 SER CB C 98 63.622 63.622 63.376 0.246 18096 2018 1 3 . 1 1 98 98 SER H H 98 8.250 8.250 8.184 0.066 18096 2019 1 3 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.457 -0.063 18096 2020 1 3 . 1 1 99 99 PRO C C 99 176.879 176.879 176.956 -0.077 18096 2021 1 3 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.181 -0.484 18096 2022 1 3 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.216 -0.170 18096 2023 1 3 . 1 1 100 100 GLU N N 100 120.297 120.297 115.696 4.601 18096 2024 1 3 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.592 -0.293 18096 2025 1 3 . 1 1 100 100 GLU C C 100 176.576 176.576 174.806 1.770 18096 2026 1 3 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.901 0.566 18096 2027 1 3 . 1 1 100 100 GLU CB C 100 29.944 29.944 32.352 -2.408 18096 2028 1 3 . 1 1 100 100 GLU H H 100 8.391 8.391 7.817 0.574 18096 2029 1 3 . 1 1 101 101 THR N N 101 114.144 114.144 113.903 0.241 18096 2030 1 3 . 1 1 101 101 THR HA H 101 4.280 4.280 4.678 -0.398 18096 2031 1 3 . 1 1 101 101 THR C C 101 174.515 174.515 174.888 -0.373 18096 2032 1 3 . 1 1 101 101 THR CA C 101 61.975 61.975 61.946 0.029 18096 2033 1 3 . 1 1 101 101 THR CB C 101 69.817 69.817 69.929 -0.112 18096 2034 1 3 . 1 1 101 101 THR H H 101 7.946 7.946 8.377 -0.431 18096 2035 1 3 . 1 1 102 102 HIS N N 102 120.429 120.429 125.110 -4.681 18096 2036 1 3 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.244 0.506 18096 2037 1 3 . 1 1 102 102 HIS C C 102 174.764 174.764 175.741 -0.977 18096 2038 1 3 . 1 1 102 102 HIS CA C 102 55.685 55.685 58.662 -2.977 18096 2039 1 3 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.170 -0.925 18096 2040 1 3 . 1 1 102 102 HIS H H 102 8.459 8.459 8.939 -0.480 18096 2041 1 3 . 1 1 103 103 THR N N 103 114.319 114.319 114.545 -0.226 18096 2042 1 3 . 1 1 103 103 THR HA H 103 4.345 4.345 4.092 0.253 18096 2043 1 3 . 1 1 103 103 THR C C 103 175.087 175.087 175.713 -0.626 18096 2044 1 3 . 1 1 103 103 THR CA C 103 61.976 61.976 63.170 -1.194 18096 2045 1 3 . 1 1 103 103 THR CB C 103 69.831 69.831 67.554 2.277 18096 2046 1 3 . 1 1 103 103 THR H H 103 8.068 8.068 8.372 -0.304 18096 2047 1 3 . 1 1 104 104 GLY N N 104 111.143 111.143 112.129 -0.986 18096 2048 1 3 . 1 1 104 104 GLY C C 104 174.757 174.757 174.075 0.682 18096 2049 1 3 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.150 0.452 18096 2050 1 3 . 1 1 104 104 GLY H H 104 8.389 8.389 8.669 -0.280 18096 2051 1 3 . 1 1 105 105 GLY N N 105 108.642 108.642 109.455 -0.813 18096 2052 1 3 . 1 1 105 105 GLY C C 105 174.892 174.892 173.563 1.329 18096 2053 1 3 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.592 0.010 18096 2054 1 3 . 1 1 105 105 GLY H H 105 8.272 8.272 7.690 0.582 18096 2055 1 3 . 1 1 106 106 GLY N N 106 108.820 108.820 110.775 -1.955 18096 2056 1 3 . 1 1 106 106 GLY C C 106 174.886 174.886 174.350 0.536 18096 2057 1 3 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.682 -0.080 18096 2058 1 3 . 1 1 106 106 GLY H H 106 8.359 8.359 8.098 0.261 18096 2059 1 3 . 1 1 107 107 GLY N N 107 108.550 108.550 107.644 0.906 18096 2060 1 3 . 1 1 107 107 GLY C C 107 174.886 174.886 174.777 0.109 18096 2061 1 3 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.984 0.618 18096 2062 1 3 . 1 1 107 107 GLY H H 107 8.338 8.338 8.362 -0.024 18096 2063 1 3 . 1 1 108 108 GLY N N 108 108.519 108.519 108.999 -0.480 18096 2064 1 3 . 1 1 108 108 GLY C C 108 175.411 175.411 175.603 -0.192 18096 2065 1 3 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.949 0.858 18096 2066 1 3 . 1 1 108 108 GLY H H 108 8.336 8.336 8.338 -0.002 18096 2067 1 3 . 1 1 109 109 ILE N N 109 120.914 120.914 120.233 0.681 18096 2068 1 3 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.768 0.208 18096 2069 1 3 . 1 1 109 109 ILE C C 109 176.019 176.019 176.101 -0.082 18096 2070 1 3 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.118 -1.191 18096 2071 1 3 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.733 0.340 18096 2072 1 3 . 1 1 109 109 ILE H H 109 8.233 8.233 8.382 -0.149 18096 2073 1 3 . 1 1 110 110 ASP N N 110 121.149 121.149 120.456 0.693 18096 2074 1 3 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.718 -0.466 18096 2075 1 3 . 1 1 110 110 ASP C C 110 177.648 177.648 178.633 -0.985 18096 2076 1 3 . 1 1 110 110 ASP CA C 110 56.801 56.801 58.388 -1.587 18096 2077 1 3 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.041 0.140 18096 2078 1 3 . 1 1 110 110 ASP H H 110 8.369 8.369 8.446 -0.077 18096 2079 1 3 . 1 1 111 111 ARG N N 111 119.198 119.198 120.093 -0.895 18096 2080 1 3 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.286 -0.297 18096 2081 1 3 . 1 1 111 111 ARG C C 111 177.502 177.502 178.747 -1.245 18096 2082 1 3 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.770 -0.050 18096 2083 1 3 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.872 0.231 18096 2084 1 3 . 1 1 111 111 ARG H H 111 7.835 7.835 8.379 -0.544 18096 2085 1 3 . 1 1 112 112 LEU N N 112 118.935 118.935 120.765 -1.830 18096 2086 1 3 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.026 -0.023 18096 2087 1 3 . 1 1 112 112 LEU C C 112 178.356 178.356 178.548 -0.192 18096 2088 1 3 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.465 -0.230 18096 2089 1 3 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.094 -0.351 18096 2090 1 3 . 1 1 112 112 LEU H H 112 7.783 7.783 8.473 -0.690 18096 2091 1 3 . 1 1 113 113 PHE N N 113 116.117 116.117 119.356 -3.239 18096 2092 1 3 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.371 -0.287 18096 2093 1 3 . 1 1 113 113 PHE C C 113 177.092 177.092 176.998 0.094 18096 2094 1 3 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.604 1.788 18096 2095 1 3 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.008 -0.117 18096 2096 1 3 . 1 1 113 113 PHE H H 113 8.072 8.072 7.946 0.126 18096 2097 1 3 . 1 1 114 114 LEU N N 114 118.710 118.710 121.126 -2.416 18096 2098 1 3 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.384 0.617 18096 2099 1 3 . 1 1 114 114 LEU C C 114 178.210 178.210 178.456 -0.246 18096 2100 1 3 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.616 -0.107 18096 2101 1 3 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.984 -0.200 18096 2102 1 3 . 1 1 114 114 LEU H H 114 7.881 7.881 8.174 -0.293 18096 2103 1 3 . 1 1 115 115 TRP N N 115 117.801 117.801 120.512 -2.711 18096 2104 1 3 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.468 -0.186 18096 2105 1 3 . 1 1 115 115 TRP C C 115 178.536 178.536 178.617 -0.081 18096 2106 1 3 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.435 0.309 18096 2107 1 3 . 1 1 115 115 TRP CB C 115 29.125 29.125 30.082 -0.957 18096 2108 1 3 . 1 1 115 115 TRP H H 115 7.925 7.925 8.072 -0.147 18096 2109 1 3 . 1 1 116 116 ILE N N 116 118.212 118.212 119.836 -1.624 18096 2110 1 3 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.770 -0.076 18096 2111 1 3 . 1 1 116 116 ILE C C 116 177.423 177.423 177.902 -0.479 18096 2112 1 3 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.281 0.706 18096 2113 1 3 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.842 0.309 18096 2114 1 3 . 1 1 116 116 ILE H H 116 8.355 8.355 8.484 -0.129 18096 2115 1 3 . 1 1 117 117 PHE N N 117 119.509 119.509 119.285 0.224 18096 2116 1 3 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.306 -0.212 18096 2117 1 3 . 1 1 117 117 PHE C C 117 177.389 177.389 177.361 0.028 18096 2118 1 3 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.373 0.572 18096 2119 1 3 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.879 0.060 18096 2120 1 3 . 1 1 117 117 PHE H H 117 8.419 8.419 7.568 0.851 18096 2121 1 3 . 1 1 118 118 VAL N N 118 118.927 118.927 118.949 -0.022 18096 2122 1 3 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.532 -0.022 18096 2123 1 3 . 1 1 118 118 VAL C C 118 177.452 177.452 178.344 -0.892 18096 2124 1 3 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.346 1.094 18096 2125 1 3 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.960 0.502 18096 2126 1 3 . 1 1 118 118 VAL H H 118 8.509 8.509 7.546 0.963 18096 2127 1 3 . 1 1 119 119 PHE N N 119 118.638 118.638 121.161 -2.523 18096 2128 1 3 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.264 -0.224 18096 2129 1 3 . 1 1 119 119 PHE C C 119 177.403 177.403 177.507 -0.104 18096 2130 1 3 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.233 0.370 18096 2131 1 3 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.108 0.037 18096 2132 1 3 . 1 1 119 119 PHE H H 119 8.477 8.477 8.333 0.144 18096 2133 1 3 . 1 1 120 120 VAL N N 120 118.660 118.660 119.601 -0.941 18096 2134 1 3 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.619 -0.152 18096 2135 1 3 . 1 1 120 120 VAL C C 120 177.851 177.851 177.367 0.484 18096 2136 1 3 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.611 1.825 18096 2137 1 3 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.627 0.032 18096 2138 1 3 . 1 1 120 120 VAL H H 120 8.705 8.705 7.702 1.003 18096 2139 1 3 . 1 1 121 121 CYS N N 121 117.055 117.055 118.791 -1.736 18096 2140 1 3 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.056 -0.154 18096 2141 1 3 . 1 1 121 121 CYS C C 121 177.629 177.629 176.384 1.245 18096 2142 1 3 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.460 1.879 18096 2143 1 3 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.503 0.286 18096 2144 1 3 . 1 1 121 121 CYS H H 121 7.981 7.981 8.572 -0.591 18096 2145 1 3 . 1 1 122 122 VAL N N 122 120.422 120.422 120.362 0.060 18096 2146 1 3 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.612 -0.133 18096 2147 1 3 . 1 1 122 122 VAL C C 122 176.923 176.923 178.059 -1.136 18096 2148 1 3 . 1 1 122 122 VAL CA C 122 67.261 67.261 67.066 0.195 18096 2149 1 3 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.240 0.886 18096 2150 1 3 . 1 1 122 122 VAL H H 122 8.487 8.487 7.628 0.859 18096 2151 1 3 . 1 1 123 123 PHE N N 123 117.927 117.927 121.000 -3.073 18096 2152 1 3 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.021 0.013 18096 2153 1 3 . 1 1 123 123 PHE C C 123 178.151 178.151 177.687 0.464 18096 2154 1 3 . 1 1 123 123 PHE CA C 123 62.094 62.094 62.260 -0.166 18096 2155 1 3 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.848 -0.211 18096 2156 1 3 . 1 1 123 123 PHE H H 123 8.630 8.630 8.407 0.223 18096 2157 1 3 . 1 1 124 124 GLY N N 124 106.539 106.539 105.843 0.696 18096 2158 1 3 . 1 1 124 124 GLY C C 124 174.290 174.290 175.908 -1.618 18096 2159 1 3 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.570 -0.019 18096 2160 1 3 . 1 1 124 124 GLY H H 124 8.689 8.689 8.433 0.256 18096 2161 1 3 . 1 1 125 125 THR N N 125 117.059 117.059 119.007 -1.948 18096 2162 1 3 . 1 1 125 125 THR HA H 125 3.649 3.649 3.997 -0.348 18096 2163 1 3 . 1 1 125 125 THR C C 125 176.231 176.231 176.702 -0.471 18096 2164 1 3 . 1 1 125 125 THR CA C 125 67.989 67.989 66.993 0.996 18096 2165 1 3 . 1 1 125 125 THR H H 125 7.553 7.553 7.961 -0.408 18096 2166 1 3 . 1 1 126 126 ILE N N 126 119.538 119.538 120.386 -0.848 18096 2167 1 3 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.808 -0.160 18096 2168 1 3 . 1 1 126 126 ILE C C 126 177.976 177.976 178.207 -0.231 18096 2169 1 3 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.922 1.793 18096 2170 1 3 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.776 1.054 18096 2171 1 3 . 1 1 126 126 ILE H H 126 8.003 8.003 8.093 -0.090 18096 2172 1 3 . 1 1 127 127 GLY N N 127 105.404 105.404 108.066 -2.662 18096 2173 1 3 . 1 1 127 127 GLY C C 127 174.597 174.597 176.437 -1.840 18096 2174 1 3 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.974 0.596 18096 2175 1 3 . 1 1 127 127 GLY H H 127 8.438 8.438 7.854 0.584 18096 2176 1 3 . 1 1 128 128 MET N N 128 117.893 117.893 119.318 -1.425 18096 2177 1 3 . 1 1 128 128 MET HA H 128 4.153 4.153 4.378 -0.225 18096 2178 1 3 . 1 1 128 128 MET C C 128 177.815 177.815 177.889 -0.074 18096 2179 1 3 . 1 1 128 128 MET CA C 128 58.198 58.198 57.839 0.359 18096 2180 1 3 . 1 1 128 128 MET CB C 128 32.113 32.113 32.821 -0.708 18096 2181 1 3 . 1 1 128 128 MET H H 128 7.821 7.821 7.594 0.227 18096 2182 1 3 . 1 1 129 129 PHE N N 129 116.018 116.018 121.727 -5.709 18096 2183 1 3 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.247 -0.113 18096 2184 1 3 . 1 1 129 129 PHE C C 129 175.863 175.863 175.387 0.476 18096 2185 1 3 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.457 -0.642 18096 2186 1 3 . 1 1 129 129 PHE CB C 129 39.090 39.090 38.879 0.211 18096 2187 1 3 . 1 1 129 129 PHE H H 129 7.797 7.797 8.315 -0.518 18096 2188 1 3 . 1 1 130 130 LEU N N 130 115.806 115.806 117.190 -1.384 18096 2189 1 3 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.059 0.279 18096 2190 1 3 . 1 1 130 130 LEU C C 130 177.219 177.219 177.400 -0.181 18096 2191 1 3 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.731 0.736 18096 2192 1 3 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.117 0.307 18096 2193 1 3 . 1 1 130 130 LEU H H 130 7.745 7.745 7.425 0.320 18096 2194 1 3 . 1 1 131 131 GLN N N 131 118.630 118.630 119.566 -0.936 18096 2195 1 3 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.086 0.018 18096 2196 1 3 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.061 2.258 18096 2197 1 3 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.454 -0.634 18096 2198 1 3 . 1 1 131 131 GLN H H 131 7.808 7.808 7.346 0.462 18096 2199 1 3 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.349 0.024 18096 2200 1 3 . 1 1 132 132 PRO C C 132 177.739 177.739 177.049 0.690 18096 2201 1 3 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.351 3.032 18096 2202 1 3 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.192 -0.666 18096 2203 1 3 . 1 1 133 133 LEU N N 133 115.632 115.632 117.328 -1.696 18096 2204 1 3 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.106 -0.042 18096 2205 1 3 . 1 1 133 133 LEU C C 133 176.918 176.918 176.405 0.513 18096 2206 1 3 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.760 -0.359 18096 2207 1 3 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.145 -0.156 18096 2208 1 3 . 1 1 133 133 LEU H H 133 7.689 7.689 8.134 -0.445 18096 2209 1 3 . 1 1 134 134 PHE N N 134 114.807 114.807 115.429 -0.622 18096 2210 1 3 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.553 -0.024 18096 2211 1 3 . 1 1 134 134 PHE C C 134 175.245 175.245 174.729 0.516 18096 2212 1 3 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.118 0.620 18096 2213 1 3 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.969 -0.360 18096 2214 1 3 . 1 1 134 134 PHE H H 134 7.679 7.679 7.356 0.323 18096 2215 1 3 . 1 1 135 135 GLN N N 135 118.318 118.318 118.503 -0.185 18096 2216 1 3 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.134 0.181 18096 2217 1 3 . 1 1 135 135 GLN C C 135 175.361 175.361 176.703 -1.342 18096 2218 1 3 . 1 1 135 135 GLN CA C 135 56.107 56.107 58.194 -2.087 18096 2219 1 3 . 1 1 135 135 GLN CB C 135 29.866 29.866 28.939 0.927 18096 2220 1 3 . 1 1 135 135 GLN H H 135 7.651 7.651 8.825 -1.174 18096 2221 1 3 . 1 1 136 136 GLU N N 136 120.684 120.684 120.785 -0.101 18096 2222 1 3 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.436 -0.125 18096 2223 1 3 . 1 1 136 136 GLU C C 136 175.153 175.153 175.835 -0.682 18096 2224 1 3 . 1 1 136 136 GLU CA C 136 56.475 56.475 55.613 0.862 18096 2225 1 3 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.534 1.698 18096 2226 1 3 . 1 1 136 136 GLU H H 136 8.109 8.109 8.643 -0.534 18096 2227 1 4 . 1 1 3 3 ALA N N 3 124.656 124.656 122.828 1.828 18096 2228 1 4 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.413 -0.207 18096 2229 1 4 . 1 1 3 3 ALA C C 3 178.133 178.133 176.253 1.880 18096 2230 1 4 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.482 1.203 18096 2231 1 4 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.176 -0.093 18096 2232 1 4 . 1 1 3 3 ALA H H 3 8.402 8.402 8.062 0.340 18096 2233 1 4 . 1 1 4 4 GLU N N 4 117.439 117.439 119.693 -2.254 18096 2234 1 4 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.412 -0.283 18096 2235 1 4 . 1 1 4 4 GLU C C 4 176.534 176.534 176.533 0.001 18096 2236 1 4 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.060 1.364 18096 2237 1 4 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.668 0.216 18096 2238 1 4 . 1 1 4 4 GLU H H 4 8.219 8.219 8.478 -0.259 18096 2239 1 4 . 1 1 5 5 GLU N N 5 118.815 118.815 117.885 0.930 18096 2240 1 4 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.282 -0.071 18096 2241 1 4 . 1 1 5 5 GLU C C 5 176.604 176.604 177.175 -0.571 18096 2242 1 4 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.545 0.405 18096 2243 1 4 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.070 0.892 18096 2244 1 4 . 1 1 5 5 GLU H H 5 7.992 7.992 8.357 -0.365 18096 2245 1 4 . 1 1 6 6 GLU N N 6 121.446 121.446 122.641 -1.195 18096 2246 1 4 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.150 0.034 18096 2247 1 4 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.494 -3.073 18096 2248 1 4 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.073 0.910 18096 2249 1 4 . 1 1 6 6 GLU H H 6 8.148 8.148 8.720 -0.572 18096 2250 1 4 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.357 -0.094 18096 2251 1 4 . 1 1 7 7 PRO C C 7 178.717 178.717 178.534 0.183 18096 2252 1 4 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.038 0.491 18096 2253 1 4 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.260 0.063 18096 2254 1 4 . 1 1 8 8 LEU N N 8 119.642 119.642 119.005 0.637 18096 2255 1 4 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.138 -0.186 18096 2256 1 4 . 1 1 8 8 LEU C C 8 177.905 177.905 177.537 0.368 18096 2257 1 4 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.124 0.807 18096 2258 1 4 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.792 -0.019 18096 2259 1 4 . 1 1 8 8 LEU H H 8 8.222 8.222 8.097 0.125 18096 2260 1 4 . 1 1 9 9 PHE N N 9 118.625 118.625 119.773 -1.148 18096 2261 1 4 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.153 0.019 18096 2262 1 4 . 1 1 9 9 PHE C C 9 177.620 177.620 176.911 0.709 18096 2263 1 4 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.007 1.065 18096 2264 1 4 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.805 0.033 18096 2265 1 4 . 1 1 9 9 PHE H H 9 8.071 8.071 7.622 0.449 18096 2266 1 4 . 1 1 10 10 TYR N N 10 117.829 117.829 119.559 -1.730 18096 2267 1 4 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.039 0.151 18096 2268 1 4 . 1 1 10 10 TYR C C 10 177.743 177.743 177.412 0.331 18096 2269 1 4 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.505 -0.297 18096 2270 1 4 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.986 -0.271 18096 2271 1 4 . 1 1 10 10 TYR H H 10 8.204 8.204 7.885 0.319 18096 2272 1 4 . 1 1 11 11 THR N N 11 115.545 115.545 115.445 0.100 18096 2273 1 4 . 1 1 11 11 THR HA H 11 3.875 3.875 3.846 0.029 18096 2274 1 4 . 1 1 11 11 THR C C 11 175.937 175.937 176.900 -0.963 18096 2275 1 4 . 1 1 11 11 THR CA C 11 67.187 67.187 66.256 0.931 18096 2276 1 4 . 1 1 11 11 THR CB C 11 68.579 68.579 68.592 -0.013 18096 2277 1 4 . 1 1 11 11 THR H H 11 7.934 7.934 7.917 0.017 18096 2278 1 4 . 1 1 12 12 ILE N N 12 120.096 120.096 119.373 0.723 18096 2279 1 4 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.614 0.068 18096 2280 1 4 . 1 1 12 12 ILE C C 12 175.863 175.863 177.362 -1.499 18096 2281 1 4 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.659 -0.838 18096 2282 1 4 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.788 0.168 18096 2283 1 4 . 1 1 12 12 ILE H H 12 8.172 8.172 7.935 0.237 18096 2284 1 4 . 1 1 13 13 ASN N N 13 114.444 114.444 117.008 -2.564 18096 2285 1 4 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.429 -0.036 18096 2286 1 4 . 1 1 13 13 ASN C C 13 174.880 174.880 175.878 -0.998 18096 2287 1 4 . 1 1 13 13 ASN CA C 13 55.257 55.257 54.996 0.261 18096 2288 1 4 . 1 1 13 13 ASN CB C 13 39.546 39.546 37.966 1.580 18096 2289 1 4 . 1 1 13 13 ASN H H 13 7.731 7.731 7.612 0.119 18096 2290 1 4 . 1 1 14 14 LEU N N 14 115.306 115.306 118.872 -3.566 18096 2291 1 4 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.191 0.155 18096 2292 1 4 . 1 1 14 14 LEU C C 14 177.427 177.427 177.748 -0.321 18096 2293 1 4 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.520 -0.150 18096 2294 1 4 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.563 -0.797 18096 2295 1 4 . 1 1 14 14 LEU H H 14 7.381 7.381 7.321 0.060 18096 2296 1 4 . 1 1 15 15 ILE N N 15 117.935 117.935 120.230 -2.295 18096 2297 1 4 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.925 -0.327 18096 2298 1 4 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.047 3.405 18096 2299 1 4 . 1 1 15 15 ILE CB C 15 37.681 37.681 37.133 0.548 18096 2300 1 4 . 1 1 15 15 ILE H H 15 8.135 8.135 7.277 0.858 18096 2301 1 4 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.275 -0.229 18096 2302 1 4 . 1 1 17 17 PRO C C 17 177.518 177.518 178.559 -1.041 18096 2303 1 4 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.722 0.923 18096 2304 1 4 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.772 0.194 18096 2305 1 4 . 1 1 18 18 CYS N N 18 113.411 113.411 117.840 -4.429 18096 2306 1 4 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.052 -0.101 18096 2307 1 4 . 1 1 18 18 CYS C C 18 177.617 177.617 177.059 0.558 18096 2308 1 4 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.238 1.250 18096 2309 1 4 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.761 -0.993 18096 2310 1 4 . 1 1 18 18 CYS H H 18 7.338 7.338 7.537 -0.199 18096 2311 1 4 . 1 1 19 19 VAL N N 19 121.720 121.720 120.258 1.462 18096 2312 1 4 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.775 -0.254 18096 2313 1 4 . 1 1 19 19 VAL C C 19 178.069 178.069 178.095 -0.026 18096 2314 1 4 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.855 1.210 18096 2315 1 4 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.148 0.604 18096 2316 1 4 . 1 1 19 19 VAL H H 19 8.587 8.587 8.020 0.567 18096 2317 1 4 . 1 1 20 20 LEU N N 20 121.731 121.731 120.807 0.924 18096 2318 1 4 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.990 0.031 18096 2319 1 4 . 1 1 20 20 LEU C C 20 177.989 177.989 179.617 -1.628 18096 2320 1 4 . 1 1 20 20 LEU CA C 20 58.649 58.649 57.858 0.791 18096 2321 1 4 . 1 1 20 20 LEU CB C 20 41.934 41.934 40.719 1.215 18096 2322 1 4 . 1 1 20 20 LEU H H 20 8.344 8.344 7.455 0.889 18096 2323 1 4 . 1 1 21 21 ILE N N 21 117.403 117.403 119.382 -1.979 18096 2324 1 4 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.512 0.157 18096 2325 1 4 . 1 1 21 21 ILE C C 21 176.947 176.947 178.332 -1.385 18096 2326 1 4 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.866 -0.510 18096 2327 1 4 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.732 0.186 18096 2328 1 4 . 1 1 21 21 ILE H H 21 8.371 8.371 8.710 -0.339 18096 2329 1 4 . 1 1 22 22 THR N N 22 115.544 115.544 115.437 0.107 18096 2330 1 4 . 1 1 22 22 THR HA H 22 3.681 3.681 3.613 0.068 18096 2331 1 4 . 1 1 22 22 THR C C 22 176.073 176.073 176.587 -0.514 18096 2332 1 4 . 1 1 22 22 THR CA C 22 68.152 68.152 67.016 1.136 18096 2333 1 4 . 1 1 22 22 THR CB C 22 68.428 68.428 68.491 -0.063 18096 2334 1 4 . 1 1 22 22 THR H H 22 7.829 7.829 7.489 0.340 18096 2335 1 4 . 1 1 23 23 SER N N 23 116.192 116.192 118.033 -1.841 18096 2336 1 4 . 1 1 23 23 SER HA H 23 4.023 4.023 3.955 0.068 18096 2337 1 4 . 1 1 23 23 SER C C 23 175.279 175.279 176.657 -1.378 18096 2338 1 4 . 1 1 23 23 SER CA C 23 63.884 63.884 61.344 2.540 18096 2339 1 4 . 1 1 23 23 SER CB C 23 62.971 62.971 62.858 0.113 18096 2340 1 4 . 1 1 23 23 SER H H 23 8.069 8.069 8.043 0.026 18096 2341 1 4 . 1 1 24 24 LEU N N 24 120.855 120.855 121.718 -0.863 18096 2342 1 4 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.005 -0.024 18096 2343 1 4 . 1 1 24 24 LEU C C 24 177.542 177.542 178.253 -0.711 18096 2344 1 4 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.666 0.370 18096 2345 1 4 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.676 0.265 18096 2346 1 4 . 1 1 24 24 LEU H H 24 7.858 7.858 8.030 -0.172 18096 2347 1 4 . 1 1 25 25 ALA N N 25 119.507 119.507 121.841 -2.334 18096 2348 1 4 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.060 -0.120 18096 2349 1 4 . 1 1 25 25 ALA C C 25 177.915 177.915 179.806 -1.891 18096 2350 1 4 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.854 0.758 18096 2351 1 4 . 1 1 25 25 ALA CB C 25 18.251 18.251 17.898 0.352 18096 2352 1 4 . 1 1 25 25 ALA H H 25 8.141 8.141 7.311 0.830 18096 2353 1 4 . 1 1 26 26 ILE N N 26 115.689 115.689 119.419 -3.730 18096 2354 1 4 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.759 0.039 18096 2355 1 4 . 1 1 26 26 ILE C C 26 177.729 177.729 178.051 -0.322 18096 2356 1 4 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.086 0.254 18096 2357 1 4 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.819 0.011 18096 2358 1 4 . 1 1 26 26 ILE H H 26 8.012 8.012 7.551 0.461 18096 2359 1 4 . 1 1 27 27 LEU N N 27 118.567 118.567 120.379 -1.812 18096 2360 1 4 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.022 -0.016 18096 2361 1 4 . 1 1 27 27 LEU C C 27 178.364 178.364 179.292 -0.928 18096 2362 1 4 . 1 1 27 27 LEU CA C 27 58.737 58.737 57.967 0.770 18096 2363 1 4 . 1 1 27 27 LEU CB C 27 41.837 41.837 40.743 1.094 18096 2364 1 4 . 1 1 27 27 LEU H H 27 8.045 8.045 8.193 -0.148 18096 2365 1 4 . 1 1 28 28 VAL N N 28 113.720 113.720 119.815 -6.095 18096 2366 1 4 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.677 -0.102 18096 2367 1 4 . 1 1 28 28 VAL C C 28 177.809 177.809 179.375 -1.566 18096 2368 1 4 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.894 -0.881 18096 2369 1 4 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.360 0.690 18096 2370 1 4 . 1 1 28 28 VAL H H 28 8.008 8.008 7.902 0.106 18096 2371 1 4 . 1 1 29 29 PHE N N 29 115.458 115.458 119.552 -4.094 18096 2372 1 4 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.280 -0.071 18096 2373 1 4 . 1 1 29 29 PHE C C 29 176.366 176.366 177.300 -0.934 18096 2374 1 4 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.886 -1.028 18096 2375 1 4 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.886 0.711 18096 2376 1 4 . 1 1 29 29 PHE H H 29 7.915 7.915 7.799 0.116 18096 2377 1 4 . 1 1 30 30 TYR N N 30 115.649 115.649 117.051 -1.402 18096 2378 1 4 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.464 -0.223 18096 2379 1 4 . 1 1 30 30 TYR C C 30 175.388 175.388 175.945 -0.557 18096 2380 1 4 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.901 -1.515 18096 2381 1 4 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.439 0.201 18096 2382 1 4 . 1 1 30 30 TYR H H 30 8.002 8.002 7.536 0.466 18096 2383 1 4 . 1 1 31 31 LEU N N 31 121.144 121.144 120.951 0.193 18096 2384 1 4 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.837 -0.389 18096 2385 1 4 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.408 1.741 18096 2386 1 4 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.886 -0.550 18096 2387 1 4 . 1 1 31 31 LEU H H 31 7.514 7.514 7.764 -0.250 18096 2388 1 4 . 1 1 32 32 PRO C C 32 176.530 176.530 176.552 -0.022 18096 2389 1 4 . 1 1 33 33 SER N N 33 115.448 115.448 118.125 -2.677 18096 2390 1 4 . 1 1 33 33 SER HA H 33 4.317 4.317 4.254 0.063 18096 2391 1 4 . 1 1 33 33 SER C C 33 174.174 174.174 174.176 -0.002 18096 2392 1 4 . 1 1 33 33 SER CA C 33 59.954 59.954 60.055 -0.101 18096 2393 1 4 . 1 1 33 33 SER H H 33 8.370 8.370 8.408 -0.038 18096 2394 1 4 . 1 1 34 34 ASP N N 34 119.694 119.694 118.515 1.179 18096 2395 1 4 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.755 -0.170 18096 2396 1 4 . 1 1 34 34 ASP C C 34 175.971 175.971 175.143 0.828 18096 2397 1 4 . 1 1 34 34 ASP CA C 34 54.442 54.442 53.545 0.896 18096 2398 1 4 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.906 -0.666 18096 2399 1 4 . 1 1 34 34 ASP H H 34 8.209 8.209 7.720 0.489 18096 2400 1 4 . 1 1 35 35 CYS N N 35 114.872 114.872 118.463 -3.591 18096 2401 1 4 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.477 -0.274 18096 2402 1 4 . 1 1 35 35 CYS C C 35 175.147 175.147 176.428 -1.281 18096 2403 1 4 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.872 1.249 18096 2404 1 4 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.460 -0.574 18096 2405 1 4 . 1 1 35 35 CYS H H 35 7.750 7.750 8.593 -0.843 18096 2406 1 4 . 1 1 36 36 GLY N N 36 110.059 110.059 109.260 0.799 18096 2407 1 4 . 1 1 36 36 GLY C C 36 174.391 174.391 174.912 -0.521 18096 2408 1 4 . 1 1 36 36 GLY CA C 36 46.287 46.287 46.023 0.264 18096 2409 1 4 . 1 1 36 36 GLY H H 36 8.357 8.357 8.250 0.107 18096 2410 1 4 . 1 1 37 37 GLU N N 37 121.785 121.785 121.134 0.651 18096 2411 1 4 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.003 0.063 18096 2412 1 4 . 1 1 37 37 GLU C C 37 176.536 176.536 178.567 -2.031 18096 2413 1 4 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.916 -1.390 18096 2414 1 4 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.481 0.249 18096 2415 1 4 . 1 1 37 37 GLU H H 37 8.359 8.359 8.723 -0.364 18096 2416 1 4 . 1 1 38 38 LYS N N 38 123.927 123.927 118.626 5.301 18096 2417 1 4 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.982 0.141 18096 2418 1 4 . 1 1 38 38 LYS C C 38 177.544 177.544 179.088 -1.544 18096 2419 1 4 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.981 -0.412 18096 2420 1 4 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.909 -0.232 18096 2421 1 4 . 1 1 38 38 LYS H H 38 8.226 8.226 7.617 0.609 18096 2422 1 4 . 1 1 39 39 MET N N 39 117.932 117.932 119.119 -1.187 18096 2423 1 4 . 1 1 39 39 MET HA H 39 4.135 4.135 4.232 -0.097 18096 2424 1 4 . 1 1 39 39 MET C C 39 178.602 178.602 178.555 0.047 18096 2425 1 4 . 1 1 39 39 MET CA C 39 58.851 58.851 58.006 0.845 18096 2426 1 4 . 1 1 39 39 MET CB C 39 32.220 32.220 31.833 0.387 18096 2427 1 4 . 1 1 39 39 MET H H 39 8.262 8.262 7.669 0.593 18096 2428 1 4 . 1 1 40 40 THR N N 40 117.201 117.201 116.417 0.784 18096 2429 1 4 . 1 1 40 40 THR HA H 40 3.673 3.673 3.988 -0.315 18096 2430 1 4 . 1 1 40 40 THR C C 40 175.927 175.927 176.706 -0.779 18096 2431 1 4 . 1 1 40 40 THR CA C 40 67.352 67.352 66.566 0.786 18096 2432 1 4 . 1 1 40 40 THR H H 40 8.341 8.341 7.483 0.858 18096 2433 1 4 . 1 1 41 41 LEU N N 41 120.040 120.040 122.743 -2.703 18096 2434 1 4 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.201 -0.149 18096 2435 1 4 . 1 1 41 41 LEU C C 41 177.809 177.809 177.956 -0.147 18096 2436 1 4 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.587 0.799 18096 2437 1 4 . 1 1 41 41 LEU H H 41 8.181 8.181 7.655 0.526 18096 2438 1 4 . 1 1 42 42 CYS N N 42 117.556 117.556 119.204 -1.648 18096 2439 1 4 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.129 -0.177 18096 2440 1 4 . 1 1 42 42 CYS C C 42 176.460 176.460 177.117 -0.657 18096 2441 1 4 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.408 1.088 18096 2442 1 4 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.221 0.612 18096 2443 1 4 . 1 1 42 42 CYS H H 42 7.949 7.949 7.871 0.078 18096 2444 1 4 . 1 1 43 43 ILE N N 43 117.336 117.336 119.777 -2.441 18096 2445 1 4 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.704 -0.075 18096 2446 1 4 . 1 1 43 43 ILE C C 43 177.256 177.256 177.442 -0.186 18096 2447 1 4 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.326 -0.251 18096 2448 1 4 . 1 1 43 43 ILE CB C 43 37.944 37.944 38.020 -0.076 18096 2449 1 4 . 1 1 43 43 ILE H H 43 8.347 8.347 7.583 0.764 18096 2450 1 4 . 1 1 44 44 SER N N 44 116.243 116.243 116.014 0.229 18096 2451 1 4 . 1 1 44 44 SER HA H 44 4.083 4.083 4.213 -0.130 18096 2452 1 4 . 1 1 44 44 SER C C 44 176.305 176.305 176.762 -0.457 18096 2453 1 4 . 1 1 44 44 SER CA C 44 63.348 63.348 61.989 1.359 18096 2454 1 4 . 1 1 44 44 SER CB C 44 62.954 62.954 63.402 -0.448 18096 2455 1 4 . 1 1 44 44 SER H H 44 8.064 8.064 7.516 0.548 18096 2456 1 4 . 1 1 45 45 VAL N N 45 120.333 120.333 121.959 -1.626 18096 2457 1 4 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.838 -0.322 18096 2458 1 4 . 1 1 45 45 VAL C C 45 177.247 177.247 177.236 0.011 18096 2459 1 4 . 1 1 45 45 VAL CA C 45 66.938 66.938 64.965 1.973 18096 2460 1 4 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.324 0.436 18096 2461 1 4 . 1 1 45 45 VAL H H 45 8.036 8.036 8.388 -0.352 18096 2462 1 4 . 1 1 46 46 LEU N N 46 119.430 119.430 120.371 -0.941 18096 2463 1 4 . 1 1 46 46 LEU HA H 46 3.948 3.948 3.999 -0.051 18096 2464 1 4 . 1 1 46 46 LEU C C 46 180.032 180.032 178.847 1.185 18096 2465 1 4 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.023 0.503 18096 2466 1 4 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.829 0.156 18096 2467 1 4 . 1 1 46 46 LEU H H 46 7.959 7.959 7.339 0.620 18096 2468 1 4 . 1 1 47 47 LEU N N 47 121.110 121.110 119.127 1.983 18096 2469 1 4 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.077 -0.079 18096 2470 1 4 . 1 1 47 47 LEU C C 47 177.985 177.985 179.006 -1.021 18096 2471 1 4 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.479 0.960 18096 2472 1 4 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.110 0.936 18096 2473 1 4 . 1 1 47 47 LEU H H 47 8.695 8.695 7.588 1.107 18096 2474 1 4 . 1 1 48 48 ALA N N 48 121.251 121.251 122.371 -1.120 18096 2475 1 4 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.034 -0.189 18096 2476 1 4 . 1 1 48 48 ALA C C 48 178.834 178.834 179.764 -0.930 18096 2477 1 4 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.238 0.471 18096 2478 1 4 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.154 -0.021 18096 2479 1 4 . 1 1 48 48 ALA H H 48 8.272 8.272 7.557 0.715 18096 2480 1 4 . 1 1 49 49 LEU N N 49 116.290 116.290 118.227 -1.937 18096 2481 1 4 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.166 -0.169 18096 2482 1 4 . 1 1 49 49 LEU C C 49 178.068 178.068 179.330 -1.262 18096 2483 1 4 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.763 0.545 18096 2484 1 4 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.216 0.730 18096 2485 1 4 . 1 1 49 49 LEU H H 49 8.526 8.526 7.718 0.808 18096 2486 1 4 . 1 1 50 50 THR N N 50 115.495 115.495 114.388 1.107 18096 2487 1 4 . 1 1 50 50 THR HA H 50 3.692 3.692 4.047 -0.355 18096 2488 1 4 . 1 1 50 50 THR C C 50 176.061 176.061 176.902 -0.841 18096 2489 1 4 . 1 1 50 50 THR CA C 50 68.786 68.786 66.425 2.361 18096 2490 1 4 . 1 1 50 50 THR H H 50 7.996 7.996 7.724 0.272 18096 2491 1 4 . 1 1 51 51 VAL N N 51 119.977 119.977 121.970 -1.993 18096 2492 1 4 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.739 -0.243 18096 2493 1 4 . 1 1 51 51 VAL C C 51 177.063 177.063 177.826 -0.763 18096 2494 1 4 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.028 1.335 18096 2495 1 4 . 1 1 51 51 VAL CB C 51 31.618 31.618 30.924 0.694 18096 2496 1 4 . 1 1 51 51 VAL H H 51 8.145 8.145 7.621 0.524 18096 2497 1 4 . 1 1 52 52 PHE N N 52 118.836 118.836 120.880 -2.044 18096 2498 1 4 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.153 -0.051 18096 2499 1 4 . 1 1 52 52 PHE C C 52 176.721 176.721 177.425 -0.704 18096 2500 1 4 . 1 1 52 52 PHE CA C 52 61.639 61.639 60.674 0.965 18096 2501 1 4 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.673 0.656 18096 2502 1 4 . 1 1 52 52 PHE H H 52 8.354 8.354 7.667 0.687 18096 2503 1 4 . 1 1 53 53 LEU N N 53 117.271 117.271 120.019 -2.748 18096 2504 1 4 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.678 0.194 18096 2505 1 4 . 1 1 53 53 LEU C C 53 179.184 179.184 178.510 0.674 18096 2506 1 4 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.543 -0.686 18096 2507 1 4 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.850 0.145 18096 2508 1 4 . 1 1 53 53 LEU H H 53 8.438 8.438 7.564 0.874 18096 2509 1 4 . 1 1 54 54 LEU N N 54 119.310 119.310 118.891 0.419 18096 2510 1 4 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.989 0.018 18096 2511 1 4 . 1 1 54 54 LEU C C 54 179.224 179.224 179.278 -0.054 18096 2512 1 4 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.947 0.141 18096 2513 1 4 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.545 0.484 18096 2514 1 4 . 1 1 54 54 LEU H H 54 8.147 8.147 7.621 0.526 18096 2515 1 4 . 1 1 55 55 LEU N N 55 118.400 118.400 120.702 -2.302 18096 2516 1 4 . 1 1 55 55 LEU HA H 55 4.100 4.100 4.039 0.061 18096 2517 1 4 . 1 1 55 55 LEU C C 55 178.974 178.974 179.149 -0.175 18096 2518 1 4 . 1 1 55 55 LEU CA C 55 57.861 57.861 59.042 -1.181 18096 2519 1 4 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.113 -0.141 18096 2520 1 4 . 1 1 55 55 LEU H H 55 8.096 8.096 7.837 0.259 18096 2521 1 4 . 1 1 56 56 ILE N N 56 115.919 115.919 116.025 -0.106 18096 2522 1 4 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.094 -0.238 18096 2523 1 4 . 1 1 56 56 ILE C C 56 176.763 176.763 177.430 -0.667 18096 2524 1 4 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.255 0.256 18096 2525 1 4 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.902 -0.213 18096 2526 1 4 . 1 1 56 56 ILE H H 56 8.028 8.028 7.461 0.567 18096 2527 1 4 . 1 1 57 57 SER N N 57 114.862 114.862 114.946 -0.084 18096 2528 1 4 . 1 1 57 57 SER HA H 57 4.178 4.178 4.145 0.033 18096 2529 1 4 . 1 1 57 57 SER C C 57 175.258 175.258 175.726 -0.468 18096 2530 1 4 . 1 1 57 57 SER CA C 57 60.946 60.946 61.053 -0.107 18096 2531 1 4 . 1 1 57 57 SER CB C 57 63.558 63.558 63.248 0.310 18096 2532 1 4 . 1 1 57 57 SER H H 57 7.689 7.689 8.095 -0.406 18096 2533 1 4 . 1 1 58 58 LYS N N 58 118.080 118.080 120.747 -2.667 18096 2534 1 4 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.351 -0.064 18096 2535 1 4 . 1 1 58 58 LYS C C 58 176.668 176.668 176.549 0.119 18096 2536 1 4 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.354 -1.247 18096 2537 1 4 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.305 -2.241 18096 2538 1 4 . 1 1 58 58 LYS H H 58 7.595 7.595 7.525 0.070 18096 2539 1 4 . 1 1 59 59 ILE N N 59 116.926 116.926 120.511 -3.585 18096 2540 1 4 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.283 -0.249 18096 2541 1 4 . 1 1 59 59 ILE C C 59 175.226 175.226 175.119 0.107 18096 2542 1 4 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.489 3.895 18096 2543 1 4 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.287 -2.214 18096 2544 1 4 . 1 1 59 59 ILE H H 59 7.706 7.706 7.600 0.106 18096 2545 1 4 . 1 1 60 60 VAL N N 60 119.235 119.235 124.503 -5.268 18096 2546 1 4 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.045 0.281 18096 2547 1 4 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.977 -0.230 18096 2548 1 4 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.356 1.910 18096 2549 1 4 . 1 1 60 60 VAL H H 60 7.586 7.586 8.235 -0.649 18096 2550 1 4 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.774 -0.130 18096 2551 1 4 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.253 0.268 18096 2552 1 4 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.545 -0.409 18096 2553 1 4 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.306 0.185 18096 2554 1 4 . 1 1 62 62 PRO C C 62 176.912 176.912 177.664 -0.752 18096 2555 1 4 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.383 -1.140 18096 2556 1 4 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.032 -0.154 18096 2557 1 4 . 1 1 63 63 THR N N 63 111.607 111.607 114.768 -3.161 18096 2558 1 4 . 1 1 63 63 THR HA H 63 4.447 4.447 4.440 0.007 18096 2559 1 4 . 1 1 63 63 THR C C 63 174.725 174.725 174.408 0.317 18096 2560 1 4 . 1 1 63 63 THR CA C 63 61.245 61.245 61.518 -0.273 18096 2561 1 4 . 1 1 63 63 THR CB C 63 69.807 69.807 67.204 2.603 18096 2562 1 4 . 1 1 63 63 THR H H 63 7.915 7.915 7.918 -0.003 18096 2563 1 4 . 1 1 64 64 SER N N 64 116.516 116.516 118.517 -2.001 18096 2564 1 4 . 1 1 64 64 SER HA H 64 4.411 4.411 4.250 0.161 18096 2565 1 4 . 1 1 64 64 SER C C 64 174.580 174.580 174.587 -0.007 18096 2566 1 4 . 1 1 64 64 SER CA C 64 58.608 58.608 60.872 -2.264 18096 2567 1 4 . 1 1 64 64 SER CB C 64 63.742 63.742 63.624 0.117 18096 2568 1 4 . 1 1 64 64 SER H H 64 8.127 8.127 8.055 0.072 18096 2569 1 4 . 1 1 65 65 SER N N 65 116.921 116.921 114.276 2.645 18096 2570 1 4 . 1 1 65 65 SER HA H 65 4.453 4.453 4.260 0.193 18096 2571 1 4 . 1 1 65 65 SER C C 65 174.100 174.100 173.813 0.287 18096 2572 1 4 . 1 1 65 65 SER CA C 65 58.584 58.584 58.814 -0.230 18096 2573 1 4 . 1 1 65 65 SER CB C 65 63.668 63.668 63.059 0.609 18096 2574 1 4 . 1 1 65 65 SER H H 65 8.169 8.169 8.281 -0.112 18096 2575 1 4 . 1 1 66 66 ASP N N 66 120.478 120.478 121.175 -0.697 18096 2576 1 4 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.608 0.016 18096 2577 1 4 . 1 1 66 66 ASP C C 66 175.730 175.730 176.518 -0.788 18096 2578 1 4 . 1 1 66 66 ASP CA C 66 54.245 54.245 55.811 -1.566 18096 2579 1 4 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.264 -0.069 18096 2580 1 4 . 1 1 66 66 ASP H H 66 8.154 8.154 8.509 -0.355 18096 2581 1 4 . 1 1 67 67 SER N N 67 115.159 115.159 115.016 0.143 18096 2582 1 4 . 1 1 67 67 SER HA H 67 4.528 4.528 4.797 -0.269 18096 2583 1 4 . 1 1 67 67 SER CA C 67 56.493 56.493 56.030 0.463 18096 2584 1 4 . 1 1 67 67 SER CB C 67 63.604 63.604 64.508 -0.904 18096 2585 1 4 . 1 1 67 67 SER H H 67 7.930 7.930 7.857 0.073 18096 2586 1 4 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.567 -0.172 18096 2587 1 4 . 1 1 68 68 PRO C C 68 176.652 176.652 176.567 0.085 18096 2588 1 4 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.840 0.752 18096 2589 1 4 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.337 -0.985 18096 2590 1 4 . 1 1 69 69 SER N N 69 115.859 115.859 120.578 -4.719 18096 2591 1 4 . 1 1 69 69 SER HA H 69 4.436 4.436 4.461 -0.025 18096 2592 1 4 . 1 1 69 69 SER C C 69 174.611 174.611 176.066 -1.455 18096 2593 1 4 . 1 1 69 69 SER CA C 69 58.264 58.264 59.971 -1.707 18096 2594 1 4 . 1 1 69 69 SER CB C 69 63.919 63.919 63.090 0.829 18096 2595 1 4 . 1 1 69 69 SER H H 69 8.256 8.256 8.839 -0.583 18096 2596 1 4 . 1 1 70 70 VAL N N 70 117.241 117.241 118.600 -1.359 18096 2597 1 4 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.095 -0.293 18096 2598 1 4 . 1 1 70 70 VAL C C 70 177.772 177.772 177.614 0.158 18096 2599 1 4 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.175 1.469 18096 2600 1 4 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.228 0.668 18096 2601 1 4 . 1 1 70 70 VAL H H 70 8.211 8.211 8.178 0.033 18096 2602 1 4 . 1 1 71 71 GLY N N 71 106.999 106.999 106.859 0.140 18096 2603 1 4 . 1 1 71 71 GLY C C 71 175.551 175.551 175.967 -0.416 18096 2604 1 4 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.419 0.826 18096 2605 1 4 . 1 1 71 71 GLY H H 71 8.566 8.566 8.415 0.151 18096 2606 1 4 . 1 1 72 72 GLU N N 72 121.376 121.376 122.986 -1.610 18096 2607 1 4 . 1 1 72 72 GLU HA H 72 3.889 3.889 4.013 -0.124 18096 2608 1 4 . 1 1 72 72 GLU C C 72 178.495 178.495 178.490 0.005 18096 2609 1 4 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.377 0.741 18096 2610 1 4 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.458 0.132 18096 2611 1 4 . 1 1 72 72 GLU H H 72 7.919 7.919 7.766 0.153 18096 2612 1 4 . 1 1 73 73 TYR N N 73 117.643 117.643 119.980 -2.337 18096 2613 1 4 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.385 -0.323 18096 2614 1 4 . 1 1 73 73 TYR C C 73 179.921 179.921 178.152 1.769 18096 2615 1 4 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.176 0.954 18096 2616 1 4 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.495 0.422 18096 2617 1 4 . 1 1 73 73 TYR H H 73 8.095 8.095 8.102 -0.007 18096 2618 1 4 . 1 1 74 74 LEU N N 74 121.712 121.712 120.026 1.686 18096 2619 1 4 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.053 0.010 18096 2620 1 4 . 1 1 74 74 LEU C C 74 178.385 178.385 178.669 -0.284 18096 2621 1 4 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.483 0.991 18096 2622 1 4 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.687 0.251 18096 2623 1 4 . 1 1 74 74 LEU H H 74 8.615 8.615 7.812 0.803 18096 2624 1 4 . 1 1 75 75 MET N N 75 119.087 119.087 119.698 -0.611 18096 2625 1 4 . 1 1 75 75 MET HA H 75 4.056 4.056 3.991 0.065 18096 2626 1 4 . 1 1 75 75 MET C C 75 177.851 177.851 178.024 -0.173 18096 2627 1 4 . 1 1 75 75 MET CA C 75 59.166 59.166 58.980 0.186 18096 2628 1 4 . 1 1 75 75 MET CB C 75 32.093 32.093 32.091 0.002 18096 2629 1 4 . 1 1 75 75 MET H H 75 8.362 8.362 7.814 0.548 18096 2630 1 4 . 1 1 76 76 PHE N N 76 117.788 117.788 116.423 1.365 18096 2631 1 4 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.324 -0.219 18096 2632 1 4 . 1 1 76 76 PHE C C 76 177.305 177.305 178.171 -0.866 18096 2633 1 4 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.661 0.715 18096 2634 1 4 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.208 0.753 18096 2635 1 4 . 1 1 76 76 PHE H H 76 8.471 8.471 7.642 0.829 18096 2636 1 4 . 1 1 77 77 THR N N 77 115.298 115.298 116.970 -1.672 18096 2637 1 4 . 1 1 77 77 THR HA H 77 3.673 3.673 3.977 -0.304 18096 2638 1 4 . 1 1 77 77 THR C C 77 176.057 176.057 176.665 -0.608 18096 2639 1 4 . 1 1 77 77 THR CA C 77 68.423 68.423 66.775 1.648 18096 2640 1 4 . 1 1 77 77 THR CB C 77 68.204 68.204 68.780 -0.576 18096 2641 1 4 . 1 1 77 77 THR H H 77 8.179 8.179 7.852 0.327 18096 2642 1 4 . 1 1 78 78 MET N N 78 119.204 119.204 121.086 -1.882 18096 2643 1 4 . 1 1 78 78 MET HA H 78 4.092 4.092 4.291 -0.199 18096 2644 1 4 . 1 1 78 78 MET C C 78 179.421 179.421 178.130 1.291 18096 2645 1 4 . 1 1 78 78 MET CA C 78 58.810 58.810 58.497 0.313 18096 2646 1 4 . 1 1 78 78 MET CB C 78 32.176 32.176 31.991 0.185 18096 2647 1 4 . 1 1 78 78 MET H H 78 8.310 8.310 7.912 0.398 18096 2648 1 4 . 1 1 79 79 VAL N N 79 122.115 122.115 119.797 2.318 18096 2649 1 4 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.689 -0.197 18096 2650 1 4 . 1 1 79 79 VAL C C 79 176.866 176.866 177.967 -1.101 18096 2651 1 4 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.970 1.404 18096 2652 1 4 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.732 -0.117 18096 2653 1 4 . 1 1 79 79 VAL H H 79 8.239 8.239 7.620 0.619 18096 2654 1 4 . 1 1 80 80 LEU N N 80 120.240 120.240 119.972 0.268 18096 2655 1 4 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.149 -0.210 18096 2656 1 4 . 1 1 80 80 LEU C C 80 180.078 180.078 179.139 0.939 18096 2657 1 4 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.077 0.520 18096 2658 1 4 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.114 -0.173 18096 2659 1 4 . 1 1 80 80 LEU H H 80 8.058 8.058 7.470 0.588 18096 2660 1 4 . 1 1 81 81 VAL N N 81 120.008 120.008 118.821 1.187 18096 2661 1 4 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.709 -0.251 18096 2662 1 4 . 1 1 81 81 VAL C C 81 177.670 177.670 178.182 -0.512 18096 2663 1 4 . 1 1 81 81 VAL CA C 81 67.337 67.337 66.396 0.941 18096 2664 1 4 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.190 0.425 18096 2665 1 4 . 1 1 81 81 VAL H H 81 8.800 8.800 7.867 0.933 18096 2666 1 4 . 1 1 82 82 THR N N 82 116.872 116.872 117.007 -0.135 18096 2667 1 4 . 1 1 82 82 THR HA H 82 3.676 3.676 3.915 -0.239 18096 2668 1 4 . 1 1 82 82 THR C C 82 176.268 176.268 176.185 0.083 18096 2669 1 4 . 1 1 82 82 THR CA C 82 68.590 68.590 67.382 1.208 18096 2670 1 4 . 1 1 82 82 THR CB C 82 68.468 68.468 68.795 -0.327 18096 2671 1 4 . 1 1 82 82 THR H H 82 8.109 8.109 8.199 -0.090 18096 2672 1 4 . 1 1 83 83 PHE N N 83 119.777 119.777 120.620 -0.843 18096 2673 1 4 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.245 -0.164 18096 2674 1 4 . 1 1 83 83 PHE C C 83 178.015 178.015 177.256 0.759 18096 2675 1 4 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.069 0.543 18096 2676 1 4 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.772 -0.086 18096 2677 1 4 . 1 1 83 83 PHE H H 83 8.754 8.754 7.569 1.185 18096 2678 1 4 . 1 1 84 84 SER N N 84 117.769 117.769 116.686 1.083 18096 2679 1 4 . 1 1 84 84 SER HA H 84 4.091 4.091 4.427 -0.336 18096 2680 1 4 . 1 1 84 84 SER C C 84 175.899 175.899 176.910 -1.011 18096 2681 1 4 . 1 1 84 84 SER CA C 84 63.269 63.269 61.623 1.646 18096 2682 1 4 . 1 1 84 84 SER CB C 84 62.962 62.962 63.525 -0.562 18096 2683 1 4 . 1 1 84 84 SER H H 84 8.335 8.335 7.890 0.445 18096 2684 1 4 . 1 1 85 85 ILE N N 85 122.986 122.986 121.977 1.009 18096 2685 1 4 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.855 -0.206 18096 2686 1 4 . 1 1 85 85 ILE C C 85 177.778 177.778 178.011 -0.233 18096 2687 1 4 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.554 1.950 18096 2688 1 4 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.883 1.232 18096 2689 1 4 . 1 1 85 85 ILE H H 85 8.187 8.187 7.626 0.561 18096 2690 1 4 . 1 1 86 86 VAL N N 86 117.289 117.289 119.750 -2.461 18096 2691 1 4 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.552 -0.043 18096 2692 1 4 . 1 1 86 86 VAL C C 86 177.816 177.816 178.312 -0.496 18096 2693 1 4 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.161 -0.114 18096 2694 1 4 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.582 0.015 18096 2695 1 4 . 1 1 86 86 VAL H H 86 8.367 8.367 7.649 0.718 18096 2696 1 4 . 1 1 87 87 THR N N 87 116.788 116.788 112.274 4.514 18096 2697 1 4 . 1 1 87 87 THR HA H 87 3.758 3.758 4.010 -0.252 18096 2698 1 4 . 1 1 87 87 THR C C 87 176.095 176.095 176.693 -0.598 18096 2699 1 4 . 1 1 87 87 THR CA C 87 67.248 67.248 66.029 1.219 18096 2700 1 4 . 1 1 87 87 THR H H 87 8.007 8.007 7.848 0.159 18096 2701 1 4 . 1 1 88 88 SER N N 88 116.157 116.157 118.686 -2.529 18096 2702 1 4 . 1 1 88 88 SER HA H 88 4.018 4.018 4.097 -0.079 18096 2703 1 4 . 1 1 88 88 SER C C 88 174.932 174.932 176.820 -1.888 18096 2704 1 4 . 1 1 88 88 SER CA C 88 62.717 62.717 62.314 0.403 18096 2705 1 4 . 1 1 88 88 SER CB C 88 62.954 62.954 63.129 -0.175 18096 2706 1 4 . 1 1 88 88 SER H H 88 7.662 7.662 8.012 -0.350 18096 2707 1 4 . 1 1 89 89 VAL N N 89 117.956 117.956 121.864 -3.908 18096 2708 1 4 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.679 -0.163 18096 2709 1 4 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.811 1.455 18096 2710 1 4 . 1 1 89 89 VAL H H 89 8.274 8.274 7.841 0.433 18096 2711 1 4 . 1 1 90 90 CYS N N 90 116.319 116.319 118.307 -1.988 18096 2712 1 4 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.106 0.123 18096 2713 1 4 . 1 1 90 90 CYS C C 90 175.174 175.174 176.253 -1.079 18096 2714 1 4 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.930 -0.312 18096 2715 1 4 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.980 -0.189 18096 2716 1 4 . 1 1 90 90 CYS H H 90 7.654 7.654 7.477 0.177 18096 2717 1 4 . 1 1 91 91 VAL N N 91 115.534 115.534 117.387 -1.853 18096 2718 1 4 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.871 -0.245 18096 2719 1 4 . 1 1 91 91 VAL C C 91 176.038 176.038 177.795 -1.757 18096 2720 1 4 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.402 -1.794 18096 2721 1 4 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.791 0.131 18096 2722 1 4 . 1 1 91 91 VAL H H 91 7.760 7.760 7.501 0.259 18096 2723 1 4 . 1 1 92 92 LEU N N 92 119.713 119.713 120.025 -0.312 18096 2724 1 4 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.007 0.233 18096 2725 1 4 . 1 1 92 92 LEU C C 92 176.769 176.769 176.767 0.002 18096 2726 1 4 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.687 -2.097 18096 2727 1 4 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.760 -0.828 18096 2728 1 4 . 1 1 92 92 LEU H H 92 7.732 7.732 7.414 0.318 18096 2729 1 4 . 1 1 93 93 ASN N N 93 117.817 117.817 112.578 5.239 18096 2730 1 4 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.831 -0.155 18096 2731 1 4 . 1 1 93 93 ASN C C 93 174.955 174.955 173.714 1.241 18096 2732 1 4 . 1 1 93 93 ASN CA C 93 53.255 53.255 53.068 0.187 18096 2733 1 4 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.144 -0.636 18096 2734 1 4 . 1 1 93 93 ASN H H 93 7.916 7.916 7.721 0.195 18096 2735 1 4 . 1 1 94 94 VAL N N 94 118.650 118.650 122.152 -3.502 18096 2736 1 4 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.402 -0.378 18096 2737 1 4 . 1 1 94 94 VAL C C 94 175.740 175.740 174.781 0.959 18096 2738 1 4 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.608 0.924 18096 2739 1 4 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.247 -0.615 18096 2740 1 4 . 1 1 94 94 VAL H H 94 7.730 7.730 8.237 -0.507 18096 2741 1 4 . 1 1 95 95 HIS N N 95 121.293 121.293 126.031 -4.738 18096 2742 1 4 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.747 -0.128 18096 2743 1 4 . 1 1 95 95 HIS C C 95 174.146 174.146 173.536 0.610 18096 2744 1 4 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.972 -0.390 18096 2745 1 4 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.414 -1.659 18096 2746 1 4 . 1 1 95 95 HIS H H 95 8.341 8.341 8.521 -0.180 18096 2747 1 4 . 1 1 96 96 HIS N N 96 122.728 122.728 122.163 0.565 18096 2748 1 4 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.808 -0.173 18096 2749 1 4 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.959 -0.377 18096 2750 1 4 . 1 1 96 96 HIS CB C 96 29.773 29.773 31.369 -1.596 18096 2751 1 4 . 1 1 96 96 HIS H H 96 8.333 8.333 8.013 0.320 18096 2752 1 4 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.519 -0.224 18096 2753 1 4 . 1 1 97 97 ARG C C 97 175.776 175.776 175.570 0.206 18096 2754 1 4 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.272 -0.042 18096 2755 1 4 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.041 0.989 18096 2756 1 4 . 1 1 98 98 SER N N 98 118.439 118.439 120.619 -2.180 18096 2757 1 4 . 1 1 98 98 SER HA H 98 4.736 4.736 4.850 -0.114 18096 2758 1 4 . 1 1 98 98 SER CA C 98 56.614 56.614 56.872 -0.258 18096 2759 1 4 . 1 1 98 98 SER CB C 98 63.622 63.622 64.596 -0.974 18096 2760 1 4 . 1 1 98 98 SER H H 98 8.250 8.250 8.229 0.021 18096 2761 1 4 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.399 -0.005 18096 2762 1 4 . 1 1 99 99 PRO C C 99 176.879 176.879 176.534 0.345 18096 2763 1 4 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.390 -0.693 18096 2764 1 4 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.142 -0.096 18096 2765 1 4 . 1 1 100 100 GLU N N 100 120.297 120.297 120.289 0.008 18096 2766 1 4 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.481 -0.182 18096 2767 1 4 . 1 1 100 100 GLU C C 100 176.576 176.576 175.420 1.156 18096 2768 1 4 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.845 0.622 18096 2769 1 4 . 1 1 100 100 GLU CB C 100 29.944 29.944 30.688 -0.744 18096 2770 1 4 . 1 1 100 100 GLU H H 100 8.391 8.391 8.248 0.143 18096 2771 1 4 . 1 1 101 101 THR N N 101 114.144 114.144 118.623 -4.479 18096 2772 1 4 . 1 1 101 101 THR HA H 101 4.280 4.280 4.498 -0.218 18096 2773 1 4 . 1 1 101 101 THR C C 101 174.515 174.515 173.814 0.701 18096 2774 1 4 . 1 1 101 101 THR CA C 101 61.975 61.975 60.456 1.518 18096 2775 1 4 . 1 1 101 101 THR CB C 101 69.817 69.817 70.312 -0.495 18096 2776 1 4 . 1 1 101 101 THR H H 101 7.946 7.946 8.265 -0.319 18096 2777 1 4 . 1 1 102 102 HIS N N 102 120.429 120.429 118.377 2.052 18096 2778 1 4 . 1 1 102 102 HIS HA H 102 4.750 4.750 5.001 -0.251 18096 2779 1 4 . 1 1 102 102 HIS C C 102 174.764 174.764 174.365 0.399 18096 2780 1 4 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.314 0.371 18096 2781 1 4 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.854 -1.609 18096 2782 1 4 . 1 1 102 102 HIS H H 102 8.459 8.459 7.862 0.597 18096 2783 1 4 . 1 1 103 103 THR N N 103 114.319 114.319 115.905 -1.586 18096 2784 1 4 . 1 1 103 103 THR HA H 103 4.345 4.345 4.530 -0.185 18096 2785 1 4 . 1 1 103 103 THR C C 103 175.087 175.087 173.495 1.592 18096 2786 1 4 . 1 1 103 103 THR CA C 103 61.976 61.976 62.374 -0.398 18096 2787 1 4 . 1 1 103 103 THR CB C 103 69.831 69.831 68.944 0.888 18096 2788 1 4 . 1 1 103 103 THR H H 103 8.068 8.068 8.769 -0.701 18096 2789 1 4 . 1 1 104 104 GLY N N 104 111.143 111.143 109.582 1.561 18096 2790 1 4 . 1 1 104 104 GLY C C 104 174.757 174.757 173.195 1.562 18096 2791 1 4 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.488 0.114 18096 2792 1 4 . 1 1 104 104 GLY H H 104 8.389 8.389 8.425 -0.036 18096 2793 1 4 . 1 1 105 105 GLY N N 105 108.642 108.642 109.202 -0.560 18096 2794 1 4 . 1 1 105 105 GLY C C 105 174.892 174.892 174.652 0.240 18096 2795 1 4 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.115 0.487 18096 2796 1 4 . 1 1 105 105 GLY H H 105 8.272 8.272 8.352 -0.080 18096 2797 1 4 . 1 1 106 106 GLY N N 106 108.820 108.820 108.756 0.064 18096 2798 1 4 . 1 1 106 106 GLY C C 106 174.886 174.886 173.481 1.405 18096 2799 1 4 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.612 0.990 18096 2800 1 4 . 1 1 106 106 GLY H H 106 8.359 8.359 8.368 -0.009 18096 2801 1 4 . 1 1 107 107 GLY N N 107 108.550 108.550 107.393 1.157 18096 2802 1 4 . 1 1 107 107 GLY C C 107 174.886 174.886 173.815 1.071 18096 2803 1 4 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.544 0.058 18096 2804 1 4 . 1 1 107 107 GLY H H 107 8.338 8.338 7.988 0.350 18096 2805 1 4 . 1 1 108 108 GLY N N 108 108.519 108.519 109.638 -1.119 18096 2806 1 4 . 1 1 108 108 GLY C C 108 175.411 175.411 175.539 -0.128 18096 2807 1 4 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.738 1.069 18096 2808 1 4 . 1 1 108 108 GLY H H 108 8.336 8.336 8.661 -0.325 18096 2809 1 4 . 1 1 109 109 ILE N N 109 120.914 120.914 121.399 -0.485 18096 2810 1 4 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.854 0.122 18096 2811 1 4 . 1 1 109 109 ILE C C 109 176.019 176.019 176.250 -0.231 18096 2812 1 4 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.007 -1.080 18096 2813 1 4 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.482 0.591 18096 2814 1 4 . 1 1 109 109 ILE H H 109 8.233 8.233 8.206 0.027 18096 2815 1 4 . 1 1 110 110 ASP N N 110 121.149 121.149 119.770 1.379 18096 2816 1 4 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.308 -0.056 18096 2817 1 4 . 1 1 110 110 ASP C C 110 177.648 177.648 178.490 -0.842 18096 2818 1 4 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.428 -0.627 18096 2819 1 4 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.483 0.698 18096 2820 1 4 . 1 1 110 110 ASP H H 110 8.369 8.369 8.438 -0.069 18096 2821 1 4 . 1 1 111 111 ARG N N 111 119.198 119.198 120.621 -1.423 18096 2822 1 4 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.151 -0.162 18096 2823 1 4 . 1 1 111 111 ARG C C 111 177.502 177.502 178.930 -1.428 18096 2824 1 4 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.507 0.213 18096 2825 1 4 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.647 0.456 18096 2826 1 4 . 1 1 111 111 ARG H H 111 7.835 7.835 8.368 -0.533 18096 2827 1 4 . 1 1 112 112 LEU N N 112 118.935 118.935 119.882 -0.947 18096 2828 1 4 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.177 -0.174 18096 2829 1 4 . 1 1 112 112 LEU C C 112 178.356 178.356 178.607 -0.251 18096 2830 1 4 . 1 1 112 112 LEU CA C 112 58.235 58.235 57.993 0.242 18096 2831 1 4 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.004 -0.261 18096 2832 1 4 . 1 1 112 112 LEU H H 112 7.783 7.783 8.520 -0.737 18096 2833 1 4 . 1 1 113 113 PHE N N 113 116.117 116.117 119.566 -3.449 18096 2834 1 4 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.225 -0.141 18096 2835 1 4 . 1 1 113 113 PHE C C 113 177.092 177.092 177.237 -0.145 18096 2836 1 4 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.220 2.172 18096 2837 1 4 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.975 -0.084 18096 2838 1 4 . 1 1 113 113 PHE H H 113 8.072 8.072 7.565 0.507 18096 2839 1 4 . 1 1 114 114 LEU N N 114 118.710 118.710 120.517 -1.807 18096 2840 1 4 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.077 -0.076 18096 2841 1 4 . 1 1 114 114 LEU C C 114 178.210 178.210 178.244 -0.034 18096 2842 1 4 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.875 -0.366 18096 2843 1 4 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.858 -0.074 18096 2844 1 4 . 1 1 114 114 LEU H H 114 7.881 7.881 8.140 -0.259 18096 2845 1 4 . 1 1 115 115 TRP N N 115 117.801 117.801 120.900 -3.099 18096 2846 1 4 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.298 -0.016 18096 2847 1 4 . 1 1 115 115 TRP C C 115 178.536 178.536 178.689 -0.153 18096 2848 1 4 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.510 0.234 18096 2849 1 4 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.496 -0.371 18096 2850 1 4 . 1 1 115 115 TRP H H 115 7.925 7.925 8.255 -0.330 18096 2851 1 4 . 1 1 116 116 ILE N N 116 118.212 118.212 116.337 1.875 18096 2852 1 4 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.977 -0.283 18096 2853 1 4 . 1 1 116 116 ILE C C 116 177.423 177.423 177.553 -0.130 18096 2854 1 4 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.729 1.258 18096 2855 1 4 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.084 1.067 18096 2856 1 4 . 1 1 116 116 ILE H H 116 8.355 8.355 7.757 0.598 18096 2857 1 4 . 1 1 117 117 PHE N N 117 119.509 119.509 120.980 -1.471 18096 2858 1 4 . 1 1 117 117 PHE HA H 117 4.094 4.094 3.974 0.120 18096 2859 1 4 . 1 1 117 117 PHE C C 117 177.389 177.389 177.505 -0.116 18096 2860 1 4 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.037 0.908 18096 2861 1 4 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.333 0.606 18096 2862 1 4 . 1 1 117 117 PHE H H 117 8.419 8.419 7.355 1.064 18096 2863 1 4 . 1 1 118 118 VAL N N 118 118.927 118.927 118.262 0.665 18096 2864 1 4 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.644 -0.134 18096 2865 1 4 . 1 1 118 118 VAL C C 118 177.452 177.452 177.864 -0.412 18096 2866 1 4 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.040 1.400 18096 2867 1 4 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.099 0.363 18096 2868 1 4 . 1 1 118 118 VAL H H 118 8.509 8.509 7.705 0.804 18096 2869 1 4 . 1 1 119 119 PHE N N 119 118.638 118.638 120.265 -1.627 18096 2870 1 4 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.169 -0.129 18096 2871 1 4 . 1 1 119 119 PHE C C 119 177.403 177.403 178.153 -0.750 18096 2872 1 4 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.455 0.149 18096 2873 1 4 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.371 0.774 18096 2874 1 4 . 1 1 119 119 PHE H H 119 8.477 8.477 7.603 0.874 18096 2875 1 4 . 1 1 120 120 VAL N N 120 118.660 118.660 118.886 -0.226 18096 2876 1 4 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.756 -0.289 18096 2877 1 4 . 1 1 120 120 VAL C C 120 177.851 177.851 177.378 0.473 18096 2878 1 4 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.582 1.854 18096 2879 1 4 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.712 -0.053 18096 2880 1 4 . 1 1 120 120 VAL H H 120 8.705 8.705 8.190 0.515 18096 2881 1 4 . 1 1 121 121 CYS N N 121 117.055 117.055 118.894 -1.839 18096 2882 1 4 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.127 -0.225 18096 2883 1 4 . 1 1 121 121 CYS C C 121 177.629 177.629 176.671 0.958 18096 2884 1 4 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.730 1.609 18096 2885 1 4 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.143 -0.354 18096 2886 1 4 . 1 1 121 121 CYS H H 121 7.981 7.981 7.789 0.192 18096 2887 1 4 . 1 1 122 122 VAL N N 122 120.422 120.422 120.416 0.006 18096 2888 1 4 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.656 -0.177 18096 2889 1 4 . 1 1 122 122 VAL C C 122 176.923 176.923 178.102 -1.179 18096 2890 1 4 . 1 1 122 122 VAL CA C 122 67.261 67.261 67.292 -0.031 18096 2891 1 4 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.393 0.733 18096 2892 1 4 . 1 1 122 122 VAL H H 122 8.487 8.487 8.579 -0.092 18096 2893 1 4 . 1 1 123 123 PHE N N 123 117.927 117.927 120.970 -3.043 18096 2894 1 4 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.203 -0.169 18096 2895 1 4 . 1 1 123 123 PHE C C 123 178.151 178.151 177.539 0.612 18096 2896 1 4 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.618 0.476 18096 2897 1 4 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.974 -0.337 18096 2898 1 4 . 1 1 123 123 PHE H H 123 8.630 8.630 8.099 0.531 18096 2899 1 4 . 1 1 124 124 GLY N N 124 106.539 106.539 106.435 0.104 18096 2900 1 4 . 1 1 124 124 GLY C C 124 174.290 174.290 175.792 -1.502 18096 2901 1 4 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.048 0.503 18096 2902 1 4 . 1 1 124 124 GLY H H 124 8.689 8.689 8.280 0.409 18096 2903 1 4 . 1 1 125 125 THR N N 125 117.059 117.059 119.157 -2.098 18096 2904 1 4 . 1 1 125 125 THR HA H 125 3.649 3.649 4.023 -0.374 18096 2905 1 4 . 1 1 125 125 THR C C 125 176.231 176.231 176.617 -0.386 18096 2906 1 4 . 1 1 125 125 THR CA C 125 67.989 67.989 67.677 0.312 18096 2907 1 4 . 1 1 125 125 THR H H 125 7.553 7.553 8.342 -0.789 18096 2908 1 4 . 1 1 126 126 ILE N N 126 119.538 119.538 119.137 0.401 18096 2909 1 4 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.992 -0.344 18096 2910 1 4 . 1 1 126 126 ILE C C 126 177.976 177.976 178.045 -0.069 18096 2911 1 4 . 1 1 126 126 ILE CA C 126 65.715 65.715 62.273 3.442 18096 2912 1 4 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.489 1.341 18096 2913 1 4 . 1 1 126 126 ILE H H 126 8.003 8.003 7.841 0.162 18096 2914 1 4 . 1 1 127 127 GLY N N 127 105.404 105.404 109.245 -3.841 18096 2915 1 4 . 1 1 127 127 GLY C C 127 174.597 174.597 175.431 -0.834 18096 2916 1 4 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.014 0.555 18096 2917 1 4 . 1 1 127 127 GLY H H 127 8.438 8.438 7.688 0.750 18096 2918 1 4 . 1 1 128 128 MET N N 128 117.893 117.893 117.205 0.688 18096 2919 1 4 . 1 1 128 128 MET HA H 128 4.153 4.153 4.410 -0.257 18096 2920 1 4 . 1 1 128 128 MET C C 128 177.815 177.815 178.065 -0.250 18096 2921 1 4 . 1 1 128 128 MET CA C 128 58.198 58.198 55.360 2.838 18096 2922 1 4 . 1 1 128 128 MET CB C 128 32.113 32.113 32.147 -0.034 18096 2923 1 4 . 1 1 128 128 MET H H 128 7.821 7.821 7.491 0.330 18096 2924 1 4 . 1 1 129 129 PHE N N 129 116.018 116.018 120.425 -4.407 18096 2925 1 4 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.260 -0.126 18096 2926 1 4 . 1 1 129 129 PHE C C 129 175.863 175.863 176.042 -0.179 18096 2927 1 4 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.706 -0.891 18096 2928 1 4 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.019 0.071 18096 2929 1 4 . 1 1 129 129 PHE H H 129 7.797 7.797 7.575 0.222 18096 2930 1 4 . 1 1 130 130 LEU N N 130 115.806 115.806 117.820 -2.014 18096 2931 1 4 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.259 0.079 18096 2932 1 4 . 1 1 130 130 LEU C C 130 177.219 177.219 177.329 -0.110 18096 2933 1 4 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.912 0.555 18096 2934 1 4 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.356 0.068 18096 2935 1 4 . 1 1 130 130 LEU H H 130 7.745 7.745 7.673 0.072 18096 2936 1 4 . 1 1 131 131 GLN N N 131 118.630 118.630 119.758 -1.128 18096 2937 1 4 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.131 -0.027 18096 2938 1 4 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.086 2.233 18096 2939 1 4 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.325 -0.504 18096 2940 1 4 . 1 1 131 131 GLN H H 131 7.808 7.808 7.353 0.455 18096 2941 1 4 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.421 -0.048 18096 2942 1 4 . 1 1 132 132 PRO C C 132 177.739 177.739 177.057 0.682 18096 2943 1 4 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.834 2.549 18096 2944 1 4 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.158 -0.632 18096 2945 1 4 . 1 1 133 133 LEU N N 133 115.632 115.632 116.766 -1.134 18096 2946 1 4 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.234 -0.170 18096 2947 1 4 . 1 1 133 133 LEU C C 133 176.918 176.918 176.253 0.665 18096 2948 1 4 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.870 -0.469 18096 2949 1 4 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.047 -0.058 18096 2950 1 4 . 1 1 133 133 LEU H H 133 7.689 7.689 8.238 -0.549 18096 2951 1 4 . 1 1 134 134 PHE N N 134 114.807 114.807 116.845 -2.038 18096 2952 1 4 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.726 -0.197 18096 2953 1 4 . 1 1 134 134 PHE C C 134 175.245 175.245 175.279 -0.034 18096 2954 1 4 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.760 -0.022 18096 2955 1 4 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.765 -0.156 18096 2956 1 4 . 1 1 134 134 PHE H H 134 7.679 7.679 7.498 0.181 18096 2957 1 4 . 1 1 135 135 GLN N N 135 118.318 118.318 120.486 -2.168 18096 2958 1 4 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.207 0.108 18096 2959 1 4 . 1 1 135 135 GLN C C 135 175.361 175.361 175.360 0.001 18096 2960 1 4 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.527 -1.420 18096 2961 1 4 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.221 0.645 18096 2962 1 4 . 1 1 135 135 GLN H H 135 7.651 7.651 8.797 -1.146 18096 2963 1 4 . 1 1 136 136 GLU N N 136 120.684 120.684 120.142 0.542 18096 2964 1 4 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.185 0.126 18096 2965 1 4 . 1 1 136 136 GLU C C 136 175.153 175.153 175.720 -0.567 18096 2966 1 4 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.835 -0.360 18096 2967 1 4 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.179 1.053 18096 2968 1 4 . 1 1 136 136 GLU H H 136 8.109 8.109 8.586 -0.477 18096 2969 1 5 . 1 1 3 3 ALA N N 3 124.656 124.656 124.413 0.243 18096 2970 1 5 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.330 -0.124 18096 2971 1 5 . 1 1 3 3 ALA C C 3 178.133 178.133 177.520 0.613 18096 2972 1 5 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.941 0.744 18096 2973 1 5 . 1 1 3 3 ALA CB C 3 19.083 19.083 18.612 0.471 18096 2974 1 5 . 1 1 3 3 ALA H H 3 8.402 8.402 8.481 -0.079 18096 2975 1 5 . 1 1 4 4 GLU N N 4 117.439 117.439 123.501 -6.062 18096 2976 1 5 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.523 -0.394 18096 2977 1 5 . 1 1 4 4 GLU C C 4 176.534 176.534 176.626 -0.092 18096 2978 1 5 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.228 1.196 18096 2979 1 5 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.503 -0.619 18096 2980 1 5 . 1 1 4 4 GLU H H 4 8.219 8.219 8.588 -0.369 18096 2981 1 5 . 1 1 5 5 GLU N N 5 118.815 118.815 118.626 0.189 18096 2982 1 5 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.136 0.075 18096 2983 1 5 . 1 1 5 5 GLU C C 5 176.604 176.604 177.633 -1.029 18096 2984 1 5 . 1 1 5 5 GLU CA C 5 56.951 56.951 58.344 -1.393 18096 2985 1 5 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.635 0.327 18096 2986 1 5 . 1 1 5 5 GLU H H 5 7.992 7.992 8.553 -0.561 18096 2987 1 5 . 1 1 6 6 GLU N N 6 121.446 121.446 121.699 -0.253 18096 2988 1 5 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.214 -0.030 18096 2989 1 5 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.451 -3.030 18096 2990 1 5 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.154 0.829 18096 2991 1 5 . 1 1 6 6 GLU H H 6 8.148 8.148 8.617 -0.469 18096 2992 1 5 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.396 -0.133 18096 2993 1 5 . 1 1 7 7 PRO C C 7 178.717 178.717 177.967 0.750 18096 2994 1 5 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.916 0.613 18096 2995 1 5 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.371 -0.048 18096 2996 1 5 . 1 1 8 8 LEU N N 8 119.642 119.642 117.678 1.964 18096 2997 1 5 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.325 -0.373 18096 2998 1 5 . 1 1 8 8 LEU C C 8 177.905 177.905 177.643 0.262 18096 2999 1 5 . 1 1 8 8 LEU CA C 8 57.931 57.931 55.365 2.566 18096 3000 1 5 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.211 0.562 18096 3001 1 5 . 1 1 8 8 LEU H H 8 8.222 8.222 7.625 0.597 18096 3002 1 5 . 1 1 9 9 PHE N N 9 118.625 118.625 119.862 -1.237 18096 3003 1 5 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.243 -0.071 18096 3004 1 5 . 1 1 9 9 PHE C C 9 177.620 177.620 177.088 0.532 18096 3005 1 5 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.825 -0.753 18096 3006 1 5 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.398 -0.560 18096 3007 1 5 . 1 1 9 9 PHE H H 9 8.071 8.071 7.611 0.460 18096 3008 1 5 . 1 1 10 10 TYR N N 10 117.829 117.829 119.362 -1.533 18096 3009 1 5 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.256 -0.066 18096 3010 1 5 . 1 1 10 10 TYR C C 10 177.743 177.743 177.261 0.482 18096 3011 1 5 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.291 -0.082 18096 3012 1 5 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.661 0.054 18096 3013 1 5 . 1 1 10 10 TYR H H 10 8.204 8.204 7.648 0.556 18096 3014 1 5 . 1 1 11 11 THR N N 11 115.545 115.545 114.627 0.918 18096 3015 1 5 . 1 1 11 11 THR HA H 11 3.875 3.875 3.336 0.539 18096 3016 1 5 . 1 1 11 11 THR C C 11 175.937 175.937 176.349 -0.412 18096 3017 1 5 . 1 1 11 11 THR CA C 11 67.187 67.187 65.332 1.855 18096 3018 1 5 . 1 1 11 11 THR CB C 11 68.579 68.579 68.242 0.337 18096 3019 1 5 . 1 1 11 11 THR H H 11 7.934 7.934 7.633 0.301 18096 3020 1 5 . 1 1 12 12 ILE N N 12 120.096 120.096 120.165 -0.069 18096 3021 1 5 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.661 0.021 18096 3022 1 5 . 1 1 12 12 ILE C C 12 175.863 175.863 177.461 -1.598 18096 3023 1 5 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.944 -0.122 18096 3024 1 5 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.469 0.486 18096 3025 1 5 . 1 1 12 12 ILE H H 12 8.172 8.172 7.404 0.768 18096 3026 1 5 . 1 1 13 13 ASN N N 13 114.444 114.444 117.262 -2.818 18096 3027 1 5 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.525 -0.132 18096 3028 1 5 . 1 1 13 13 ASN C C 13 174.880 174.880 176.071 -1.191 18096 3029 1 5 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.448 -0.191 18096 3030 1 5 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.561 0.985 18096 3031 1 5 . 1 1 13 13 ASN H H 13 7.731 7.731 7.467 0.264 18096 3032 1 5 . 1 1 14 14 LEU N N 14 115.306 115.306 119.791 -4.485 18096 3033 1 5 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.425 -0.079 18096 3034 1 5 . 1 1 14 14 LEU C C 14 177.427 177.427 177.889 -0.462 18096 3035 1 5 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.980 -0.610 18096 3036 1 5 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.455 -0.689 18096 3037 1 5 . 1 1 14 14 LEU H H 14 7.381 7.381 7.218 0.163 18096 3038 1 5 . 1 1 15 15 ILE N N 15 117.935 117.935 119.802 -1.867 18096 3039 1 5 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.718 -0.120 18096 3040 1 5 . 1 1 15 15 ILE CA C 15 65.452 65.452 65.256 0.196 18096 3041 1 5 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.029 -0.348 18096 3042 1 5 . 1 1 15 15 ILE H H 15 8.135 8.135 7.581 0.554 18096 3043 1 5 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.327 -0.281 18096 3044 1 5 . 1 1 17 17 PRO C C 17 177.518 177.518 179.071 -1.553 18096 3045 1 5 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.674 0.971 18096 3046 1 5 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.741 0.225 18096 3047 1 5 . 1 1 18 18 CYS N N 18 113.411 113.411 119.155 -5.744 18096 3048 1 5 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.313 -0.362 18096 3049 1 5 . 1 1 18 18 CYS C C 18 177.617 177.617 177.230 0.387 18096 3050 1 5 . 1 1 18 18 CYS CA C 18 64.488 64.488 62.965 1.523 18096 3051 1 5 . 1 1 18 18 CYS CB C 18 26.768 26.768 26.632 0.136 18096 3052 1 5 . 1 1 18 18 CYS H H 18 7.338 7.338 7.729 -0.391 18096 3053 1 5 . 1 1 19 19 VAL N N 19 121.720 121.720 120.435 1.285 18096 3054 1 5 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.724 -0.203 18096 3055 1 5 . 1 1 19 19 VAL C C 19 178.069 178.069 178.477 -0.408 18096 3056 1 5 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.657 0.408 18096 3057 1 5 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.202 0.550 18096 3058 1 5 . 1 1 19 19 VAL H H 19 8.587 8.587 7.991 0.596 18096 3059 1 5 . 1 1 20 20 LEU N N 20 121.731 121.731 120.369 1.362 18096 3060 1 5 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.858 0.163 18096 3061 1 5 . 1 1 20 20 LEU C C 20 177.989 177.989 179.177 -1.188 18096 3062 1 5 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.248 0.401 18096 3063 1 5 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.673 0.261 18096 3064 1 5 . 1 1 20 20 LEU H H 20 8.344 8.344 7.543 0.801 18096 3065 1 5 . 1 1 21 21 ILE N N 21 117.403 117.403 119.127 -1.724 18096 3066 1 5 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.693 -0.024 18096 3067 1 5 . 1 1 21 21 ILE C C 21 176.947 176.947 178.227 -1.280 18096 3068 1 5 . 1 1 21 21 ILE CA C 21 65.356 65.356 66.212 -0.856 18096 3069 1 5 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.733 0.185 18096 3070 1 5 . 1 1 21 21 ILE H H 21 8.371 8.371 8.515 -0.144 18096 3071 1 5 . 1 1 22 22 THR N N 22 115.544 115.544 115.349 0.195 18096 3072 1 5 . 1 1 22 22 THR HA H 22 3.681 3.681 4.041 -0.360 18096 3073 1 5 . 1 1 22 22 THR C C 22 176.073 176.073 176.408 -0.335 18096 3074 1 5 . 1 1 22 22 THR CA C 22 68.152 68.152 67.999 0.153 18096 3075 1 5 . 1 1 22 22 THR CB C 22 68.428 68.428 68.429 -0.001 18096 3076 1 5 . 1 1 22 22 THR H H 22 7.829 7.829 7.556 0.273 18096 3077 1 5 . 1 1 23 23 SER N N 23 116.192 116.192 118.044 -1.852 18096 3078 1 5 . 1 1 23 23 SER HA H 23 4.023 4.023 4.057 -0.034 18096 3079 1 5 . 1 1 23 23 SER C C 23 175.279 175.279 176.621 -1.342 18096 3080 1 5 . 1 1 23 23 SER CA C 23 63.884 63.884 62.031 1.853 18096 3081 1 5 . 1 1 23 23 SER CB C 23 62.971 62.971 63.142 -0.171 18096 3082 1 5 . 1 1 23 23 SER H H 23 8.069 8.069 8.204 -0.135 18096 3083 1 5 . 1 1 24 24 LEU N N 24 120.855 120.855 121.735 -0.880 18096 3084 1 5 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.067 -0.086 18096 3085 1 5 . 1 1 24 24 LEU C C 24 177.542 177.542 178.788 -1.246 18096 3086 1 5 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.832 0.204 18096 3087 1 5 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.688 0.253 18096 3088 1 5 . 1 1 24 24 LEU H H 24 7.858 7.858 8.626 -0.768 18096 3089 1 5 . 1 1 25 25 ALA N N 25 119.507 119.507 121.324 -1.817 18096 3090 1 5 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.191 -0.251 18096 3091 1 5 . 1 1 25 25 ALA C C 25 177.915 177.915 179.602 -1.687 18096 3092 1 5 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.842 0.770 18096 3093 1 5 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.464 -0.213 18096 3094 1 5 . 1 1 25 25 ALA H H 25 8.141 8.141 7.668 0.473 18096 3095 1 5 . 1 1 26 26 ILE N N 26 115.689 115.689 119.879 -4.190 18096 3096 1 5 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.633 0.165 18096 3097 1 5 . 1 1 26 26 ILE C C 26 177.729 177.729 177.998 -0.269 18096 3098 1 5 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.388 -0.049 18096 3099 1 5 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.003 -0.173 18096 3100 1 5 . 1 1 26 26 ILE H H 26 8.012 8.012 7.771 0.241 18096 3101 1 5 . 1 1 27 27 LEU N N 27 118.567 118.567 119.980 -1.413 18096 3102 1 5 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.978 0.028 18096 3103 1 5 . 1 1 27 27 LEU C C 27 178.364 178.364 179.376 -1.012 18096 3104 1 5 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.257 0.480 18096 3105 1 5 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.370 0.468 18096 3106 1 5 . 1 1 27 27 LEU H H 27 8.045 8.045 8.596 -0.551 18096 3107 1 5 . 1 1 28 28 VAL N N 28 113.720 113.720 119.185 -5.465 18096 3108 1 5 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.790 -0.215 18096 3109 1 5 . 1 1 28 28 VAL C C 28 177.809 177.809 178.383 -0.574 18096 3110 1 5 . 1 1 28 28 VAL CA C 28 66.013 66.013 67.197 -1.184 18096 3111 1 5 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.540 0.510 18096 3112 1 5 . 1 1 28 28 VAL H H 28 8.008 8.008 7.689 0.319 18096 3113 1 5 . 1 1 29 29 PHE N N 29 115.458 115.458 117.892 -2.434 18096 3114 1 5 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.413 -0.204 18096 3115 1 5 . 1 1 29 29 PHE C C 29 176.366 176.366 177.600 -1.234 18096 3116 1 5 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.252 -0.393 18096 3117 1 5 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.112 0.485 18096 3118 1 5 . 1 1 29 29 PHE H H 29 7.915 7.915 7.696 0.219 18096 3119 1 5 . 1 1 30 30 TYR N N 30 115.649 115.649 118.235 -2.586 18096 3120 1 5 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.482 -0.241 18096 3121 1 5 . 1 1 30 30 TYR C C 30 175.388 175.388 176.087 -0.699 18096 3122 1 5 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.220 -0.834 18096 3123 1 5 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.362 0.278 18096 3124 1 5 . 1 1 30 30 TYR H H 30 8.002 8.002 8.115 -0.113 18096 3125 1 5 . 1 1 31 31 LEU N N 31 121.144 121.144 121.298 -0.154 18096 3126 1 5 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.712 -0.264 18096 3127 1 5 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.453 1.696 18096 3128 1 5 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.974 -1.638 18096 3129 1 5 . 1 1 31 31 LEU H H 31 7.514 7.514 7.684 -0.170 18096 3130 1 5 . 1 1 32 32 PRO C C 32 176.530 176.530 176.492 0.038 18096 3131 1 5 . 1 1 33 33 SER N N 33 115.448 115.448 118.374 -2.926 18096 3132 1 5 . 1 1 33 33 SER HA H 33 4.317 4.317 4.601 -0.284 18096 3133 1 5 . 1 1 33 33 SER C C 33 174.174 174.174 174.262 -0.088 18096 3134 1 5 . 1 1 33 33 SER CA C 33 59.954 59.954 57.434 2.520 18096 3135 1 5 . 1 1 33 33 SER H H 33 8.370 8.370 7.856 0.514 18096 3136 1 5 . 1 1 34 34 ASP N N 34 119.694 119.694 121.146 -1.452 18096 3137 1 5 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.847 -0.262 18096 3138 1 5 . 1 1 34 34 ASP C C 34 175.971 175.971 176.026 -0.055 18096 3139 1 5 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.796 -0.354 18096 3140 1 5 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.986 0.254 18096 3141 1 5 . 1 1 34 34 ASP H H 34 8.209 8.209 8.781 -0.572 18096 3142 1 5 . 1 1 35 35 CYS N N 35 114.872 114.872 117.777 -2.905 18096 3143 1 5 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.771 -0.568 18096 3144 1 5 . 1 1 35 35 CYS C C 35 175.147 175.147 175.999 -0.852 18096 3145 1 5 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.505 2.616 18096 3146 1 5 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.262 -0.376 18096 3147 1 5 . 1 1 35 35 CYS H H 35 7.750 7.750 8.039 -0.289 18096 3148 1 5 . 1 1 36 36 GLY N N 36 110.059 110.059 109.938 0.121 18096 3149 1 5 . 1 1 36 36 GLY C C 36 174.391 174.391 175.217 -0.826 18096 3150 1 5 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.736 1.551 18096 3151 1 5 . 1 1 36 36 GLY H H 36 8.357 8.357 8.060 0.297 18096 3152 1 5 . 1 1 37 37 GLU N N 37 121.785 121.785 120.303 1.482 18096 3153 1 5 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.005 0.061 18096 3154 1 5 . 1 1 37 37 GLU C C 37 176.536 176.536 177.689 -1.153 18096 3155 1 5 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.079 -0.553 18096 3156 1 5 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.671 0.059 18096 3157 1 5 . 1 1 37 37 GLU H H 37 8.359 8.359 8.716 -0.357 18096 3158 1 5 . 1 1 38 38 LYS N N 38 123.927 123.927 119.025 4.902 18096 3159 1 5 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.022 0.101 18096 3160 1 5 . 1 1 38 38 LYS C C 38 177.544 177.544 178.783 -1.239 18096 3161 1 5 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.611 -1.042 18096 3162 1 5 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.637 0.040 18096 3163 1 5 . 1 1 38 38 LYS H H 38 8.226 8.226 8.445 -0.219 18096 3164 1 5 . 1 1 39 39 MET N N 39 117.932 117.932 117.496 0.436 18096 3165 1 5 . 1 1 39 39 MET HA H 39 4.135 4.135 4.179 -0.044 18096 3166 1 5 . 1 1 39 39 MET C C 39 178.602 178.602 178.140 0.462 18096 3167 1 5 . 1 1 39 39 MET CA C 39 58.851 58.851 58.801 0.050 18096 3168 1 5 . 1 1 39 39 MET CB C 39 32.220 32.220 31.713 0.507 18096 3169 1 5 . 1 1 39 39 MET H H 39 8.262 8.262 8.158 0.104 18096 3170 1 5 . 1 1 40 40 THR N N 40 117.201 117.201 116.158 1.043 18096 3171 1 5 . 1 1 40 40 THR HA H 40 3.673 3.673 4.040 -0.367 18096 3172 1 5 . 1 1 40 40 THR C C 40 175.927 175.927 176.778 -0.851 18096 3173 1 5 . 1 1 40 40 THR CA C 40 67.352 67.352 66.473 0.879 18096 3174 1 5 . 1 1 40 40 THR H H 40 8.341 8.341 7.900 0.441 18096 3175 1 5 . 1 1 41 41 LEU N N 41 120.040 120.040 123.446 -3.406 18096 3176 1 5 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.214 -0.162 18096 3177 1 5 . 1 1 41 41 LEU C C 41 177.809 177.809 178.138 -0.329 18096 3178 1 5 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.136 0.251 18096 3179 1 5 . 1 1 41 41 LEU H H 41 8.181 8.181 7.746 0.435 18096 3180 1 5 . 1 1 42 42 CYS N N 42 117.556 117.556 118.334 -0.778 18096 3181 1 5 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.064 -0.112 18096 3182 1 5 . 1 1 42 42 CYS C C 42 176.460 176.460 176.867 -0.407 18096 3183 1 5 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.384 1.112 18096 3184 1 5 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.194 -0.361 18096 3185 1 5 . 1 1 42 42 CYS H H 42 7.949 7.949 7.618 0.331 18096 3186 1 5 . 1 1 43 43 ILE N N 43 117.336 117.336 119.473 -2.137 18096 3187 1 5 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.745 -0.116 18096 3188 1 5 . 1 1 43 43 ILE C C 43 177.256 177.256 177.864 -0.608 18096 3189 1 5 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.908 0.167 18096 3190 1 5 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.715 0.229 18096 3191 1 5 . 1 1 43 43 ILE H H 43 8.347 8.347 7.567 0.780 18096 3192 1 5 . 1 1 44 44 SER N N 44 116.243 116.243 117.043 -0.800 18096 3193 1 5 . 1 1 44 44 SER HA H 44 4.083 4.083 4.179 -0.096 18096 3194 1 5 . 1 1 44 44 SER C C 44 176.305 176.305 176.892 -0.587 18096 3195 1 5 . 1 1 44 44 SER CA C 44 63.348 63.348 62.402 0.946 18096 3196 1 5 . 1 1 44 44 SER CB C 44 62.954 62.954 63.235 -0.281 18096 3197 1 5 . 1 1 44 44 SER H H 44 8.064 8.064 7.900 0.164 18096 3198 1 5 . 1 1 45 45 VAL N N 45 120.333 120.333 121.863 -1.530 18096 3199 1 5 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.756 -0.240 18096 3200 1 5 . 1 1 45 45 VAL C C 45 177.247 177.247 177.940 -0.693 18096 3201 1 5 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.768 0.170 18096 3202 1 5 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.756 0.004 18096 3203 1 5 . 1 1 45 45 VAL H H 45 8.036 8.036 8.339 -0.303 18096 3204 1 5 . 1 1 46 46 LEU N N 46 119.430 119.430 119.750 -0.320 18096 3205 1 5 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.010 -0.062 18096 3206 1 5 . 1 1 46 46 LEU C C 46 180.032 180.032 178.947 1.085 18096 3207 1 5 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.403 0.123 18096 3208 1 5 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.827 0.158 18096 3209 1 5 . 1 1 46 46 LEU H H 46 7.959 7.959 7.406 0.553 18096 3210 1 5 . 1 1 47 47 LEU N N 47 121.110 121.110 120.046 1.064 18096 3211 1 5 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.018 -0.020 18096 3212 1 5 . 1 1 47 47 LEU C C 47 177.985 177.985 178.609 -0.624 18096 3213 1 5 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.692 0.747 18096 3214 1 5 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.510 0.536 18096 3215 1 5 . 1 1 47 47 LEU H H 47 8.695 8.695 7.933 0.762 18096 3216 1 5 . 1 1 48 48 ALA N N 48 121.251 121.251 121.378 -0.127 18096 3217 1 5 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.892 -0.047 18096 3218 1 5 . 1 1 48 48 ALA C C 48 178.834 178.834 179.619 -0.785 18096 3219 1 5 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.239 0.470 18096 3220 1 5 . 1 1 48 48 ALA CB C 48 18.133 18.133 17.836 0.297 18096 3221 1 5 . 1 1 48 48 ALA H H 48 8.272 8.272 7.629 0.643 18096 3222 1 5 . 1 1 49 49 LEU N N 49 116.290 116.290 119.209 -2.919 18096 3223 1 5 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.197 -0.200 18096 3224 1 5 . 1 1 49 49 LEU C C 49 178.068 178.068 178.896 -0.828 18096 3225 1 5 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.838 0.470 18096 3226 1 5 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.026 -0.080 18096 3227 1 5 . 1 1 49 49 LEU H H 49 8.526 8.526 7.771 0.755 18096 3228 1 5 . 1 1 50 50 THR N N 50 115.495 115.495 114.330 1.165 18096 3229 1 5 . 1 1 50 50 THR HA H 50 3.692 3.692 3.970 -0.278 18096 3230 1 5 . 1 1 50 50 THR C C 50 176.061 176.061 176.639 -0.578 18096 3231 1 5 . 1 1 50 50 THR CA C 50 68.786 68.786 66.607 2.179 18096 3232 1 5 . 1 1 50 50 THR H H 50 7.996 7.996 7.710 0.286 18096 3233 1 5 . 1 1 51 51 VAL N N 51 119.977 119.977 121.645 -1.668 18096 3234 1 5 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.597 -0.101 18096 3235 1 5 . 1 1 51 51 VAL C C 51 177.063 177.063 177.922 -0.859 18096 3236 1 5 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.172 1.191 18096 3237 1 5 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.052 0.566 18096 3238 1 5 . 1 1 51 51 VAL H H 51 8.145 8.145 7.272 0.873 18096 3239 1 5 . 1 1 52 52 PHE N N 52 118.836 118.836 118.799 0.037 18096 3240 1 5 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.216 -0.114 18096 3241 1 5 . 1 1 52 52 PHE C C 52 176.721 176.721 177.985 -1.264 18096 3242 1 5 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.846 -0.207 18096 3243 1 5 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.022 1.307 18096 3244 1 5 . 1 1 52 52 PHE H H 52 8.354 8.354 7.415 0.939 18096 3245 1 5 . 1 1 53 53 LEU N N 53 117.271 117.271 120.484 -3.213 18096 3246 1 5 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.947 -0.075 18096 3247 1 5 . 1 1 53 53 LEU C C 53 179.184 179.184 178.645 0.539 18096 3248 1 5 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.826 -0.969 18096 3249 1 5 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.988 0.007 18096 3250 1 5 . 1 1 53 53 LEU H H 53 8.438 8.438 7.693 0.745 18096 3251 1 5 . 1 1 54 54 LEU N N 54 119.310 119.310 118.634 0.676 18096 3252 1 5 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.935 0.072 18096 3253 1 5 . 1 1 54 54 LEU C C 54 179.224 179.224 179.171 0.053 18096 3254 1 5 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.285 -0.197 18096 3255 1 5 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.816 0.213 18096 3256 1 5 . 1 1 54 54 LEU H H 54 8.147 8.147 7.524 0.623 18096 3257 1 5 . 1 1 55 55 LEU N N 55 118.400 118.400 120.290 -1.890 18096 3258 1 5 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.934 0.166 18096 3259 1 5 . 1 1 55 55 LEU C C 55 178.974 178.974 178.915 0.059 18096 3260 1 5 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.933 -1.072 18096 3261 1 5 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.153 -0.181 18096 3262 1 5 . 1 1 55 55 LEU H H 55 8.096 8.096 7.703 0.393 18096 3263 1 5 . 1 1 56 56 ILE N N 56 115.919 115.919 116.459 -0.540 18096 3264 1 5 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.155 -0.299 18096 3265 1 5 . 1 1 56 56 ILE C C 56 176.763 176.763 177.566 -0.803 18096 3266 1 5 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.674 -0.163 18096 3267 1 5 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.947 -0.258 18096 3268 1 5 . 1 1 56 56 ILE H H 56 8.028 8.028 7.699 0.329 18096 3269 1 5 . 1 1 57 57 SER N N 57 114.862 114.862 114.506 0.356 18096 3270 1 5 . 1 1 57 57 SER HA H 57 4.178 4.178 4.195 -0.017 18096 3271 1 5 . 1 1 57 57 SER C C 57 175.258 175.258 175.873 -0.615 18096 3272 1 5 . 1 1 57 57 SER CA C 57 60.946 60.946 60.907 0.039 18096 3273 1 5 . 1 1 57 57 SER CB C 57 63.558 63.558 63.383 0.175 18096 3274 1 5 . 1 1 57 57 SER H H 57 7.689 7.689 8.231 -0.542 18096 3275 1 5 . 1 1 58 58 LYS N N 58 118.080 118.080 119.660 -1.580 18096 3276 1 5 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.338 -0.051 18096 3277 1 5 . 1 1 58 58 LYS C C 58 176.668 176.668 176.734 -0.066 18096 3278 1 5 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.590 -1.483 18096 3279 1 5 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.019 -1.955 18096 3280 1 5 . 1 1 58 58 LYS H H 58 7.595 7.595 7.481 0.114 18096 3281 1 5 . 1 1 59 59 ILE N N 59 116.926 116.926 119.290 -2.364 18096 3282 1 5 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.277 -0.243 18096 3283 1 5 . 1 1 59 59 ILE C C 59 175.226 175.226 174.678 0.548 18096 3284 1 5 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.471 1.913 18096 3285 1 5 . 1 1 59 59 ILE CB C 59 38.073 38.073 41.182 -3.109 18096 3286 1 5 . 1 1 59 59 ILE H H 59 7.706 7.706 7.503 0.203 18096 3287 1 5 . 1 1 60 60 VAL N N 60 119.235 119.235 124.458 -5.223 18096 3288 1 5 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.443 -0.117 18096 3289 1 5 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.291 0.456 18096 3290 1 5 . 1 1 60 60 VAL CB C 60 32.266 32.266 32.294 -0.028 18096 3291 1 5 . 1 1 60 60 VAL H H 60 7.586 7.586 8.215 -0.629 18096 3292 1 5 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.313 0.331 18096 3293 1 5 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.651 -0.130 18096 3294 1 5 . 1 1 61 61 PRO CB C 61 31.136 31.136 29.911 1.225 18096 3295 1 5 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.268 0.223 18096 3296 1 5 . 1 1 62 62 PRO C C 62 176.912 176.912 176.472 0.440 18096 3297 1 5 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.142 -0.899 18096 3298 1 5 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.082 -0.204 18096 3299 1 5 . 1 1 63 63 THR N N 63 111.607 111.607 107.545 4.062 18096 3300 1 5 . 1 1 63 63 THR HA H 63 4.447 4.447 3.944 0.503 18096 3301 1 5 . 1 1 63 63 THR C C 63 174.725 174.725 175.238 -0.513 18096 3302 1 5 . 1 1 63 63 THR CA C 63 61.245 61.245 62.816 -1.571 18096 3303 1 5 . 1 1 63 63 THR CB C 63 69.807 69.807 67.391 2.416 18096 3304 1 5 . 1 1 63 63 THR H H 63 7.915 7.915 7.930 -0.015 18096 3305 1 5 . 1 1 64 64 SER N N 64 116.516 116.516 114.692 1.824 18096 3306 1 5 . 1 1 64 64 SER HA H 64 4.411 4.411 4.157 0.254 18096 3307 1 5 . 1 1 64 64 SER C C 64 174.580 174.580 175.423 -0.843 18096 3308 1 5 . 1 1 64 64 SER CA C 64 58.608 58.608 59.663 -1.055 18096 3309 1 5 . 1 1 64 64 SER CB C 64 63.742 63.742 63.203 0.539 18096 3310 1 5 . 1 1 64 64 SER H H 64 8.127 8.127 8.092 0.035 18096 3311 1 5 . 1 1 65 65 SER N N 65 116.921 116.921 116.893 0.028 18096 3312 1 5 . 1 1 65 65 SER HA H 65 4.453 4.453 4.391 0.062 18096 3313 1 5 . 1 1 65 65 SER C C 65 174.100 174.100 174.614 -0.514 18096 3314 1 5 . 1 1 65 65 SER CA C 65 58.584 58.584 58.396 0.188 18096 3315 1 5 . 1 1 65 65 SER CB C 65 63.668 63.668 63.863 -0.195 18096 3316 1 5 . 1 1 65 65 SER H H 65 8.169 8.169 8.192 -0.023 18096 3317 1 5 . 1 1 66 66 ASP N N 66 120.478 120.478 121.504 -1.026 18096 3318 1 5 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.524 0.100 18096 3319 1 5 . 1 1 66 66 ASP C C 66 175.730 175.730 176.967 -1.237 18096 3320 1 5 . 1 1 66 66 ASP CA C 66 54.245 54.245 56.123 -1.878 18096 3321 1 5 . 1 1 66 66 ASP CB C 66 41.195 41.195 40.894 0.301 18096 3322 1 5 . 1 1 66 66 ASP H H 66 8.154 8.154 8.699 -0.545 18096 3323 1 5 . 1 1 67 67 SER N N 67 115.159 115.159 116.036 -0.877 18096 3324 1 5 . 1 1 67 67 SER HA H 67 4.528 4.528 4.694 -0.166 18096 3325 1 5 . 1 1 67 67 SER CA C 67 56.493 56.493 56.900 -0.407 18096 3326 1 5 . 1 1 67 67 SER CB C 67 63.604 63.604 63.991 -0.387 18096 3327 1 5 . 1 1 67 67 SER H H 67 7.930 7.930 7.962 -0.032 18096 3328 1 5 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.570 -0.175 18096 3329 1 5 . 1 1 68 68 PRO C C 68 176.652 176.652 175.956 0.696 18096 3330 1 5 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.747 0.846 18096 3331 1 5 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.459 -1.107 18096 3332 1 5 . 1 1 69 69 SER N N 69 115.859 115.859 112.157 3.702 18096 3333 1 5 . 1 1 69 69 SER HA H 69 4.436 4.436 4.646 -0.210 18096 3334 1 5 . 1 1 69 69 SER C C 69 174.611 174.611 175.848 -1.237 18096 3335 1 5 . 1 1 69 69 SER CA C 69 58.264 58.264 59.966 -1.702 18096 3336 1 5 . 1 1 69 69 SER CB C 69 63.919 63.919 63.711 0.208 18096 3337 1 5 . 1 1 69 69 SER H H 69 8.256 8.256 8.189 0.067 18096 3338 1 5 . 1 1 70 70 VAL N N 70 117.241 117.241 121.506 -4.265 18096 3339 1 5 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.997 -0.195 18096 3340 1 5 . 1 1 70 70 VAL C C 70 177.772 177.772 178.297 -0.525 18096 3341 1 5 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.691 0.953 18096 3342 1 5 . 1 1 70 70 VAL CB C 70 31.896 31.896 30.559 1.337 18096 3343 1 5 . 1 1 70 70 VAL H H 70 8.211 8.211 8.342 -0.131 18096 3344 1 5 . 1 1 71 71 GLY N N 71 106.999 106.999 108.532 -1.533 18096 3345 1 5 . 1 1 71 71 GLY C C 71 175.551 175.551 176.081 -0.530 18096 3346 1 5 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.525 0.720 18096 3347 1 5 . 1 1 71 71 GLY H H 71 8.566 8.566 8.359 0.207 18096 3348 1 5 . 1 1 72 72 GLU N N 72 121.376 121.376 122.356 -0.980 18096 3349 1 5 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.988 -0.099 18096 3350 1 5 . 1 1 72 72 GLU C C 72 178.495 178.495 178.680 -0.185 18096 3351 1 5 . 1 1 72 72 GLU CA C 72 60.118 60.118 60.023 0.095 18096 3352 1 5 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.547 0.042 18096 3353 1 5 . 1 1 72 72 GLU H H 72 7.919 7.919 8.586 -0.667 18096 3354 1 5 . 1 1 73 73 TYR N N 73 117.643 117.643 120.436 -2.793 18096 3355 1 5 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.395 -0.333 18096 3356 1 5 . 1 1 73 73 TYR C C 73 179.921 179.921 177.818 2.103 18096 3357 1 5 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.673 0.457 18096 3358 1 5 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.593 0.324 18096 3359 1 5 . 1 1 73 73 TYR H H 73 8.095 8.095 8.461 -0.366 18096 3360 1 5 . 1 1 74 74 LEU N N 74 121.712 121.712 120.623 1.089 18096 3361 1 5 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.874 0.189 18096 3362 1 5 . 1 1 74 74 LEU C C 74 178.385 178.385 178.960 -0.575 18096 3363 1 5 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.718 0.756 18096 3364 1 5 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.106 0.832 18096 3365 1 5 . 1 1 74 74 LEU H H 74 8.615 8.615 7.612 1.003 18096 3366 1 5 . 1 1 75 75 MET N N 75 119.087 119.087 118.919 0.168 18096 3367 1 5 . 1 1 75 75 MET HA H 75 4.056 4.056 3.889 0.167 18096 3368 1 5 . 1 1 75 75 MET C C 75 177.851 177.851 178.254 -0.403 18096 3369 1 5 . 1 1 75 75 MET CA C 75 59.166 59.166 59.566 -0.400 18096 3370 1 5 . 1 1 75 75 MET CB C 75 32.093 32.093 32.250 -0.157 18096 3371 1 5 . 1 1 75 75 MET H H 75 8.362 8.362 7.827 0.535 18096 3372 1 5 . 1 1 76 76 PHE N N 76 117.788 117.788 117.059 0.729 18096 3373 1 5 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.094 0.011 18096 3374 1 5 . 1 1 76 76 PHE C C 76 177.305 177.305 177.918 -0.613 18096 3375 1 5 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.247 0.129 18096 3376 1 5 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.202 0.759 18096 3377 1 5 . 1 1 76 76 PHE H H 76 8.471 8.471 7.609 0.862 18096 3378 1 5 . 1 1 77 77 THR N N 77 115.298 115.298 116.085 -0.787 18096 3379 1 5 . 1 1 77 77 THR HA H 77 3.673 3.673 3.945 -0.272 18096 3380 1 5 . 1 1 77 77 THR C C 77 176.057 176.057 176.552 -0.495 18096 3381 1 5 . 1 1 77 77 THR CA C 77 68.423 68.423 66.573 1.850 18096 3382 1 5 . 1 1 77 77 THR CB C 77 68.204 68.204 68.548 -0.344 18096 3383 1 5 . 1 1 77 77 THR H H 77 8.179 8.179 8.356 -0.177 18096 3384 1 5 . 1 1 78 78 MET N N 78 119.204 119.204 121.443 -2.239 18096 3385 1 5 . 1 1 78 78 MET HA H 78 4.092 4.092 4.245 -0.153 18096 3386 1 5 . 1 1 78 78 MET C C 78 179.421 179.421 178.179 1.242 18096 3387 1 5 . 1 1 78 78 MET CA C 78 58.810 58.810 58.711 0.099 18096 3388 1 5 . 1 1 78 78 MET CB C 78 32.176 32.176 32.018 0.158 18096 3389 1 5 . 1 1 78 78 MET H H 78 8.310 8.310 8.175 0.135 18096 3390 1 5 . 1 1 79 79 VAL N N 79 122.115 122.115 119.120 2.995 18096 3391 1 5 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.915 -0.423 18096 3392 1 5 . 1 1 79 79 VAL C C 79 176.866 176.866 177.782 -0.916 18096 3393 1 5 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.611 1.763 18096 3394 1 5 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.600 0.015 18096 3395 1 5 . 1 1 79 79 VAL H H 79 8.239 8.239 7.669 0.570 18096 3396 1 5 . 1 1 80 80 LEU N N 80 120.240 120.240 121.276 -1.036 18096 3397 1 5 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.164 -0.225 18096 3398 1 5 . 1 1 80 80 LEU C C 80 180.078 180.078 179.615 0.463 18096 3399 1 5 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.880 0.717 18096 3400 1 5 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.030 0.911 18096 3401 1 5 . 1 1 80 80 LEU H H 80 8.058 8.058 7.485 0.573 18096 3402 1 5 . 1 1 81 81 VAL N N 81 120.008 120.008 119.995 0.013 18096 3403 1 5 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.723 -0.265 18096 3404 1 5 . 1 1 81 81 VAL C C 81 177.670 177.670 178.261 -0.591 18096 3405 1 5 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.266 0.071 18096 3406 1 5 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.108 0.507 18096 3407 1 5 . 1 1 81 81 VAL H H 81 8.800 8.800 8.718 0.082 18096 3408 1 5 . 1 1 82 82 THR N N 82 116.872 116.872 117.513 -0.641 18096 3409 1 5 . 1 1 82 82 THR HA H 82 3.676 3.676 4.019 -0.343 18096 3410 1 5 . 1 1 82 82 THR C C 82 176.268 176.268 177.002 -0.734 18096 3411 1 5 . 1 1 82 82 THR CA C 82 68.590 68.590 66.877 1.713 18096 3412 1 5 . 1 1 82 82 THR CB C 82 68.468 68.468 68.428 0.040 18096 3413 1 5 . 1 1 82 82 THR H H 82 8.109 8.109 8.081 0.028 18096 3414 1 5 . 1 1 83 83 PHE N N 83 119.777 119.777 120.022 -0.245 18096 3415 1 5 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.375 -0.294 18096 3416 1 5 . 1 1 83 83 PHE C C 83 178.015 178.015 177.693 0.322 18096 3417 1 5 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.534 0.078 18096 3418 1 5 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.619 0.067 18096 3419 1 5 . 1 1 83 83 PHE H H 83 8.754 8.754 7.952 0.802 18096 3420 1 5 . 1 1 84 84 SER N N 84 117.769 117.769 117.046 0.723 18096 3421 1 5 . 1 1 84 84 SER HA H 84 4.091 4.091 4.410 -0.319 18096 3422 1 5 . 1 1 84 84 SER C C 84 175.899 175.899 176.817 -0.918 18096 3423 1 5 . 1 1 84 84 SER CA C 84 63.269 63.269 61.845 1.424 18096 3424 1 5 . 1 1 84 84 SER CB C 84 62.962 62.962 63.057 -0.095 18096 3425 1 5 . 1 1 84 84 SER H H 84 8.335 8.335 8.097 0.238 18096 3426 1 5 . 1 1 85 85 ILE N N 85 122.986 122.986 121.827 1.159 18096 3427 1 5 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.706 -0.057 18096 3428 1 5 . 1 1 85 85 ILE C C 85 177.778 177.778 177.722 0.056 18096 3429 1 5 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.618 0.886 18096 3430 1 5 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.130 0.985 18096 3431 1 5 . 1 1 85 85 ILE H H 85 8.187 8.187 8.347 -0.160 18096 3432 1 5 . 1 1 86 86 VAL N N 86 117.289 117.289 119.388 -2.099 18096 3433 1 5 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.472 0.037 18096 3434 1 5 . 1 1 86 86 VAL C C 86 177.816 177.816 177.883 -0.067 18096 3435 1 5 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.521 -0.474 18096 3436 1 5 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.620 -0.024 18096 3437 1 5 . 1 1 86 86 VAL H H 86 8.367 8.367 7.562 0.805 18096 3438 1 5 . 1 1 87 87 THR N N 87 116.788 116.788 112.658 4.130 18096 3439 1 5 . 1 1 87 87 THR HA H 87 3.758 3.758 3.830 -0.072 18096 3440 1 5 . 1 1 87 87 THR C C 87 176.095 176.095 177.124 -1.029 18096 3441 1 5 . 1 1 87 87 THR CA C 87 67.248 67.248 66.172 1.076 18096 3442 1 5 . 1 1 87 87 THR H H 87 8.007 8.007 7.993 0.014 18096 3443 1 5 . 1 1 88 88 SER N N 88 116.157 116.157 118.056 -1.899 18096 3444 1 5 . 1 1 88 88 SER HA H 88 4.018 4.018 4.217 -0.199 18096 3445 1 5 . 1 1 88 88 SER C C 88 174.932 174.932 176.568 -1.636 18096 3446 1 5 . 1 1 88 88 SER CA C 88 62.717 62.717 61.691 1.026 18096 3447 1 5 . 1 1 88 88 SER CB C 88 62.954 62.954 62.914 0.040 18096 3448 1 5 . 1 1 88 88 SER H H 88 7.662 7.662 7.789 -0.127 18096 3449 1 5 . 1 1 89 89 VAL N N 89 117.956 117.956 121.624 -3.668 18096 3450 1 5 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.720 -0.204 18096 3451 1 5 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.004 1.262 18096 3452 1 5 . 1 1 89 89 VAL H H 89 8.274 8.274 8.284 -0.010 18096 3453 1 5 . 1 1 90 90 CYS N N 90 116.319 116.319 117.192 -0.873 18096 3454 1 5 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.044 0.185 18096 3455 1 5 . 1 1 90 90 CYS C C 90 175.174 175.174 176.127 -0.953 18096 3456 1 5 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.790 -1.172 18096 3457 1 5 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.584 -0.793 18096 3458 1 5 . 1 1 90 90 CYS H H 90 7.654 7.654 7.931 -0.277 18096 3459 1 5 . 1 1 91 91 VAL N N 91 115.534 115.534 117.858 -2.324 18096 3460 1 5 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.761 -0.135 18096 3461 1 5 . 1 1 91 91 VAL C C 91 176.038 176.038 177.224 -1.186 18096 3462 1 5 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.146 -1.538 18096 3463 1 5 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.031 -0.109 18096 3464 1 5 . 1 1 91 91 VAL H H 91 7.760 7.760 7.251 0.509 18096 3465 1 5 . 1 1 92 92 LEU N N 92 119.713 119.713 119.893 -0.180 18096 3466 1 5 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.025 0.215 18096 3467 1 5 . 1 1 92 92 LEU C C 92 176.769 176.769 177.356 -0.587 18096 3468 1 5 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.222 -1.632 18096 3469 1 5 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.720 -0.788 18096 3470 1 5 . 1 1 92 92 LEU H H 92 7.732 7.732 7.480 0.252 18096 3471 1 5 . 1 1 93 93 ASN N N 93 117.817 117.817 113.109 4.708 18096 3472 1 5 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.815 -0.139 18096 3473 1 5 . 1 1 93 93 ASN C C 93 174.955 174.955 173.039 1.916 18096 3474 1 5 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.848 0.407 18096 3475 1 5 . 1 1 93 93 ASN CB C 93 39.508 39.508 41.681 -2.173 18096 3476 1 5 . 1 1 93 93 ASN H H 93 7.916 7.916 7.939 -0.023 18096 3477 1 5 . 1 1 94 94 VAL N N 94 118.650 118.650 119.618 -0.968 18096 3478 1 5 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.203 -0.179 18096 3479 1 5 . 1 1 94 94 VAL C C 94 175.740 175.740 173.901 1.839 18096 3480 1 5 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.377 0.156 18096 3481 1 5 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.436 -1.804 18096 3482 1 5 . 1 1 94 94 VAL H H 94 7.730 7.730 8.285 -0.555 18096 3483 1 5 . 1 1 95 95 HIS N N 95 121.293 121.293 125.492 -4.199 18096 3484 1 5 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.883 -0.264 18096 3485 1 5 . 1 1 95 95 HIS C C 95 174.146 174.146 174.078 0.068 18096 3486 1 5 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.180 -0.598 18096 3487 1 5 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.419 -0.664 18096 3488 1 5 . 1 1 95 95 HIS H H 95 8.341 8.341 8.196 0.145 18096 3489 1 5 . 1 1 96 96 HIS N N 96 122.728 122.728 123.099 -0.371 18096 3490 1 5 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.826 -0.191 18096 3491 1 5 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.546 0.036 18096 3492 1 5 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.728 -0.955 18096 3493 1 5 . 1 1 96 96 HIS H H 96 8.333 8.333 8.242 0.091 18096 3494 1 5 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.620 -0.325 18096 3495 1 5 . 1 1 97 97 ARG C C 97 175.776 175.776 175.116 0.660 18096 3496 1 5 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.899 0.331 18096 3497 1 5 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.463 -0.433 18096 3498 1 5 . 1 1 98 98 SER N N 98 118.439 118.439 118.008 0.431 18096 3499 1 5 . 1 1 98 98 SER HA H 98 4.736 4.736 4.834 -0.098 18096 3500 1 5 . 1 1 98 98 SER CA C 98 56.614 56.614 57.134 -0.520 18096 3501 1 5 . 1 1 98 98 SER CB C 98 63.622 63.622 64.194 -0.572 18096 3502 1 5 . 1 1 98 98 SER H H 98 8.250 8.250 8.291 -0.041 18096 3503 1 5 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.512 -0.118 18096 3504 1 5 . 1 1 99 99 PRO C C 99 176.879 176.879 176.597 0.282 18096 3505 1 5 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.359 -0.662 18096 3506 1 5 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.144 -0.098 18096 3507 1 5 . 1 1 100 100 GLU N N 100 120.297 120.297 118.969 1.328 18096 3508 1 5 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.543 -0.244 18096 3509 1 5 . 1 1 100 100 GLU C C 100 176.576 176.576 175.537 1.039 18096 3510 1 5 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.764 0.703 18096 3511 1 5 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.909 -1.965 18096 3512 1 5 . 1 1 100 100 GLU H H 100 8.391 8.391 8.017 0.374 18096 3513 1 5 . 1 1 101 101 THR N N 101 114.144 114.144 119.070 -4.926 18096 3514 1 5 . 1 1 101 101 THR HA H 101 4.280 4.280 4.280 0.000 18096 3515 1 5 . 1 1 101 101 THR C C 101 174.515 174.515 174.804 -0.289 18096 3516 1 5 . 1 1 101 101 THR CA C 101 61.975 61.975 62.968 -0.993 18096 3517 1 5 . 1 1 101 101 THR CB C 101 69.817 69.817 68.561 1.256 18096 3518 1 5 . 1 1 101 101 THR H H 101 7.946 7.946 8.498 -0.552 18096 3519 1 5 . 1 1 102 102 HIS N N 102 120.429 120.429 126.734 -6.305 18096 3520 1 5 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.664 0.086 18096 3521 1 5 . 1 1 102 102 HIS C C 102 174.764 174.764 175.964 -1.200 18096 3522 1 5 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.849 -0.164 18096 3523 1 5 . 1 1 102 102 HIS CB C 102 29.245 29.245 31.181 -1.936 18096 3524 1 5 . 1 1 102 102 HIS H H 102 8.459 8.459 8.465 -0.006 18096 3525 1 5 . 1 1 103 103 THR N N 103 114.319 114.319 112.762 1.557 18096 3526 1 5 . 1 1 103 103 THR HA H 103 4.345 4.345 4.170 0.175 18096 3527 1 5 . 1 1 103 103 THR C C 103 175.087 175.087 174.596 0.491 18096 3528 1 5 . 1 1 103 103 THR CA C 103 61.976 61.976 62.722 -0.746 18096 3529 1 5 . 1 1 103 103 THR CB C 103 69.831 69.831 69.363 0.468 18096 3530 1 5 . 1 1 103 103 THR H H 103 8.068 8.068 8.270 -0.202 18096 3531 1 5 . 1 1 104 104 GLY N N 104 111.143 111.143 109.404 1.739 18096 3532 1 5 . 1 1 104 104 GLY C C 104 174.757 174.757 173.716 1.041 18096 3533 1 5 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.645 0.957 18096 3534 1 5 . 1 1 104 104 GLY H H 104 8.389 8.389 8.164 0.225 18096 3535 1 5 . 1 1 105 105 GLY N N 105 108.642 108.642 109.578 -0.936 18096 3536 1 5 . 1 1 105 105 GLY C C 105 174.892 174.892 175.865 -0.973 18096 3537 1 5 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.413 0.189 18096 3538 1 5 . 1 1 105 105 GLY H H 105 8.272 8.272 10.121 -1.849 18096 3539 1 5 . 1 1 106 106 GLY N N 106 108.820 108.820 108.345 0.475 18096 3540 1 5 . 1 1 106 106 GLY C C 106 174.886 174.886 174.874 0.012 18096 3541 1 5 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.350 1.252 18096 3542 1 5 . 1 1 106 106 GLY H H 106 8.359 8.359 8.263 0.096 18096 3543 1 5 . 1 1 107 107 GLY N N 107 108.550 108.550 107.321 1.229 18096 3544 1 5 . 1 1 107 107 GLY C C 107 174.886 174.886 175.320 -0.434 18096 3545 1 5 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.787 0.815 18096 3546 1 5 . 1 1 107 107 GLY H H 107 8.338 8.338 7.976 0.362 18096 3547 1 5 . 1 1 108 108 GLY N N 108 108.519 108.519 114.053 -5.534 18096 3548 1 5 . 1 1 108 108 GLY C C 108 175.411 175.411 175.696 -0.285 18096 3549 1 5 . 1 1 108 108 GLY CA C 108 45.807 45.807 45.028 0.779 18096 3550 1 5 . 1 1 108 108 GLY H H 108 8.336 8.336 8.679 -0.343 18096 3551 1 5 . 1 1 109 109 ILE N N 109 120.914 120.914 121.172 -0.258 18096 3552 1 5 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.828 0.148 18096 3553 1 5 . 1 1 109 109 ILE C C 109 176.019 176.019 175.928 0.091 18096 3554 1 5 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.611 -1.684 18096 3555 1 5 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.733 0.340 18096 3556 1 5 . 1 1 109 109 ILE H H 109 8.233 8.233 8.156 0.077 18096 3557 1 5 . 1 1 110 110 ASP N N 110 121.149 121.149 121.319 -0.170 18096 3558 1 5 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.733 -0.481 18096 3559 1 5 . 1 1 110 110 ASP C C 110 177.648 177.648 178.475 -0.827 18096 3560 1 5 . 1 1 110 110 ASP CA C 110 56.801 56.801 58.159 -1.358 18096 3561 1 5 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.944 0.237 18096 3562 1 5 . 1 1 110 110 ASP H H 110 8.369 8.369 8.689 -0.320 18096 3563 1 5 . 1 1 111 111 ARG N N 111 119.198 119.198 120.284 -1.086 18096 3564 1 5 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.267 -0.278 18096 3565 1 5 . 1 1 111 111 ARG C C 111 177.502 177.502 179.003 -1.501 18096 3566 1 5 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.288 0.432 18096 3567 1 5 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.602 0.500 18096 3568 1 5 . 1 1 111 111 ARG H H 111 7.835 7.835 8.539 -0.704 18096 3569 1 5 . 1 1 112 112 LEU N N 112 118.935 118.935 120.842 -1.907 18096 3570 1 5 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.128 -0.125 18096 3571 1 5 . 1 1 112 112 LEU C C 112 178.356 178.356 178.431 -0.075 18096 3572 1 5 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.291 -0.056 18096 3573 1 5 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.112 -0.369 18096 3574 1 5 . 1 1 112 112 LEU H H 112 7.783 7.783 8.212 -0.429 18096 3575 1 5 . 1 1 113 113 PHE N N 113 116.117 116.117 119.325 -3.208 18096 3576 1 5 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.236 -0.152 18096 3577 1 5 . 1 1 113 113 PHE C C 113 177.092 177.092 177.273 -0.181 18096 3578 1 5 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.948 1.444 18096 3579 1 5 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.042 -0.151 18096 3580 1 5 . 1 1 113 113 PHE H H 113 8.072 8.072 7.934 0.138 18096 3581 1 5 . 1 1 114 114 LEU N N 114 118.710 118.710 120.958 -2.248 18096 3582 1 5 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.419 0.582 18096 3583 1 5 . 1 1 114 114 LEU C C 114 178.210 178.210 178.517 -0.307 18096 3584 1 5 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.599 -0.090 18096 3585 1 5 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.853 -0.069 18096 3586 1 5 . 1 1 114 114 LEU H H 114 7.881 7.881 8.432 -0.551 18096 3587 1 5 . 1 1 115 115 TRP N N 115 117.801 117.801 120.871 -3.070 18096 3588 1 5 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.456 -0.174 18096 3589 1 5 . 1 1 115 115 TRP C C 115 178.536 178.536 178.335 0.201 18096 3590 1 5 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.526 0.218 18096 3591 1 5 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.747 -0.622 18096 3592 1 5 . 1 1 115 115 TRP H H 115 7.925 7.925 7.910 0.015 18096 3593 1 5 . 1 1 116 116 ILE N N 116 118.212 118.212 119.832 -1.620 18096 3594 1 5 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.330 0.364 18096 3595 1 5 . 1 1 116 116 ILE C C 116 177.423 177.423 177.646 -0.223 18096 3596 1 5 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.908 1.079 18096 3597 1 5 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.884 0.267 18096 3598 1 5 . 1 1 116 116 ILE H H 116 8.355 8.355 8.325 0.030 18096 3599 1 5 . 1 1 117 117 PHE N N 117 119.509 119.509 118.809 0.700 18096 3600 1 5 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.060 0.034 18096 3601 1 5 . 1 1 117 117 PHE C C 117 177.389 177.389 177.062 0.327 18096 3602 1 5 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.705 1.240 18096 3603 1 5 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.814 0.125 18096 3604 1 5 . 1 1 117 117 PHE H H 117 8.419 8.419 7.405 1.014 18096 3605 1 5 . 1 1 118 118 VAL N N 118 118.927 118.927 118.918 0.009 18096 3606 1 5 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.518 -0.008 18096 3607 1 5 . 1 1 118 118 VAL C C 118 177.452 177.452 178.303 -0.851 18096 3608 1 5 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.704 0.736 18096 3609 1 5 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.276 0.186 18096 3610 1 5 . 1 1 118 118 VAL H H 118 8.509 8.509 7.499 1.010 18096 3611 1 5 . 1 1 119 119 PHE N N 119 118.638 118.638 120.298 -1.660 18096 3612 1 5 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.055 -0.015 18096 3613 1 5 . 1 1 119 119 PHE C C 119 177.403 177.403 177.494 -0.091 18096 3614 1 5 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.080 0.523 18096 3615 1 5 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.662 0.483 18096 3616 1 5 . 1 1 119 119 PHE H H 119 8.477 8.477 7.949 0.528 18096 3617 1 5 . 1 1 120 120 VAL N N 120 118.660 118.660 119.422 -0.762 18096 3618 1 5 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.617 -0.150 18096 3619 1 5 . 1 1 120 120 VAL C C 120 177.851 177.851 177.362 0.489 18096 3620 1 5 . 1 1 120 120 VAL CA C 120 67.436 67.436 64.756 2.680 18096 3621 1 5 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.470 0.189 18096 3622 1 5 . 1 1 120 120 VAL H H 120 8.705 8.705 7.531 1.174 18096 3623 1 5 . 1 1 121 121 CYS N N 121 117.055 117.055 119.053 -1.998 18096 3624 1 5 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.046 -0.144 18096 3625 1 5 . 1 1 121 121 CYS C C 121 177.629 177.629 176.547 1.082 18096 3626 1 5 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.102 2.237 18096 3627 1 5 . 1 1 121 121 CYS CB C 121 26.789 26.789 25.802 0.987 18096 3628 1 5 . 1 1 121 121 CYS H H 121 7.981 7.981 8.274 -0.293 18096 3629 1 5 . 1 1 122 122 VAL N N 122 120.422 120.422 121.093 -0.671 18096 3630 1 5 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.493 -0.014 18096 3631 1 5 . 1 1 122 122 VAL C C 122 176.923 176.923 177.769 -0.846 18096 3632 1 5 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.307 0.954 18096 3633 1 5 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.506 0.620 18096 3634 1 5 . 1 1 122 122 VAL H H 122 8.487 8.487 7.317 1.170 18096 3635 1 5 . 1 1 123 123 PHE N N 123 117.927 117.927 119.851 -1.924 18096 3636 1 5 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.064 -0.030 18096 3637 1 5 . 1 1 123 123 PHE C C 123 178.151 178.151 177.399 0.752 18096 3638 1 5 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.579 0.515 18096 3639 1 5 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.862 -0.225 18096 3640 1 5 . 1 1 123 123 PHE H H 123 8.630 8.630 7.587 1.043 18096 3641 1 5 . 1 1 124 124 GLY N N 124 106.539 106.539 106.484 0.055 18096 3642 1 5 . 1 1 124 124 GLY C C 124 174.290 174.290 175.868 -1.578 18096 3643 1 5 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.233 0.318 18096 3644 1 5 . 1 1 124 124 GLY H H 124 8.689 8.689 7.996 0.693 18096 3645 1 5 . 1 1 125 125 THR N N 125 117.059 117.059 119.300 -2.241 18096 3646 1 5 . 1 1 125 125 THR HA H 125 3.649 3.649 3.966 -0.317 18096 3647 1 5 . 1 1 125 125 THR C C 125 176.231 176.231 176.700 -0.469 18096 3648 1 5 . 1 1 125 125 THR CA C 125 67.989 67.989 67.069 0.920 18096 3649 1 5 . 1 1 125 125 THR H H 125 7.553 7.553 8.114 -0.561 18096 3650 1 5 . 1 1 126 126 ILE N N 126 119.538 119.538 120.360 -0.822 18096 3651 1 5 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.613 0.035 18096 3652 1 5 . 1 1 126 126 ILE C C 126 177.976 177.976 177.727 0.249 18096 3653 1 5 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.636 1.079 18096 3654 1 5 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.561 0.269 18096 3655 1 5 . 1 1 126 126 ILE H H 126 8.003 8.003 7.813 0.190 18096 3656 1 5 . 1 1 127 127 GLY N N 127 105.404 105.404 106.896 -1.492 18096 3657 1 5 . 1 1 127 127 GLY C C 127 174.597 174.597 176.064 -1.467 18096 3658 1 5 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.003 0.566 18096 3659 1 5 . 1 1 127 127 GLY H H 127 8.438 8.438 7.728 0.710 18096 3660 1 5 . 1 1 128 128 MET N N 128 117.893 117.893 119.950 -2.057 18096 3661 1 5 . 1 1 128 128 MET HA H 128 4.153 4.153 4.190 -0.037 18096 3662 1 5 . 1 1 128 128 MET C C 128 177.815 177.815 178.492 -0.677 18096 3663 1 5 . 1 1 128 128 MET CA C 128 58.198 58.198 57.394 0.804 18096 3664 1 5 . 1 1 128 128 MET CB C 128 32.113 32.113 31.932 0.181 18096 3665 1 5 . 1 1 128 128 MET H H 128 7.821 7.821 7.478 0.343 18096 3666 1 5 . 1 1 129 129 PHE N N 129 116.018 116.018 119.331 -3.313 18096 3667 1 5 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.264 -0.130 18096 3668 1 5 . 1 1 129 129 PHE C C 129 175.863 175.863 176.288 -0.425 18096 3669 1 5 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.413 -0.598 18096 3670 1 5 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.106 -0.016 18096 3671 1 5 . 1 1 129 129 PHE H H 129 7.797 7.797 7.559 0.238 18096 3672 1 5 . 1 1 130 130 LEU N N 130 115.806 115.806 117.518 -1.712 18096 3673 1 5 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.126 0.212 18096 3674 1 5 . 1 1 130 130 LEU C C 130 177.219 177.219 177.498 -0.279 18096 3675 1 5 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.399 0.068 18096 3676 1 5 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.272 0.152 18096 3677 1 5 . 1 1 130 130 LEU H H 130 7.745 7.745 7.586 0.159 18096 3678 1 5 . 1 1 131 131 GLN N N 131 118.630 118.630 119.402 -0.772 18096 3679 1 5 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.155 -0.051 18096 3680 1 5 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.023 2.296 18096 3681 1 5 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.325 -0.504 18096 3682 1 5 . 1 1 131 131 GLN H H 131 7.808 7.808 7.418 0.390 18096 3683 1 5 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.376 -0.003 18096 3684 1 5 . 1 1 132 132 PRO C C 132 177.739 177.739 177.237 0.502 18096 3685 1 5 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.534 2.849 18096 3686 1 5 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.204 -0.678 18096 3687 1 5 . 1 1 133 133 LEU N N 133 115.632 115.632 117.326 -1.694 18096 3688 1 5 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.186 -0.122 18096 3689 1 5 . 1 1 133 133 LEU C C 133 176.918 176.918 176.016 0.902 18096 3690 1 5 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.621 -0.220 18096 3691 1 5 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.368 -0.379 18096 3692 1 5 . 1 1 133 133 LEU H H 133 7.689 7.689 8.465 -0.776 18096 3693 1 5 . 1 1 134 134 PHE N N 134 114.807 114.807 114.545 0.262 18096 3694 1 5 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.535 -0.006 18096 3695 1 5 . 1 1 134 134 PHE C C 134 175.245 175.245 174.975 0.270 18096 3696 1 5 . 1 1 134 134 PHE CA C 134 57.738 57.738 56.857 0.881 18096 3697 1 5 . 1 1 134 134 PHE CB C 134 39.609 39.609 41.078 -1.469 18096 3698 1 5 . 1 1 134 134 PHE H H 134 7.679 7.679 7.391 0.288 18096 3699 1 5 . 1 1 135 135 GLN N N 135 118.318 118.318 119.855 -1.537 18096 3700 1 5 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.096 0.219 18096 3701 1 5 . 1 1 135 135 GLN C C 135 175.361 175.361 175.658 -0.297 18096 3702 1 5 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.335 -1.228 18096 3703 1 5 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.007 0.859 18096 3704 1 5 . 1 1 135 135 GLN H H 135 7.651 7.651 8.832 -1.181 18096 3705 1 5 . 1 1 136 136 GLU N N 136 120.684 120.684 119.809 0.875 18096 3706 1 5 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.134 0.177 18096 3707 1 5 . 1 1 136 136 GLU C C 136 175.153 175.153 175.253 -0.100 18096 3708 1 5 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.145 -0.670 18096 3709 1 5 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.911 1.321 18096 3710 1 5 . 1 1 136 136 GLU H H 136 8.109 8.109 8.595 -0.486 18096 3711 1 6 . 1 1 3 3 ALA N N 3 124.656 124.656 123.957 0.699 18096 3712 1 6 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.438 -0.232 18096 3713 1 6 . 1 1 3 3 ALA C C 3 178.133 178.133 176.905 1.228 18096 3714 1 6 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.736 0.949 18096 3715 1 6 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.472 -0.389 18096 3716 1 6 . 1 1 3 3 ALA H H 3 8.402 8.402 8.609 -0.207 18096 3717 1 6 . 1 1 4 4 GLU N N 4 117.439 117.439 119.931 -2.492 18096 3718 1 6 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.366 -0.237 18096 3719 1 6 . 1 1 4 4 GLU C C 4 176.534 176.534 175.041 1.493 18096 3720 1 6 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.321 1.103 18096 3721 1 6 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.142 -0.258 18096 3722 1 6 . 1 1 4 4 GLU H H 4 8.219 8.219 8.712 -0.493 18096 3723 1 6 . 1 1 5 5 GLU N N 5 118.815 118.815 118.951 -0.136 18096 3724 1 6 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.590 -0.379 18096 3725 1 6 . 1 1 5 5 GLU C C 5 176.604 176.604 175.441 1.163 18096 3726 1 6 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.137 0.814 18096 3727 1 6 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.490 0.472 18096 3728 1 6 . 1 1 5 5 GLU H H 5 7.992 7.992 8.298 -0.306 18096 3729 1 6 . 1 1 6 6 GLU N N 6 121.446 121.446 124.761 -3.315 18096 3730 1 6 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.398 -0.214 18096 3731 1 6 . 1 1 6 6 GLU CA C 6 57.421 57.421 57.711 -0.290 18096 3732 1 6 . 1 1 6 6 GLU CB C 6 28.983 28.983 29.085 -0.102 18096 3733 1 6 . 1 1 6 6 GLU H H 6 8.148 8.148 8.693 -0.545 18096 3734 1 6 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.469 -0.206 18096 3735 1 6 . 1 1 7 7 PRO C C 7 178.717 178.717 178.340 0.377 18096 3736 1 6 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.166 0.363 18096 3737 1 6 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.555 -0.233 18096 3738 1 6 . 1 1 8 8 LEU N N 8 119.642 119.642 118.802 0.840 18096 3739 1 6 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.291 -0.339 18096 3740 1 6 . 1 1 8 8 LEU C C 8 177.905 177.905 177.760 0.145 18096 3741 1 6 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.157 1.774 18096 3742 1 6 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.983 -0.210 18096 3743 1 6 . 1 1 8 8 LEU H H 8 8.222 8.222 7.811 0.411 18096 3744 1 6 . 1 1 9 9 PHE N N 9 118.625 118.625 119.929 -1.304 18096 3745 1 6 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.207 -0.035 18096 3746 1 6 . 1 1 9 9 PHE C C 9 177.620 177.620 176.344 1.276 18096 3747 1 6 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.427 0.645 18096 3748 1 6 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.026 -0.188 18096 3749 1 6 . 1 1 9 9 PHE H H 9 8.071 8.071 7.786 0.285 18096 3750 1 6 . 1 1 10 10 TYR N N 10 117.829 117.829 119.270 -1.441 18096 3751 1 6 . 1 1 10 10 TYR HA H 10 4.190 4.190 3.888 0.302 18096 3752 1 6 . 1 1 10 10 TYR C C 10 177.743 177.743 177.172 0.571 18096 3753 1 6 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.911 -0.702 18096 3754 1 6 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.841 -0.126 18096 3755 1 6 . 1 1 10 10 TYR H H 10 8.204 8.204 7.621 0.583 18096 3756 1 6 . 1 1 11 11 THR N N 11 115.545 115.545 114.702 0.843 18096 3757 1 6 . 1 1 11 11 THR HA H 11 3.875 3.875 3.873 0.002 18096 3758 1 6 . 1 1 11 11 THR C C 11 175.937 175.937 176.769 -0.832 18096 3759 1 6 . 1 1 11 11 THR CA C 11 67.187 67.187 65.625 1.562 18096 3760 1 6 . 1 1 11 11 THR CB C 11 68.579 68.579 68.412 0.167 18096 3761 1 6 . 1 1 11 11 THR H H 11 7.934 7.934 8.001 -0.067 18096 3762 1 6 . 1 1 12 12 ILE N N 12 120.096 120.096 120.112 -0.016 18096 3763 1 6 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.676 0.006 18096 3764 1 6 . 1 1 12 12 ILE C C 12 175.863 175.863 177.764 -1.901 18096 3765 1 6 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.929 -0.108 18096 3766 1 6 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.184 0.772 18096 3767 1 6 . 1 1 12 12 ILE H H 12 8.172 8.172 7.959 0.213 18096 3768 1 6 . 1 1 13 13 ASN N N 13 114.444 114.444 117.024 -2.580 18096 3769 1 6 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.422 -0.029 18096 3770 1 6 . 1 1 13 13 ASN C C 13 174.880 174.880 176.345 -1.465 18096 3771 1 6 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.414 -0.158 18096 3772 1 6 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.087 1.459 18096 3773 1 6 . 1 1 13 13 ASN H H 13 7.731 7.731 7.466 0.265 18096 3774 1 6 . 1 1 14 14 LEU N N 14 115.306 115.306 118.602 -3.296 18096 3775 1 6 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.949 0.397 18096 3776 1 6 . 1 1 14 14 LEU C C 14 177.427 177.427 177.324 0.103 18096 3777 1 6 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.184 0.186 18096 3778 1 6 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.356 -0.590 18096 3779 1 6 . 1 1 14 14 LEU H H 14 7.381 7.381 7.265 0.116 18096 3780 1 6 . 1 1 15 15 ILE N N 15 117.935 117.935 119.641 -1.706 18096 3781 1 6 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.576 0.022 18096 3782 1 6 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.552 0.900 18096 3783 1 6 . 1 1 15 15 ILE CB C 15 37.681 37.681 37.974 -0.293 18096 3784 1 6 . 1 1 15 15 ILE H H 15 8.135 8.135 7.339 0.796 18096 3785 1 6 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.353 -0.307 18096 3786 1 6 . 1 1 17 17 PRO C C 17 177.518 177.518 178.994 -1.476 18096 3787 1 6 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.561 1.085 18096 3788 1 6 . 1 1 17 17 PRO CB C 17 30.966 30.966 31.004 -0.038 18096 3789 1 6 . 1 1 18 18 CYS N N 18 113.411 113.411 118.217 -4.806 18096 3790 1 6 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.038 -0.087 18096 3791 1 6 . 1 1 18 18 CYS C C 18 177.617 177.617 177.173 0.444 18096 3792 1 6 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.761 0.727 18096 3793 1 6 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.063 -0.295 18096 3794 1 6 . 1 1 18 18 CYS H H 18 7.338 7.338 7.422 -0.084 18096 3795 1 6 . 1 1 19 19 VAL N N 19 121.720 121.720 118.017 3.703 18096 3796 1 6 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.748 -0.227 18096 3797 1 6 . 1 1 19 19 VAL C C 19 178.069 178.069 178.287 -0.218 18096 3798 1 6 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.938 1.127 18096 3799 1 6 . 1 1 19 19 VAL CB C 19 31.752 31.752 30.828 0.924 18096 3800 1 6 . 1 1 19 19 VAL H H 19 8.587 8.587 7.734 0.853 18096 3801 1 6 . 1 1 20 20 LEU N N 20 121.731 121.731 122.291 -0.560 18096 3802 1 6 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.962 0.059 18096 3803 1 6 . 1 1 20 20 LEU C C 20 177.989 177.989 178.759 -0.770 18096 3804 1 6 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.320 0.329 18096 3805 1 6 . 1 1 20 20 LEU CB C 20 41.934 41.934 42.008 -0.074 18096 3806 1 6 . 1 1 20 20 LEU H H 20 8.344 8.344 7.296 1.048 18096 3807 1 6 . 1 1 21 21 ILE N N 21 117.403 117.403 118.600 -1.197 18096 3808 1 6 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.629 0.040 18096 3809 1 6 . 1 1 21 21 ILE C C 21 176.947 176.947 177.748 -0.801 18096 3810 1 6 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.687 -0.331 18096 3811 1 6 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.975 -0.057 18096 3812 1 6 . 1 1 21 21 ILE H H 21 8.371 8.371 8.570 -0.199 18096 3813 1 6 . 1 1 22 22 THR N N 22 115.544 115.544 115.247 0.297 18096 3814 1 6 . 1 1 22 22 THR HA H 22 3.681 3.681 3.920 -0.239 18096 3815 1 6 . 1 1 22 22 THR C C 22 176.073 176.073 176.663 -0.590 18096 3816 1 6 . 1 1 22 22 THR CA C 22 68.152 68.152 67.542 0.610 18096 3817 1 6 . 1 1 22 22 THR CB C 22 68.428 68.428 68.422 0.006 18096 3818 1 6 . 1 1 22 22 THR H H 22 7.829 7.829 7.727 0.102 18096 3819 1 6 . 1 1 23 23 SER N N 23 116.192 116.192 117.976 -1.784 18096 3820 1 6 . 1 1 23 23 SER HA H 23 4.023 4.023 4.054 -0.031 18096 3821 1 6 . 1 1 23 23 SER C C 23 175.279 175.279 176.461 -1.182 18096 3822 1 6 . 1 1 23 23 SER CA C 23 63.884 63.884 61.749 2.135 18096 3823 1 6 . 1 1 23 23 SER CB C 23 62.971 62.971 63.102 -0.132 18096 3824 1 6 . 1 1 23 23 SER H H 23 8.069 8.069 7.869 0.200 18096 3825 1 6 . 1 1 24 24 LEU N N 24 120.855 120.855 123.204 -2.349 18096 3826 1 6 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.002 -0.021 18096 3827 1 6 . 1 1 24 24 LEU C C 24 177.542 177.542 178.397 -0.855 18096 3828 1 6 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.179 -0.144 18096 3829 1 6 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.832 0.109 18096 3830 1 6 . 1 1 24 24 LEU H H 24 7.858 7.858 7.600 0.258 18096 3831 1 6 . 1 1 25 25 ALA N N 25 119.507 119.507 121.262 -1.755 18096 3832 1 6 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.120 -0.180 18096 3833 1 6 . 1 1 25 25 ALA C C 25 177.915 177.915 180.138 -2.223 18096 3834 1 6 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.067 0.545 18096 3835 1 6 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.249 0.002 18096 3836 1 6 . 1 1 25 25 ALA H H 25 8.141 8.141 7.734 0.407 18096 3837 1 6 . 1 1 26 26 ILE N N 26 115.689 115.689 119.485 -3.796 18096 3838 1 6 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.914 -0.116 18096 3839 1 6 . 1 1 26 26 ILE C C 26 177.729 177.729 177.971 -0.242 18096 3840 1 6 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.287 0.053 18096 3841 1 6 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.280 -0.450 18096 3842 1 6 . 1 1 26 26 ILE H H 26 8.012 8.012 7.744 0.268 18096 3843 1 6 . 1 1 27 27 LEU N N 27 118.567 118.567 120.981 -2.414 18096 3844 1 6 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.011 -0.005 18096 3845 1 6 . 1 1 27 27 LEU C C 27 178.364 178.364 179.195 -0.831 18096 3846 1 6 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.798 -0.061 18096 3847 1 6 . 1 1 27 27 LEU CB C 27 41.837 41.837 42.062 -0.225 18096 3848 1 6 . 1 1 27 27 LEU H H 27 8.045 8.045 8.492 -0.447 18096 3849 1 6 . 1 1 28 28 VAL N N 28 113.720 113.720 118.283 -4.563 18096 3850 1 6 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.690 -0.115 18096 3851 1 6 . 1 1 28 28 VAL C C 28 177.809 177.809 177.881 -0.072 18096 3852 1 6 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.284 -0.271 18096 3853 1 6 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.880 0.170 18096 3854 1 6 . 1 1 28 28 VAL H H 28 8.008 8.008 8.003 0.005 18096 3855 1 6 . 1 1 29 29 PHE N N 29 115.458 115.458 118.626 -3.168 18096 3856 1 6 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.142 0.067 18096 3857 1 6 . 1 1 29 29 PHE C C 29 176.366 176.366 176.636 -0.270 18096 3858 1 6 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.481 -0.623 18096 3859 1 6 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.179 0.418 18096 3860 1 6 . 1 1 29 29 PHE H H 29 7.915 7.915 7.592 0.323 18096 3861 1 6 . 1 1 30 30 TYR N N 30 115.649 115.649 115.399 0.250 18096 3862 1 6 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.517 -0.276 18096 3863 1 6 . 1 1 30 30 TYR C C 30 175.388 175.388 175.829 -0.441 18096 3864 1 6 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.644 -1.258 18096 3865 1 6 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.547 0.093 18096 3866 1 6 . 1 1 30 30 TYR H H 30 8.002 8.002 7.770 0.232 18096 3867 1 6 . 1 1 31 31 LEU N N 31 121.144 121.144 119.711 1.433 18096 3868 1 6 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.760 -0.312 18096 3869 1 6 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.678 1.471 18096 3870 1 6 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.664 -1.328 18096 3871 1 6 . 1 1 31 31 LEU H H 31 7.514 7.514 7.588 -0.074 18096 3872 1 6 . 1 1 32 32 PRO C C 32 176.530 176.530 176.282 0.248 18096 3873 1 6 . 1 1 33 33 SER N N 33 115.448 115.448 113.097 2.351 18096 3874 1 6 . 1 1 33 33 SER HA H 33 4.317 4.317 4.648 -0.331 18096 3875 1 6 . 1 1 33 33 SER C C 33 174.174 174.174 174.824 -0.650 18096 3876 1 6 . 1 1 33 33 SER CA C 33 59.954 59.954 57.110 2.844 18096 3877 1 6 . 1 1 33 33 SER H H 33 8.370 8.370 8.031 0.339 18096 3878 1 6 . 1 1 34 34 ASP N N 34 119.694 119.694 122.511 -2.817 18096 3879 1 6 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.783 -0.198 18096 3880 1 6 . 1 1 34 34 ASP C C 34 175.971 175.971 176.573 -0.602 18096 3881 1 6 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.522 -1.080 18096 3882 1 6 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.950 0.290 18096 3883 1 6 . 1 1 34 34 ASP H H 34 8.209 8.209 8.815 -0.606 18096 3884 1 6 . 1 1 35 35 CYS N N 35 114.872 114.872 118.093 -3.221 18096 3885 1 6 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.423 -0.220 18096 3886 1 6 . 1 1 35 35 CYS C C 35 175.147 175.147 175.379 -0.232 18096 3887 1 6 . 1 1 35 35 CYS CA C 35 61.121 61.121 60.137 0.984 18096 3888 1 6 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.549 -0.663 18096 3889 1 6 . 1 1 35 35 CYS H H 35 7.750 7.750 7.969 -0.219 18096 3890 1 6 . 1 1 36 36 GLY N N 36 110.059 110.059 110.288 -0.229 18096 3891 1 6 . 1 1 36 36 GLY C C 36 174.391 174.391 174.876 -0.485 18096 3892 1 6 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.374 0.913 18096 3893 1 6 . 1 1 36 36 GLY H H 36 8.357 8.357 7.612 0.745 18096 3894 1 6 . 1 1 37 37 GLU N N 37 121.785 121.785 119.507 2.278 18096 3895 1 6 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.919 0.147 18096 3896 1 6 . 1 1 37 37 GLU C C 37 176.536 176.536 177.971 -1.435 18096 3897 1 6 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.494 -0.968 18096 3898 1 6 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.701 0.029 18096 3899 1 6 . 1 1 37 37 GLU H H 37 8.359 8.359 7.892 0.467 18096 3900 1 6 . 1 1 38 38 LYS N N 38 123.927 123.927 118.635 5.292 18096 3901 1 6 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.095 0.028 18096 3902 1 6 . 1 1 38 38 LYS C C 38 177.544 177.544 178.559 -1.015 18096 3903 1 6 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.736 -0.168 18096 3904 1 6 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.881 -0.204 18096 3905 1 6 . 1 1 38 38 LYS H H 38 8.226 8.226 8.220 0.006 18096 3906 1 6 . 1 1 39 39 MET N N 39 117.932 117.932 118.940 -1.008 18096 3907 1 6 . 1 1 39 39 MET HA H 39 4.135 4.135 4.132 0.003 18096 3908 1 6 . 1 1 39 39 MET C C 39 178.602 178.602 177.972 0.630 18096 3909 1 6 . 1 1 39 39 MET CA C 39 58.851 58.851 59.465 -0.614 18096 3910 1 6 . 1 1 39 39 MET CB C 39 32.220 32.220 32.490 -0.270 18096 3911 1 6 . 1 1 39 39 MET H H 39 8.262 8.262 7.408 0.854 18096 3912 1 6 . 1 1 40 40 THR N N 40 117.201 117.201 114.930 2.271 18096 3913 1 6 . 1 1 40 40 THR HA H 40 3.673 3.673 3.981 -0.308 18096 3914 1 6 . 1 1 40 40 THR C C 40 175.927 175.927 176.959 -1.032 18096 3915 1 6 . 1 1 40 40 THR CA C 40 67.352 67.352 65.681 1.671 18096 3916 1 6 . 1 1 40 40 THR H H 40 8.341 8.341 7.604 0.737 18096 3917 1 6 . 1 1 41 41 LEU N N 41 120.040 120.040 122.199 -2.159 18096 3918 1 6 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.155 -0.103 18096 3919 1 6 . 1 1 41 41 LEU C C 41 177.809 177.809 178.164 -0.355 18096 3920 1 6 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.704 0.683 18096 3921 1 6 . 1 1 41 41 LEU H H 41 8.181 8.181 7.589 0.592 18096 3922 1 6 . 1 1 42 42 CYS N N 42 117.556 117.556 119.100 -1.544 18096 3923 1 6 . 1 1 42 42 CYS HA H 42 3.952 3.952 3.966 -0.014 18096 3924 1 6 . 1 1 42 42 CYS C C 42 176.460 176.460 177.119 -0.659 18096 3925 1 6 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.441 1.054 18096 3926 1 6 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.316 -0.483 18096 3927 1 6 . 1 1 42 42 CYS H H 42 7.949 7.949 7.883 0.066 18096 3928 1 6 . 1 1 43 43 ILE N N 43 117.336 117.336 120.039 -2.703 18096 3929 1 6 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.666 -0.037 18096 3930 1 6 . 1 1 43 43 ILE C C 43 177.256 177.256 177.760 -0.504 18096 3931 1 6 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.365 -0.290 18096 3932 1 6 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.753 0.191 18096 3933 1 6 . 1 1 43 43 ILE H H 43 8.347 8.347 7.675 0.672 18096 3934 1 6 . 1 1 44 44 SER N N 44 116.243 116.243 116.188 0.055 18096 3935 1 6 . 1 1 44 44 SER HA H 44 4.083 4.083 4.248 -0.165 18096 3936 1 6 . 1 1 44 44 SER C C 44 176.305 176.305 176.383 -0.078 18096 3937 1 6 . 1 1 44 44 SER CA C 44 63.348 63.348 62.332 1.016 18096 3938 1 6 . 1 1 44 44 SER CB C 44 62.954 62.954 62.705 0.249 18096 3939 1 6 . 1 1 44 44 SER H H 44 8.064 8.064 7.359 0.705 18096 3940 1 6 . 1 1 45 45 VAL N N 45 120.333 120.333 122.490 -2.157 18096 3941 1 6 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.623 -0.107 18096 3942 1 6 . 1 1 45 45 VAL C C 45 177.247 177.247 177.604 -0.357 18096 3943 1 6 . 1 1 45 45 VAL CA C 45 66.938 66.938 67.076 -0.137 18096 3944 1 6 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.754 0.006 18096 3945 1 6 . 1 1 45 45 VAL H H 45 8.036 8.036 8.574 -0.538 18096 3946 1 6 . 1 1 46 46 LEU N N 46 119.430 119.430 119.897 -0.467 18096 3947 1 6 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.010 -0.062 18096 3948 1 6 . 1 1 46 46 LEU C C 46 180.032 180.032 178.708 1.324 18096 3949 1 6 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.068 0.458 18096 3950 1 6 . 1 1 46 46 LEU CB C 46 41.985 41.985 42.024 -0.039 18096 3951 1 6 . 1 1 46 46 LEU H H 46 7.959 7.959 7.600 0.359 18096 3952 1 6 . 1 1 47 47 LEU N N 47 121.110 121.110 120.091 1.019 18096 3953 1 6 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.875 0.123 18096 3954 1 6 . 1 1 47 47 LEU C C 47 177.985 177.985 178.408 -0.423 18096 3955 1 6 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.197 0.242 18096 3956 1 6 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.797 0.249 18096 3957 1 6 . 1 1 47 47 LEU H H 47 8.695 8.695 7.523 1.172 18096 3958 1 6 . 1 1 48 48 ALA N N 48 121.251 121.251 122.125 -0.874 18096 3959 1 6 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.019 -0.174 18096 3960 1 6 . 1 1 48 48 ALA C C 48 178.834 178.834 179.808 -0.974 18096 3961 1 6 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.393 0.316 18096 3962 1 6 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.223 -0.090 18096 3963 1 6 . 1 1 48 48 ALA H H 48 8.272 8.272 8.443 -0.171 18096 3964 1 6 . 1 1 49 49 LEU N N 49 116.290 116.290 118.113 -1.823 18096 3965 1 6 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.188 -0.191 18096 3966 1 6 . 1 1 49 49 LEU C C 49 178.068 178.068 179.437 -1.369 18096 3967 1 6 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.841 0.467 18096 3968 1 6 . 1 1 49 49 LEU CB C 49 41.946 41.946 40.974 0.973 18096 3969 1 6 . 1 1 49 49 LEU H H 49 8.526 8.526 8.012 0.514 18096 3970 1 6 . 1 1 50 50 THR N N 50 115.495 115.495 116.396 -0.901 18096 3971 1 6 . 1 1 50 50 THR HA H 50 3.692 3.692 4.013 -0.321 18096 3972 1 6 . 1 1 50 50 THR C C 50 176.061 176.061 176.734 -0.673 18096 3973 1 6 . 1 1 50 50 THR CA C 50 68.786 68.786 67.415 1.371 18096 3974 1 6 . 1 1 50 50 THR H H 50 7.996 7.996 8.052 -0.056 18096 3975 1 6 . 1 1 51 51 VAL N N 51 119.977 119.977 121.850 -1.873 18096 3976 1 6 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.649 -0.153 18096 3977 1 6 . 1 1 51 51 VAL C C 51 177.063 177.063 177.928 -0.865 18096 3978 1 6 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.375 0.988 18096 3979 1 6 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.024 0.594 18096 3980 1 6 . 1 1 51 51 VAL H H 51 8.145 8.145 8.450 -0.305 18096 3981 1 6 . 1 1 52 52 PHE N N 52 118.836 118.836 118.147 0.689 18096 3982 1 6 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.215 -0.113 18096 3983 1 6 . 1 1 52 52 PHE C C 52 176.721 176.721 177.871 -1.150 18096 3984 1 6 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.400 -0.761 18096 3985 1 6 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.595 0.734 18096 3986 1 6 . 1 1 52 52 PHE H H 52 8.354 8.354 7.657 0.697 18096 3987 1 6 . 1 1 53 53 LEU N N 53 117.271 117.271 120.572 -3.301 18096 3988 1 6 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.018 -0.146 18096 3989 1 6 . 1 1 53 53 LEU C C 53 179.184 179.184 178.779 0.405 18096 3990 1 6 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.239 -0.382 18096 3991 1 6 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.930 0.065 18096 3992 1 6 . 1 1 53 53 LEU H H 53 8.438 8.438 8.337 0.101 18096 3993 1 6 . 1 1 54 54 LEU N N 54 119.310 119.310 119.419 -0.109 18096 3994 1 6 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.064 -0.057 18096 3995 1 6 . 1 1 54 54 LEU C C 54 179.224 179.224 178.802 0.422 18096 3996 1 6 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.891 0.197 18096 3997 1 6 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.554 0.475 18096 3998 1 6 . 1 1 54 54 LEU H H 54 8.147 8.147 7.849 0.298 18096 3999 1 6 . 1 1 55 55 LEU N N 55 118.400 118.400 120.777 -2.377 18096 4000 1 6 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.865 0.235 18096 4001 1 6 . 1 1 55 55 LEU C C 55 178.974 178.974 179.062 -0.088 18096 4002 1 6 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.737 -0.876 18096 4003 1 6 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.027 -0.055 18096 4004 1 6 . 1 1 55 55 LEU H H 55 8.096 8.096 7.475 0.621 18096 4005 1 6 . 1 1 56 56 ILE N N 56 115.919 115.919 117.743 -1.824 18096 4006 1 6 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.602 0.254 18096 4007 1 6 . 1 1 56 56 ILE C C 56 176.763 176.763 178.148 -1.385 18096 4008 1 6 . 1 1 56 56 ILE CA C 56 63.511 63.511 65.044 -1.534 18096 4009 1 6 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.730 -0.041 18096 4010 1 6 . 1 1 56 56 ILE H H 56 8.028 8.028 7.900 0.128 18096 4011 1 6 . 1 1 57 57 SER N N 57 114.862 114.862 114.275 0.587 18096 4012 1 6 . 1 1 57 57 SER HA H 57 4.178 4.178 4.213 -0.035 18096 4013 1 6 . 1 1 57 57 SER C C 57 175.258 175.258 175.777 -0.519 18096 4014 1 6 . 1 1 57 57 SER CA C 57 60.946 60.946 61.054 -0.108 18096 4015 1 6 . 1 1 57 57 SER CB C 57 63.558 63.558 63.303 0.255 18096 4016 1 6 . 1 1 57 57 SER H H 57 7.689 7.689 7.638 0.051 18096 4017 1 6 . 1 1 58 58 LYS N N 58 118.080 118.080 120.854 -2.774 18096 4018 1 6 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.187 0.100 18096 4019 1 6 . 1 1 58 58 LYS C C 58 176.668 176.668 176.720 -0.052 18096 4020 1 6 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.348 -1.241 18096 4021 1 6 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.193 -1.129 18096 4022 1 6 . 1 1 58 58 LYS H H 58 7.595 7.595 7.496 0.099 18096 4023 1 6 . 1 1 59 59 ILE N N 59 116.926 116.926 117.733 -0.807 18096 4024 1 6 . 1 1 59 59 ILE HA H 59 4.034 4.034 3.851 0.183 18096 4025 1 6 . 1 1 59 59 ILE C C 59 175.226 175.226 174.914 0.312 18096 4026 1 6 . 1 1 59 59 ILE CA C 59 62.384 62.384 61.919 0.465 18096 4027 1 6 . 1 1 59 59 ILE CB C 59 38.073 38.073 37.446 0.627 18096 4028 1 6 . 1 1 59 59 ILE H H 59 7.706 7.706 7.488 0.218 18096 4029 1 6 . 1 1 60 60 VAL N N 60 119.235 119.235 122.678 -3.443 18096 4030 1 6 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.578 -0.252 18096 4031 1 6 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.131 0.616 18096 4032 1 6 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.961 0.305 18096 4033 1 6 . 1 1 60 60 VAL H H 60 7.586 7.586 7.895 -0.309 18096 4034 1 6 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.674 -0.030 18096 4035 1 6 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.727 -0.206 18096 4036 1 6 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.308 -0.172 18096 4037 1 6 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.422 0.069 18096 4038 1 6 . 1 1 62 62 PRO C C 62 176.912 176.912 177.186 -0.274 18096 4039 1 6 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.474 -1.231 18096 4040 1 6 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.138 -0.260 18096 4041 1 6 . 1 1 63 63 THR N N 63 111.607 111.607 110.039 1.568 18096 4042 1 6 . 1 1 63 63 THR HA H 63 4.447 4.447 4.350 0.097 18096 4043 1 6 . 1 1 63 63 THR C C 63 174.725 174.725 173.467 1.258 18096 4044 1 6 . 1 1 63 63 THR CA C 63 61.245 61.245 62.809 -1.565 18096 4045 1 6 . 1 1 63 63 THR CB C 63 69.807 69.807 68.821 0.986 18096 4046 1 6 . 1 1 63 63 THR H H 63 7.915 7.915 7.823 0.092 18096 4047 1 6 . 1 1 64 64 SER N N 64 116.516 116.516 118.336 -1.820 18096 4048 1 6 . 1 1 64 64 SER HA H 64 4.411 4.411 4.676 -0.265 18096 4049 1 6 . 1 1 64 64 SER C C 64 174.580 174.580 173.634 0.946 18096 4050 1 6 . 1 1 64 64 SER CA C 64 58.608 58.608 58.104 0.504 18096 4051 1 6 . 1 1 64 64 SER CB C 64 63.742 63.742 64.636 -0.894 18096 4052 1 6 . 1 1 64 64 SER H H 64 8.127 8.127 8.154 -0.027 18096 4053 1 6 . 1 1 65 65 SER N N 65 116.921 116.921 119.517 -2.596 18096 4054 1 6 . 1 1 65 65 SER HA H 65 4.453 4.453 4.703 -0.250 18096 4055 1 6 . 1 1 65 65 SER C C 65 174.100 174.100 173.856 0.244 18096 4056 1 6 . 1 1 65 65 SER CA C 65 58.584 58.584 58.074 0.510 18096 4057 1 6 . 1 1 65 65 SER CB C 65 63.668 63.668 64.418 -0.750 18096 4058 1 6 . 1 1 65 65 SER H H 65 8.169 8.169 8.385 -0.216 18096 4059 1 6 . 1 1 66 66 ASP N N 66 120.478 120.478 120.279 0.199 18096 4060 1 6 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.724 -0.100 18096 4061 1 6 . 1 1 66 66 ASP C C 66 175.730 175.730 175.001 0.729 18096 4062 1 6 . 1 1 66 66 ASP CA C 66 54.245 54.245 55.168 -0.923 18096 4063 1 6 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.184 0.012 18096 4064 1 6 . 1 1 66 66 ASP H H 66 8.154 8.154 8.732 -0.578 18096 4065 1 6 . 1 1 67 67 SER N N 67 115.159 115.159 116.248 -1.089 18096 4066 1 6 . 1 1 67 67 SER HA H 67 4.528 4.528 4.846 -0.318 18096 4067 1 6 . 1 1 67 67 SER CA C 67 56.493 56.493 57.078 -0.585 18096 4068 1 6 . 1 1 67 67 SER CB C 67 63.604 63.604 64.284 -0.680 18096 4069 1 6 . 1 1 67 67 SER H H 67 7.930 7.930 8.201 -0.271 18096 4070 1 6 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.613 -0.218 18096 4071 1 6 . 1 1 68 68 PRO C C 68 176.652 176.652 176.482 0.170 18096 4072 1 6 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.889 0.704 18096 4073 1 6 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.545 -1.193 18096 4074 1 6 . 1 1 69 69 SER N N 69 115.859 115.859 116.710 -0.851 18096 4075 1 6 . 1 1 69 69 SER HA H 69 4.436 4.436 4.514 -0.078 18096 4076 1 6 . 1 1 69 69 SER C C 69 174.611 174.611 175.933 -1.322 18096 4077 1 6 . 1 1 69 69 SER CA C 69 58.264 58.264 58.045 0.219 18096 4078 1 6 . 1 1 69 69 SER CB C 69 63.919 63.919 63.626 0.293 18096 4079 1 6 . 1 1 69 69 SER H H 69 8.256 8.256 8.519 -0.263 18096 4080 1 6 . 1 1 70 70 VAL N N 70 117.241 117.241 119.414 -2.173 18096 4081 1 6 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.131 -0.329 18096 4082 1 6 . 1 1 70 70 VAL C C 70 177.772 177.772 177.592 0.180 18096 4083 1 6 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.220 1.424 18096 4084 1 6 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.349 0.547 18096 4085 1 6 . 1 1 70 70 VAL H H 70 8.211 8.211 8.058 0.153 18096 4086 1 6 . 1 1 71 71 GLY N N 71 106.999 106.999 106.663 0.336 18096 4087 1 6 . 1 1 71 71 GLY C C 71 175.551 175.551 175.811 -0.260 18096 4088 1 6 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.635 0.610 18096 4089 1 6 . 1 1 71 71 GLY H H 71 8.566 8.566 8.522 0.044 18096 4090 1 6 . 1 1 72 72 GLU N N 72 121.376 121.376 123.336 -1.960 18096 4091 1 6 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.620 0.269 18096 4092 1 6 . 1 1 72 72 GLU C C 72 178.495 178.495 178.293 0.202 18096 4093 1 6 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.245 0.873 18096 4094 1 6 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.336 0.254 18096 4095 1 6 . 1 1 72 72 GLU H H 72 7.919 7.919 7.471 0.448 18096 4096 1 6 . 1 1 73 73 TYR N N 73 117.643 117.643 117.630 0.013 18096 4097 1 6 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.225 -0.163 18096 4098 1 6 . 1 1 73 73 TYR C C 73 179.921 179.921 178.308 1.613 18096 4099 1 6 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.343 0.787 18096 4100 1 6 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.919 0.999 18096 4101 1 6 . 1 1 73 73 TYR H H 73 8.095 8.095 7.155 0.940 18096 4102 1 6 . 1 1 74 74 LEU N N 74 121.712 121.712 120.132 1.580 18096 4103 1 6 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.975 0.088 18096 4104 1 6 . 1 1 74 74 LEU C C 74 178.385 178.385 178.544 -0.159 18096 4105 1 6 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.089 1.385 18096 4106 1 6 . 1 1 74 74 LEU CB C 74 41.938 41.938 40.912 1.026 18096 4107 1 6 . 1 1 74 74 LEU H H 74 8.615 8.615 7.683 0.932 18096 4108 1 6 . 1 1 75 75 MET N N 75 119.087 119.087 119.558 -0.471 18096 4109 1 6 . 1 1 75 75 MET HA H 75 4.056 4.056 3.905 0.151 18096 4110 1 6 . 1 1 75 75 MET C C 75 177.851 177.851 178.461 -0.610 18096 4111 1 6 . 1 1 75 75 MET CA C 75 59.166 59.166 59.660 -0.494 18096 4112 1 6 . 1 1 75 75 MET CB C 75 32.093 32.093 32.232 -0.139 18096 4113 1 6 . 1 1 75 75 MET H H 75 8.362 8.362 7.561 0.801 18096 4114 1 6 . 1 1 76 76 PHE N N 76 117.788 117.788 115.741 2.047 18096 4115 1 6 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.307 -0.202 18096 4116 1 6 . 1 1 76 76 PHE C C 76 177.305 177.305 177.932 -0.627 18096 4117 1 6 . 1 1 76 76 PHE CA C 76 61.376 61.376 59.691 1.685 18096 4118 1 6 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.521 1.440 18096 4119 1 6 . 1 1 76 76 PHE H H 76 8.471 8.471 7.520 0.951 18096 4120 1 6 . 1 1 77 77 THR N N 77 115.298 115.298 117.405 -2.107 18096 4121 1 6 . 1 1 77 77 THR HA H 77 3.673 3.673 4.142 -0.469 18096 4122 1 6 . 1 1 77 77 THR C C 77 176.057 176.057 176.748 -0.691 18096 4123 1 6 . 1 1 77 77 THR CA C 77 68.423 68.423 66.824 1.599 18096 4124 1 6 . 1 1 77 77 THR CB C 77 68.204 68.204 68.675 -0.471 18096 4125 1 6 . 1 1 77 77 THR H H 77 8.179 8.179 8.210 -0.031 18096 4126 1 6 . 1 1 78 78 MET N N 78 119.204 119.204 120.704 -1.500 18096 4127 1 6 . 1 1 78 78 MET HA H 78 4.092 4.092 4.189 -0.097 18096 4128 1 6 . 1 1 78 78 MET C C 78 179.421 179.421 178.561 0.860 18096 4129 1 6 . 1 1 78 78 MET CA C 78 58.810 58.810 58.664 0.145 18096 4130 1 6 . 1 1 78 78 MET CB C 78 32.176 32.176 32.057 0.119 18096 4131 1 6 . 1 1 78 78 MET H H 78 8.310 8.310 8.519 -0.209 18096 4132 1 6 . 1 1 79 79 VAL N N 79 122.115 122.115 119.905 2.210 18096 4133 1 6 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.685 -0.193 18096 4134 1 6 . 1 1 79 79 VAL C C 79 176.866 176.866 178.075 -1.209 18096 4135 1 6 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.537 0.837 18096 4136 1 6 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.748 -0.133 18096 4137 1 6 . 1 1 79 79 VAL H H 79 8.239 8.239 7.606 0.633 18096 4138 1 6 . 1 1 80 80 LEU N N 80 120.240 120.240 120.218 0.022 18096 4139 1 6 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.050 -0.111 18096 4140 1 6 . 1 1 80 80 LEU C C 80 180.078 180.078 179.107 0.971 18096 4141 1 6 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.334 0.264 18096 4142 1 6 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.956 -0.015 18096 4143 1 6 . 1 1 80 80 LEU H H 80 8.058 8.058 7.587 0.471 18096 4144 1 6 . 1 1 81 81 VAL N N 81 120.008 120.008 118.987 1.021 18096 4145 1 6 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.776 -0.318 18096 4146 1 6 . 1 1 81 81 VAL C C 81 177.670 177.670 178.455 -0.785 18096 4147 1 6 . 1 1 81 81 VAL CA C 81 67.337 67.337 66.658 0.679 18096 4148 1 6 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.456 0.159 18096 4149 1 6 . 1 1 81 81 VAL H H 81 8.800 8.800 8.672 0.128 18096 4150 1 6 . 1 1 82 82 THR N N 82 116.872 116.872 117.156 -0.284 18096 4151 1 6 . 1 1 82 82 THR HA H 82 3.676 3.676 4.000 -0.324 18096 4152 1 6 . 1 1 82 82 THR C C 82 176.268 176.268 176.463 -0.195 18096 4153 1 6 . 1 1 82 82 THR CA C 82 68.590 68.590 67.408 1.182 18096 4154 1 6 . 1 1 82 82 THR CB C 82 68.468 68.468 68.685 -0.217 18096 4155 1 6 . 1 1 82 82 THR H H 82 8.109 8.109 8.095 0.014 18096 4156 1 6 . 1 1 83 83 PHE N N 83 119.777 119.777 121.233 -1.456 18096 4157 1 6 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.131 -0.050 18096 4158 1 6 . 1 1 83 83 PHE C C 83 178.015 178.015 177.278 0.737 18096 4159 1 6 . 1 1 83 83 PHE CA C 83 61.612 61.612 62.045 -0.433 18096 4160 1 6 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.956 -0.270 18096 4161 1 6 . 1 1 83 83 PHE H H 83 8.754 8.754 7.901 0.853 18096 4162 1 6 . 1 1 84 84 SER N N 84 117.769 117.769 115.183 2.586 18096 4163 1 6 . 1 1 84 84 SER HA H 84 4.091 4.091 4.166 -0.075 18096 4164 1 6 . 1 1 84 84 SER C C 84 175.899 175.899 176.956 -1.057 18096 4165 1 6 . 1 1 84 84 SER CA C 84 63.269 63.269 61.553 1.716 18096 4166 1 6 . 1 1 84 84 SER CB C 84 62.962 62.962 63.134 -0.172 18096 4167 1 6 . 1 1 84 84 SER H H 84 8.335 8.335 7.738 0.597 18096 4168 1 6 . 1 1 85 85 ILE N N 85 122.986 122.986 122.859 0.127 18096 4169 1 6 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.755 -0.106 18096 4170 1 6 . 1 1 85 85 ILE C C 85 177.778 177.778 178.091 -0.313 18096 4171 1 6 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.799 1.705 18096 4172 1 6 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.740 1.375 18096 4173 1 6 . 1 1 85 85 ILE H H 85 8.187 8.187 8.244 -0.057 18096 4174 1 6 . 1 1 86 86 VAL N N 86 117.289 117.289 120.024 -2.735 18096 4175 1 6 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.432 0.077 18096 4176 1 6 . 1 1 86 86 VAL C C 86 177.816 177.816 177.828 -0.012 18096 4177 1 6 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.466 -0.419 18096 4178 1 6 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.559 0.038 18096 4179 1 6 . 1 1 86 86 VAL H H 86 8.367 8.367 8.553 -0.186 18096 4180 1 6 . 1 1 87 87 THR N N 87 116.788 116.788 114.747 2.041 18096 4181 1 6 . 1 1 87 87 THR HA H 87 3.758 3.758 3.803 -0.045 18096 4182 1 6 . 1 1 87 87 THR C C 87 176.095 176.095 177.001 -0.906 18096 4183 1 6 . 1 1 87 87 THR CA C 87 67.248 67.248 66.490 0.757 18096 4184 1 6 . 1 1 87 87 THR H H 87 8.007 8.007 7.636 0.371 18096 4185 1 6 . 1 1 88 88 SER N N 88 116.157 116.157 117.466 -1.309 18096 4186 1 6 . 1 1 88 88 SER HA H 88 4.018 4.018 4.248 -0.230 18096 4187 1 6 . 1 1 88 88 SER C C 88 174.932 174.932 176.393 -1.461 18096 4188 1 6 . 1 1 88 88 SER CA C 88 62.717 62.717 61.709 1.008 18096 4189 1 6 . 1 1 88 88 SER CB C 88 62.954 62.954 63.087 -0.133 18096 4190 1 6 . 1 1 88 88 SER H H 88 7.662 7.662 7.552 0.110 18096 4191 1 6 . 1 1 89 89 VAL N N 89 117.956 117.956 121.395 -3.439 18096 4192 1 6 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.752 -0.236 18096 4193 1 6 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.951 1.315 18096 4194 1 6 . 1 1 89 89 VAL H H 89 8.274 8.274 7.752 0.522 18096 4195 1 6 . 1 1 90 90 CYS N N 90 116.319 116.319 118.319 -2.000 18096 4196 1 6 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.020 0.209 18096 4197 1 6 . 1 1 90 90 CYS C C 90 175.174 175.174 176.085 -0.911 18096 4198 1 6 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.563 0.055 18096 4199 1 6 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.629 -0.838 18096 4200 1 6 . 1 1 90 90 CYS H H 90 7.654 7.654 7.918 -0.264 18096 4201 1 6 . 1 1 91 91 VAL N N 91 115.534 115.534 117.418 -1.884 18096 4202 1 6 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.909 -0.283 18096 4203 1 6 . 1 1 91 91 VAL C C 91 176.038 176.038 177.258 -1.220 18096 4204 1 6 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.112 -1.504 18096 4205 1 6 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.969 -0.047 18096 4206 1 6 . 1 1 91 91 VAL H H 91 7.760 7.760 7.231 0.529 18096 4207 1 6 . 1 1 92 92 LEU N N 92 119.713 119.713 117.990 1.723 18096 4208 1 6 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.092 0.148 18096 4209 1 6 . 1 1 92 92 LEU C C 92 176.769 176.769 177.242 -0.473 18096 4210 1 6 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.375 -0.785 18096 4211 1 6 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.146 -0.214 18096 4212 1 6 . 1 1 92 92 LEU H H 92 7.732 7.732 7.308 0.424 18096 4213 1 6 . 1 1 93 93 ASN N N 93 117.817 117.817 116.990 0.827 18096 4214 1 6 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.795 -0.119 18096 4215 1 6 . 1 1 93 93 ASN C C 93 174.955 174.955 173.794 1.161 18096 4216 1 6 . 1 1 93 93 ASN CA C 93 53.255 53.255 53.234 0.021 18096 4217 1 6 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.933 -0.425 18096 4218 1 6 . 1 1 93 93 ASN H H 93 7.916 7.916 7.501 0.415 18096 4219 1 6 . 1 1 94 94 VAL N N 94 118.650 118.650 120.988 -2.338 18096 4220 1 6 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.368 -0.344 18096 4221 1 6 . 1 1 94 94 VAL C C 94 175.740 175.740 174.163 1.577 18096 4222 1 6 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.079 1.453 18096 4223 1 6 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.978 -1.346 18096 4224 1 6 . 1 1 94 94 VAL H H 94 7.730 7.730 8.288 -0.558 18096 4225 1 6 . 1 1 95 95 HIS N N 95 121.293 121.293 125.196 -3.903 18096 4226 1 6 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.738 -0.119 18096 4227 1 6 . 1 1 95 95 HIS C C 95 174.146 174.146 173.857 0.289 18096 4228 1 6 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.540 -0.958 18096 4229 1 6 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.556 -1.801 18096 4230 1 6 . 1 1 95 95 HIS H H 95 8.341 8.341 8.427 -0.086 18096 4231 1 6 . 1 1 96 96 HIS N N 96 122.728 122.728 118.755 3.973 18096 4232 1 6 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.166 0.469 18096 4233 1 6 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.901 -1.319 18096 4234 1 6 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.924 -0.151 18096 4235 1 6 . 1 1 96 96 HIS H H 96 8.333 8.333 8.582 -0.249 18096 4236 1 6 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.032 0.263 18096 4237 1 6 . 1 1 97 97 ARG C C 97 175.776 175.776 174.378 1.398 18096 4238 1 6 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.874 -0.644 18096 4239 1 6 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.553 0.477 18096 4240 1 6 . 1 1 98 98 SER N N 98 118.439 118.439 114.653 3.786 18096 4241 1 6 . 1 1 98 98 SER HA H 98 4.736 4.736 4.836 -0.100 18096 4242 1 6 . 1 1 98 98 SER CA C 98 56.614 56.614 56.452 0.162 18096 4243 1 6 . 1 1 98 98 SER CB C 98 63.622 63.622 64.728 -1.106 18096 4244 1 6 . 1 1 98 98 SER H H 98 8.250 8.250 8.240 0.010 18096 4245 1 6 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.398 -0.004 18096 4246 1 6 . 1 1 99 99 PRO C C 99 176.879 176.879 176.432 0.447 18096 4247 1 6 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.218 -0.521 18096 4248 1 6 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.164 -0.118 18096 4249 1 6 . 1 1 100 100 GLU N N 100 120.297 120.297 115.379 4.918 18096 4250 1 6 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.350 -0.051 18096 4251 1 6 . 1 1 100 100 GLU C C 100 176.576 176.576 174.836 1.740 18096 4252 1 6 . 1 1 100 100 GLU CA C 100 56.467 56.467 56.137 0.330 18096 4253 1 6 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.515 -1.571 18096 4254 1 6 . 1 1 100 100 GLU H H 100 8.391 8.391 7.653 0.738 18096 4255 1 6 . 1 1 101 101 THR N N 101 114.144 114.144 112.098 2.046 18096 4256 1 6 . 1 1 101 101 THR HA H 101 4.280 4.280 4.279 0.001 18096 4257 1 6 . 1 1 101 101 THR C C 101 174.515 174.515 174.273 0.242 18096 4258 1 6 . 1 1 101 101 THR CA C 101 61.975 61.975 62.328 -0.353 18096 4259 1 6 . 1 1 101 101 THR CB C 101 69.817 69.817 68.946 0.871 18096 4260 1 6 . 1 1 101 101 THR H H 101 7.946 7.946 8.296 -0.350 18096 4261 1 6 . 1 1 102 102 HIS N N 102 120.429 120.429 121.507 -1.078 18096 4262 1 6 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.820 -0.070 18096 4263 1 6 . 1 1 102 102 HIS C C 102 174.764 174.764 173.817 0.947 18096 4264 1 6 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.634 0.051 18096 4265 1 6 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.941 -1.696 18096 4266 1 6 . 1 1 102 102 HIS H H 102 8.459 8.459 7.958 0.501 18096 4267 1 6 . 1 1 103 103 THR N N 103 114.319 114.319 118.754 -4.435 18096 4268 1 6 . 1 1 103 103 THR HA H 103 4.345 4.345 4.502 -0.157 18096 4269 1 6 . 1 1 103 103 THR C C 103 175.087 175.087 174.628 0.459 18096 4270 1 6 . 1 1 103 103 THR CA C 103 61.976 61.976 61.660 0.316 18096 4271 1 6 . 1 1 103 103 THR CB C 103 69.831 69.831 70.503 -0.672 18096 4272 1 6 . 1 1 103 103 THR H H 103 8.068 8.068 8.227 -0.159 18096 4273 1 6 . 1 1 104 104 GLY N N 104 111.143 111.143 112.367 -1.224 18096 4274 1 6 . 1 1 104 104 GLY C C 104 174.757 174.757 174.477 0.280 18096 4275 1 6 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.363 0.239 18096 4276 1 6 . 1 1 104 104 GLY H H 104 8.389 8.389 8.619 -0.230 18096 4277 1 6 . 1 1 105 105 GLY N N 105 108.642 108.642 110.496 -1.854 18096 4278 1 6 . 1 1 105 105 GLY C C 105 174.892 174.892 173.705 1.187 18096 4279 1 6 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.244 1.358 18096 4280 1 6 . 1 1 105 105 GLY H H 105 8.272 8.272 8.622 -0.350 18096 4281 1 6 . 1 1 106 106 GLY N N 106 108.820 108.820 105.693 3.127 18096 4282 1 6 . 1 1 106 106 GLY C C 106 174.886 174.886 174.272 0.614 18096 4283 1 6 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.633 0.969 18096 4284 1 6 . 1 1 106 106 GLY H H 106 8.359 8.359 7.929 0.430 18096 4285 1 6 . 1 1 107 107 GLY N N 107 108.550 108.550 108.535 0.015 18096 4286 1 6 . 1 1 107 107 GLY C C 107 174.886 174.886 175.321 -0.435 18096 4287 1 6 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.426 0.176 18096 4288 1 6 . 1 1 107 107 GLY H H 107 8.338 8.338 8.934 -0.596 18096 4289 1 6 . 1 1 108 108 GLY N N 108 108.519 108.519 108.102 0.417 18096 4290 1 6 . 1 1 108 108 GLY C C 108 175.411 175.411 174.995 0.416 18096 4291 1 6 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.579 1.228 18096 4292 1 6 . 1 1 108 108 GLY H H 108 8.336 8.336 7.911 0.425 18096 4293 1 6 . 1 1 109 109 ILE N N 109 120.914 120.914 122.163 -1.249 18096 4294 1 6 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.886 0.090 18096 4295 1 6 . 1 1 109 109 ILE C C 109 176.019 176.019 176.158 -0.139 18096 4296 1 6 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.067 -1.140 18096 4297 1 6 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.446 0.627 18096 4298 1 6 . 1 1 109 109 ILE H H 109 8.233 8.233 8.307 -0.074 18096 4299 1 6 . 1 1 110 110 ASP N N 110 121.149 121.149 120.192 0.957 18096 4300 1 6 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.495 -0.243 18096 4301 1 6 . 1 1 110 110 ASP C C 110 177.648 177.648 178.660 -1.012 18096 4302 1 6 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.717 -0.916 18096 4303 1 6 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.850 0.331 18096 4304 1 6 . 1 1 110 110 ASP H H 110 8.369 8.369 8.552 -0.183 18096 4305 1 6 . 1 1 111 111 ARG N N 111 119.198 119.198 120.478 -1.280 18096 4306 1 6 . 1 1 111 111 ARG HA H 111 3.989 3.989 3.928 0.061 18096 4307 1 6 . 1 1 111 111 ARG C C 111 177.502 177.502 178.768 -1.266 18096 4308 1 6 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.824 -0.104 18096 4309 1 6 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.876 0.227 18096 4310 1 6 . 1 1 111 111 ARG H H 111 7.835 7.835 8.091 -0.256 18096 4311 1 6 . 1 1 112 112 LEU N N 112 118.935 118.935 120.014 -1.079 18096 4312 1 6 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.216 -0.213 18096 4313 1 6 . 1 1 112 112 LEU C C 112 178.356 178.356 178.189 0.167 18096 4314 1 6 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.348 -0.113 18096 4315 1 6 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.954 -0.211 18096 4316 1 6 . 1 1 112 112 LEU H H 112 7.783 7.783 8.393 -0.610 18096 4317 1 6 . 1 1 113 113 PHE N N 113 116.117 116.117 119.633 -3.516 18096 4318 1 6 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.283 -0.199 18096 4319 1 6 . 1 1 113 113 PHE C C 113 177.092 177.092 177.730 -0.638 18096 4320 1 6 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.675 1.718 18096 4321 1 6 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.897 -0.006 18096 4322 1 6 . 1 1 113 113 PHE H H 113 8.072 8.072 7.850 0.222 18096 4323 1 6 . 1 1 114 114 LEU N N 114 118.710 118.710 119.661 -0.951 18096 4324 1 6 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.759 0.242 18096 4325 1 6 . 1 1 114 114 LEU C C 114 178.210 178.210 178.873 -0.663 18096 4326 1 6 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.075 0.434 18096 4327 1 6 . 1 1 114 114 LEU CB C 114 41.784 41.784 40.727 1.057 18096 4328 1 6 . 1 1 114 114 LEU H H 114 7.881 7.881 8.503 -0.622 18096 4329 1 6 . 1 1 115 115 TRP N N 115 117.801 117.801 121.884 -4.083 18096 4330 1 6 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.332 -0.050 18096 4331 1 6 . 1 1 115 115 TRP C C 115 178.536 178.536 178.627 -0.091 18096 4332 1 6 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.365 -0.622 18096 4333 1 6 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.314 -0.189 18096 4334 1 6 . 1 1 115 115 TRP H H 115 7.925 7.925 8.411 -0.486 18096 4335 1 6 . 1 1 116 116 ILE N N 116 118.212 118.212 116.301 1.911 18096 4336 1 6 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.101 0.593 18096 4337 1 6 . 1 1 116 116 ILE C C 116 177.423 177.423 177.427 -0.004 18096 4338 1 6 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.343 1.644 18096 4339 1 6 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.291 0.860 18096 4340 1 6 . 1 1 116 116 ILE H H 116 8.355 8.355 7.969 0.386 18096 4341 1 6 . 1 1 117 117 PHE N N 117 119.509 119.509 121.764 -2.255 18096 4342 1 6 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.138 -0.044 18096 4343 1 6 . 1 1 117 117 PHE C C 117 177.389 177.389 176.570 0.819 18096 4344 1 6 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.562 1.383 18096 4345 1 6 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.622 0.317 18096 4346 1 6 . 1 1 117 117 PHE H H 117 8.419 8.419 7.543 0.876 18096 4347 1 6 . 1 1 118 118 VAL N N 118 118.927 118.927 118.689 0.238 18096 4348 1 6 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.312 0.198 18096 4349 1 6 . 1 1 118 118 VAL C C 118 177.452 177.452 177.739 -0.287 18096 4350 1 6 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.567 0.874 18096 4351 1 6 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.552 -0.090 18096 4352 1 6 . 1 1 118 118 VAL H H 118 8.509 8.509 7.652 0.857 18096 4353 1 6 . 1 1 119 119 PHE N N 119 118.638 118.638 120.175 -1.537 18096 4354 1 6 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.047 -0.007 18096 4355 1 6 . 1 1 119 119 PHE C C 119 177.403 177.403 177.589 -0.186 18096 4356 1 6 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.808 0.795 18096 4357 1 6 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.484 0.661 18096 4358 1 6 . 1 1 119 119 PHE H H 119 8.477 8.477 7.404 1.073 18096 4359 1 6 . 1 1 120 120 VAL N N 120 118.660 118.660 118.448 0.212 18096 4360 1 6 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.754 -0.287 18096 4361 1 6 . 1 1 120 120 VAL C C 120 177.851 177.851 177.625 0.226 18096 4362 1 6 . 1 1 120 120 VAL CA C 120 67.436 67.436 66.055 1.381 18096 4363 1 6 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.779 -0.120 18096 4364 1 6 . 1 1 120 120 VAL H H 120 8.705 8.705 7.725 0.980 18096 4365 1 6 . 1 1 121 121 CYS N N 121 117.055 117.055 117.278 -0.223 18096 4366 1 6 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.049 -0.147 18096 4367 1 6 . 1 1 121 121 CYS C C 121 177.629 177.629 176.440 1.189 18096 4368 1 6 . 1 1 121 121 CYS CA C 121 64.339 64.339 63.770 0.569 18096 4369 1 6 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.934 -0.145 18096 4370 1 6 . 1 1 121 121 CYS H H 121 7.981 7.981 7.425 0.556 18096 4371 1 6 . 1 1 122 122 VAL N N 122 120.422 120.422 121.934 -1.512 18096 4372 1 6 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.555 -0.076 18096 4373 1 6 . 1 1 122 122 VAL C C 122 176.923 176.923 178.015 -1.092 18096 4374 1 6 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.497 0.764 18096 4375 1 6 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.378 0.748 18096 4376 1 6 . 1 1 122 122 VAL H H 122 8.487 8.487 7.451 1.036 18096 4377 1 6 . 1 1 123 123 PHE N N 123 117.927 117.927 117.523 0.404 18096 4378 1 6 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.092 -0.058 18096 4379 1 6 . 1 1 123 123 PHE C C 123 178.151 178.151 177.709 0.442 18096 4380 1 6 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.839 0.255 18096 4381 1 6 . 1 1 123 123 PHE CB C 123 38.637 38.637 37.700 0.938 18096 4382 1 6 . 1 1 123 123 PHE H H 123 8.630 8.630 7.700 0.930 18096 4383 1 6 . 1 1 124 124 GLY N N 124 106.539 106.539 106.076 0.463 18096 4384 1 6 . 1 1 124 124 GLY C C 124 174.290 174.290 176.006 -1.716 18096 4385 1 6 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.080 0.471 18096 4386 1 6 . 1 1 124 124 GLY H H 124 8.689 8.689 7.850 0.839 18096 4387 1 6 . 1 1 125 125 THR N N 125 117.059 117.059 115.896 1.163 18096 4388 1 6 . 1 1 125 125 THR HA H 125 3.649 3.649 4.020 -0.371 18096 4389 1 6 . 1 1 125 125 THR C C 125 176.231 176.231 176.583 -0.352 18096 4390 1 6 . 1 1 125 125 THR CA C 125 67.989 67.989 66.089 1.900 18096 4391 1 6 . 1 1 125 125 THR H H 125 7.553 7.553 7.739 -0.186 18096 4392 1 6 . 1 1 126 126 ILE N N 126 119.538 119.538 121.303 -1.765 18096 4393 1 6 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.863 -0.215 18096 4394 1 6 . 1 1 126 126 ILE C C 126 177.976 177.976 178.553 -0.577 18096 4395 1 6 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.388 2.327 18096 4396 1 6 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.347 1.483 18096 4397 1 6 . 1 1 126 126 ILE H H 126 8.003 8.003 8.368 -0.365 18096 4398 1 6 . 1 1 127 127 GLY N N 127 105.404 105.404 108.071 -2.667 18096 4399 1 6 . 1 1 127 127 GLY C C 127 174.597 174.597 176.227 -1.630 18096 4400 1 6 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.042 0.527 18096 4401 1 6 . 1 1 127 127 GLY H H 127 8.438 8.438 7.840 0.598 18096 4402 1 6 . 1 1 128 128 MET N N 128 117.893 117.893 119.101 -1.208 18096 4403 1 6 . 1 1 128 128 MET HA H 128 4.153 4.153 4.449 -0.296 18096 4404 1 6 . 1 1 128 128 MET C C 128 177.815 177.815 177.844 -0.029 18096 4405 1 6 . 1 1 128 128 MET CA C 128 58.198 58.198 57.711 0.487 18096 4406 1 6 . 1 1 128 128 MET CB C 128 32.113 32.113 32.953 -0.841 18096 4407 1 6 . 1 1 128 128 MET H H 128 7.821 7.821 7.563 0.258 18096 4408 1 6 . 1 1 129 129 PHE N N 129 116.018 116.018 121.465 -5.447 18096 4409 1 6 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.305 -0.171 18096 4410 1 6 . 1 1 129 129 PHE C C 129 175.863 175.863 175.263 0.600 18096 4411 1 6 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.205 -0.390 18096 4412 1 6 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.184 -0.094 18096 4413 1 6 . 1 1 129 129 PHE H H 129 7.797 7.797 8.270 -0.473 18096 4414 1 6 . 1 1 130 130 LEU N N 130 115.806 115.806 117.572 -1.766 18096 4415 1 6 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.240 0.098 18096 4416 1 6 . 1 1 130 130 LEU C C 130 177.219 177.219 177.290 -0.071 18096 4417 1 6 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.617 0.850 18096 4418 1 6 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.405 0.019 18096 4419 1 6 . 1 1 130 130 LEU H H 130 7.745 7.745 7.611 0.134 18096 4420 1 6 . 1 1 131 131 GLN N N 131 118.630 118.630 119.744 -1.114 18096 4421 1 6 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.166 -0.062 18096 4422 1 6 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.124 2.195 18096 4423 1 6 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.259 -0.438 18096 4424 1 6 . 1 1 131 131 GLN H H 131 7.808 7.808 7.427 0.381 18096 4425 1 6 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.375 -0.002 18096 4426 1 6 . 1 1 132 132 PRO C C 132 177.739 177.739 176.905 0.834 18096 4427 1 6 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.524 2.859 18096 4428 1 6 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.245 -0.719 18096 4429 1 6 . 1 1 133 133 LEU N N 133 115.632 115.632 118.049 -2.417 18096 4430 1 6 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.165 -0.101 18096 4431 1 6 . 1 1 133 133 LEU C C 133 176.918 176.918 176.489 0.429 18096 4432 1 6 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.601 -0.200 18096 4433 1 6 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.150 -0.161 18096 4434 1 6 . 1 1 133 133 LEU H H 133 7.689 7.689 8.252 -0.563 18096 4435 1 6 . 1 1 134 134 PHE N N 134 114.807 114.807 116.665 -1.858 18096 4436 1 6 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.626 -0.097 18096 4437 1 6 . 1 1 134 134 PHE C C 134 175.245 175.245 175.142 0.103 18096 4438 1 6 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.617 0.121 18096 4439 1 6 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.965 -0.356 18096 4440 1 6 . 1 1 134 134 PHE H H 134 7.679 7.679 7.411 0.268 18096 4441 1 6 . 1 1 135 135 GLN N N 135 118.318 118.318 120.086 -1.768 18096 4442 1 6 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.018 0.297 18096 4443 1 6 . 1 1 135 135 GLN C C 135 175.361 175.361 175.309 0.052 18096 4444 1 6 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.911 -1.804 18096 4445 1 6 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.064 0.802 18096 4446 1 6 . 1 1 135 135 GLN H H 135 7.651 7.651 8.837 -1.186 18096 4447 1 6 . 1 1 136 136 GLU N N 136 120.684 120.684 118.095 2.589 18096 4448 1 6 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.118 0.193 18096 4449 1 6 . 1 1 136 136 GLU C C 136 175.153 175.153 175.613 -0.460 18096 4450 1 6 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.806 -0.331 18096 4451 1 6 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.424 1.808 18096 4452 1 6 . 1 1 136 136 GLU H H 136 8.109 8.109 8.579 -0.470 18096 4453 1 7 . 1 1 3 3 ALA N N 3 124.656 124.656 122.643 2.013 18096 4454 1 7 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.741 -0.535 18096 4455 1 7 . 1 1 3 3 ALA C C 3 178.133 178.133 176.705 1.428 18096 4456 1 7 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.056 1.629 18096 4457 1 7 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.367 -1.284 18096 4458 1 7 . 1 1 3 3 ALA H H 3 8.402 8.402 8.559 -0.157 18096 4459 1 7 . 1 1 4 4 GLU N N 4 117.439 117.439 118.730 -1.291 18096 4460 1 7 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.340 -0.211 18096 4461 1 7 . 1 1 4 4 GLU C C 4 176.534 176.534 176.734 -0.200 18096 4462 1 7 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.538 0.886 18096 4463 1 7 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.355 -0.471 18096 4464 1 7 . 1 1 4 4 GLU H H 4 8.219 8.219 8.629 -0.410 18096 4465 1 7 . 1 1 5 5 GLU N N 5 118.815 118.815 119.176 -0.361 18096 4466 1 7 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.311 -0.100 18096 4467 1 7 . 1 1 5 5 GLU C C 5 176.604 176.604 177.458 -0.854 18096 4468 1 7 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.411 -0.460 18096 4469 1 7 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.588 0.374 18096 4470 1 7 . 1 1 5 5 GLU H H 5 7.992 7.992 8.189 -0.197 18096 4471 1 7 . 1 1 6 6 GLU N N 6 121.446 121.446 122.047 -0.601 18096 4472 1 7 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.251 -0.067 18096 4473 1 7 . 1 1 6 6 GLU CA C 6 57.421 57.421 59.801 -2.380 18096 4474 1 7 . 1 1 6 6 GLU CB C 6 28.983 28.983 27.394 1.589 18096 4475 1 7 . 1 1 6 6 GLU H H 6 8.148 8.148 8.662 -0.514 18096 4476 1 7 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.399 -0.136 18096 4477 1 7 . 1 1 7 7 PRO C C 7 178.717 178.717 178.694 0.023 18096 4478 1 7 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.053 0.476 18096 4479 1 7 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.181 0.142 18096 4480 1 7 . 1 1 8 8 LEU N N 8 119.642 119.642 119.296 0.346 18096 4481 1 7 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.190 -0.238 18096 4482 1 7 . 1 1 8 8 LEU C C 8 177.905 177.905 177.459 0.446 18096 4483 1 7 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.620 1.311 18096 4484 1 7 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.748 0.025 18096 4485 1 7 . 1 1 8 8 LEU H H 8 8.222 8.222 7.879 0.343 18096 4486 1 7 . 1 1 9 9 PHE N N 9 118.625 118.625 120.150 -1.525 18096 4487 1 7 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.132 0.040 18096 4488 1 7 . 1 1 9 9 PHE C C 9 177.620 177.620 176.412 1.208 18096 4489 1 7 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.845 0.227 18096 4490 1 7 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.073 -0.235 18096 4491 1 7 . 1 1 9 9 PHE H H 9 8.071 8.071 7.741 0.330 18096 4492 1 7 . 1 1 10 10 TYR N N 10 117.829 117.829 119.515 -1.686 18096 4493 1 7 . 1 1 10 10 TYR HA H 10 4.190 4.190 3.918 0.272 18096 4494 1 7 . 1 1 10 10 TYR C C 10 177.743 177.743 177.361 0.382 18096 4495 1 7 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.527 -0.318 18096 4496 1 7 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.994 -0.279 18096 4497 1 7 . 1 1 10 10 TYR H H 10 8.204 8.204 7.821 0.383 18096 4498 1 7 . 1 1 11 11 THR N N 11 115.545 115.545 114.356 1.189 18096 4499 1 7 . 1 1 11 11 THR HA H 11 3.875 3.875 3.669 0.206 18096 4500 1 7 . 1 1 11 11 THR C C 11 175.937 175.937 176.467 -0.530 18096 4501 1 7 . 1 1 11 11 THR CA C 11 67.187 67.187 65.929 1.258 18096 4502 1 7 . 1 1 11 11 THR CB C 11 68.579 68.579 68.499 0.080 18096 4503 1 7 . 1 1 11 11 THR H H 11 7.934 7.934 7.728 0.206 18096 4504 1 7 . 1 1 12 12 ILE N N 12 120.096 120.096 120.380 -0.284 18096 4505 1 7 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.632 0.050 18096 4506 1 7 . 1 1 12 12 ILE C C 12 175.863 175.863 177.295 -1.432 18096 4507 1 7 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.572 0.249 18096 4508 1 7 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.875 1.081 18096 4509 1 7 . 1 1 12 12 ILE H H 12 8.172 8.172 7.839 0.333 18096 4510 1 7 . 1 1 13 13 ASN N N 13 114.444 114.444 117.158 -2.714 18096 4511 1 7 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.376 0.017 18096 4512 1 7 . 1 1 13 13 ASN C C 13 174.880 174.880 176.130 -1.250 18096 4513 1 7 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.031 0.226 18096 4514 1 7 . 1 1 13 13 ASN CB C 13 39.546 39.546 37.989 1.557 18096 4515 1 7 . 1 1 13 13 ASN H H 13 7.731 7.731 7.422 0.309 18096 4516 1 7 . 1 1 14 14 LEU N N 14 115.306 115.306 118.956 -3.650 18096 4517 1 7 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.843 0.503 18096 4518 1 7 . 1 1 14 14 LEU C C 14 177.427 177.427 177.772 -0.345 18096 4519 1 7 . 1 1 14 14 LEU CA C 14 56.370 56.370 55.884 0.486 18096 4520 1 7 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.217 -0.451 18096 4521 1 7 . 1 1 14 14 LEU H H 14 7.381 7.381 7.108 0.273 18096 4522 1 7 . 1 1 15 15 ILE N N 15 117.935 117.935 119.339 -1.404 18096 4523 1 7 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.716 -0.118 18096 4524 1 7 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.358 3.094 18096 4525 1 7 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.746 0.935 18096 4526 1 7 . 1 1 15 15 ILE H H 15 8.135 8.135 7.331 0.804 18096 4527 1 7 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.360 -0.314 18096 4528 1 7 . 1 1 17 17 PRO C C 17 177.518 177.518 178.956 -1.438 18096 4529 1 7 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.566 1.079 18096 4530 1 7 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.946 0.020 18096 4531 1 7 . 1 1 18 18 CYS N N 18 113.411 113.411 118.648 -5.237 18096 4532 1 7 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.066 -0.115 18096 4533 1 7 . 1 1 18 18 CYS C C 18 177.617 177.617 176.480 1.137 18096 4534 1 7 . 1 1 18 18 CYS CA C 18 64.488 64.488 62.741 1.747 18096 4535 1 7 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.020 -0.252 18096 4536 1 7 . 1 1 18 18 CYS H H 18 7.338 7.338 7.598 -0.260 18096 4537 1 7 . 1 1 19 19 VAL N N 19 121.720 121.720 117.838 3.882 18096 4538 1 7 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.895 -0.374 18096 4539 1 7 . 1 1 19 19 VAL C C 19 178.069 178.069 177.878 0.191 18096 4540 1 7 . 1 1 19 19 VAL CA C 19 67.065 67.065 64.693 2.372 18096 4541 1 7 . 1 1 19 19 VAL CB C 19 31.752 31.752 30.238 1.514 18096 4542 1 7 . 1 1 19 19 VAL H H 19 8.587 8.587 7.724 0.863 18096 4543 1 7 . 1 1 20 20 LEU N N 20 121.731 121.731 122.134 -0.403 18096 4544 1 7 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.972 0.049 18096 4545 1 7 . 1 1 20 20 LEU C C 20 177.989 177.989 178.837 -0.848 18096 4546 1 7 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.351 0.298 18096 4547 1 7 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.919 0.015 18096 4548 1 7 . 1 1 20 20 LEU H H 20 8.344 8.344 7.324 1.020 18096 4549 1 7 . 1 1 21 21 ILE N N 21 117.403 117.403 118.303 -0.900 18096 4550 1 7 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.612 0.057 18096 4551 1 7 . 1 1 21 21 ILE C C 21 176.947 176.947 177.803 -0.856 18096 4552 1 7 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.618 -0.262 18096 4553 1 7 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.619 0.299 18096 4554 1 7 . 1 1 21 21 ILE H H 21 8.371 8.371 8.631 -0.260 18096 4555 1 7 . 1 1 22 22 THR N N 22 115.544 115.544 116.698 -1.154 18096 4556 1 7 . 1 1 22 22 THR HA H 22 3.681 3.681 3.956 -0.275 18096 4557 1 7 . 1 1 22 22 THR C C 22 176.073 176.073 176.417 -0.344 18096 4558 1 7 . 1 1 22 22 THR CA C 22 68.152 68.152 66.661 1.491 18096 4559 1 7 . 1 1 22 22 THR CB C 22 68.428 68.428 67.730 0.698 18096 4560 1 7 . 1 1 22 22 THR H H 22 7.829 7.829 7.673 0.156 18096 4561 1 7 . 1 1 23 23 SER N N 23 116.192 116.192 117.761 -1.569 18096 4562 1 7 . 1 1 23 23 SER HA H 23 4.023 4.023 4.083 -0.060 18096 4563 1 7 . 1 1 23 23 SER C C 23 175.279 175.279 176.651 -1.372 18096 4564 1 7 . 1 1 23 23 SER CA C 23 63.884 63.884 61.814 2.070 18096 4565 1 7 . 1 1 23 23 SER CB C 23 62.971 62.971 62.934 0.038 18096 4566 1 7 . 1 1 23 23 SER H H 23 8.069 8.069 7.674 0.395 18096 4567 1 7 . 1 1 24 24 LEU N N 24 120.855 120.855 122.936 -2.081 18096 4568 1 7 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.033 -0.052 18096 4569 1 7 . 1 1 24 24 LEU C C 24 177.542 177.542 178.799 -1.257 18096 4570 1 7 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.133 -0.097 18096 4571 1 7 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.670 0.271 18096 4572 1 7 . 1 1 24 24 LEU H H 24 7.858 7.858 7.477 0.381 18096 4573 1 7 . 1 1 25 25 ALA N N 25 119.507 119.507 122.021 -2.514 18096 4574 1 7 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.134 -0.194 18096 4575 1 7 . 1 1 25 25 ALA C C 25 177.915 177.915 180.074 -2.159 18096 4576 1 7 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.207 0.405 18096 4577 1 7 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.323 -0.072 18096 4578 1 7 . 1 1 25 25 ALA H H 25 8.141 8.141 7.845 0.296 18096 4579 1 7 . 1 1 26 26 ILE N N 26 115.689 115.689 119.372 -3.683 18096 4580 1 7 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.828 -0.030 18096 4581 1 7 . 1 1 26 26 ILE C C 26 177.729 177.729 178.227 -0.498 18096 4582 1 7 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.538 -0.198 18096 4583 1 7 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.034 -0.204 18096 4584 1 7 . 1 1 26 26 ILE H H 26 8.012 8.012 8.138 -0.126 18096 4585 1 7 . 1 1 27 27 LEU N N 27 118.567 118.567 120.057 -1.490 18096 4586 1 7 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.079 -0.073 18096 4587 1 7 . 1 1 27 27 LEU C C 27 178.364 178.364 179.037 -0.673 18096 4588 1 7 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.142 0.595 18096 4589 1 7 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.981 -0.144 18096 4590 1 7 . 1 1 27 27 LEU H H 27 8.045 8.045 7.967 0.078 18096 4591 1 7 . 1 1 28 28 VAL N N 28 113.720 113.720 119.703 -5.983 18096 4592 1 7 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.745 -0.170 18096 4593 1 7 . 1 1 28 28 VAL C C 28 177.809 177.809 177.836 -0.027 18096 4594 1 7 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.137 -0.124 18096 4595 1 7 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.587 0.463 18096 4596 1 7 . 1 1 28 28 VAL H H 28 8.008 8.008 7.603 0.405 18096 4597 1 7 . 1 1 29 29 PHE N N 29 115.458 115.458 118.228 -2.770 18096 4598 1 7 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.240 -0.031 18096 4599 1 7 . 1 1 29 29 PHE C C 29 176.366 176.366 177.555 -1.189 18096 4600 1 7 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.778 -0.920 18096 4601 1 7 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.465 0.132 18096 4602 1 7 . 1 1 29 29 PHE H H 29 7.915 7.915 7.814 0.101 18096 4603 1 7 . 1 1 30 30 TYR N N 30 115.649 115.649 117.372 -1.723 18096 4604 1 7 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.476 -0.235 18096 4605 1 7 . 1 1 30 30 TYR C C 30 175.388 175.388 175.852 -0.464 18096 4606 1 7 . 1 1 30 30 TYR CA C 30 59.386 59.386 61.383 -1.997 18096 4607 1 7 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.739 -0.099 18096 4608 1 7 . 1 1 30 30 TYR H H 30 8.002 8.002 7.592 0.410 18096 4609 1 7 . 1 1 31 31 LEU N N 31 121.144 121.144 119.509 1.635 18096 4610 1 7 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.802 -0.354 18096 4611 1 7 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.542 1.607 18096 4612 1 7 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.314 -0.978 18096 4613 1 7 . 1 1 31 31 LEU H H 31 7.514 7.514 7.708 -0.194 18096 4614 1 7 . 1 1 32 32 PRO C C 32 176.530 176.530 176.578 -0.048 18096 4615 1 7 . 1 1 33 33 SER N N 33 115.448 115.448 113.742 1.706 18096 4616 1 7 . 1 1 33 33 SER HA H 33 4.317 4.317 4.616 -0.299 18096 4617 1 7 . 1 1 33 33 SER C C 33 174.174 174.174 173.912 0.262 18096 4618 1 7 . 1 1 33 33 SER CA C 33 59.954 59.954 57.684 2.270 18096 4619 1 7 . 1 1 33 33 SER H H 33 8.370 8.370 7.980 0.390 18096 4620 1 7 . 1 1 34 34 ASP N N 34 119.694 119.694 123.413 -3.719 18096 4621 1 7 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.850 -0.265 18096 4622 1 7 . 1 1 34 34 ASP C C 34 175.971 175.971 175.933 0.038 18096 4623 1 7 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.717 -0.275 18096 4624 1 7 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.778 0.462 18096 4625 1 7 . 1 1 34 34 ASP H H 34 8.209 8.209 8.581 -0.372 18096 4626 1 7 . 1 1 35 35 CYS N N 35 114.872 114.872 118.586 -3.714 18096 4627 1 7 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.608 -0.405 18096 4628 1 7 . 1 1 35 35 CYS C C 35 175.147 175.147 175.510 -0.363 18096 4629 1 7 . 1 1 35 35 CYS CA C 35 61.121 61.121 57.902 3.219 18096 4630 1 7 . 1 1 35 35 CYS CB C 35 27.886 27.886 27.796 0.090 18096 4631 1 7 . 1 1 35 35 CYS H H 35 7.750 7.750 7.801 -0.051 18096 4632 1 7 . 1 1 36 36 GLY N N 36 110.059 110.059 109.640 0.419 18096 4633 1 7 . 1 1 36 36 GLY C C 36 174.391 174.391 175.205 -0.814 18096 4634 1 7 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.530 0.757 18096 4635 1 7 . 1 1 36 36 GLY H H 36 8.357 8.357 8.114 0.243 18096 4636 1 7 . 1 1 37 37 GLU N N 37 121.785 121.785 120.025 1.760 18096 4637 1 7 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.871 0.195 18096 4638 1 7 . 1 1 37 37 GLU C C 37 176.536 176.536 177.798 -1.262 18096 4639 1 7 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.488 -0.962 18096 4640 1 7 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.800 -0.071 18096 4641 1 7 . 1 1 37 37 GLU H H 37 8.359 8.359 8.534 -0.175 18096 4642 1 7 . 1 1 38 38 LYS N N 38 123.927 123.927 119.292 4.635 18096 4643 1 7 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.964 0.159 18096 4644 1 7 . 1 1 38 38 LYS C C 38 177.544 177.544 178.904 -1.360 18096 4645 1 7 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.249 -0.680 18096 4646 1 7 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.381 0.296 18096 4647 1 7 . 1 1 38 38 LYS H H 38 8.226 8.226 8.484 -0.258 18096 4648 1 7 . 1 1 39 39 MET N N 39 117.932 117.932 118.579 -0.647 18096 4649 1 7 . 1 1 39 39 MET HA H 39 4.135 4.135 4.167 -0.032 18096 4650 1 7 . 1 1 39 39 MET C C 39 178.602 178.602 178.777 -0.175 18096 4651 1 7 . 1 1 39 39 MET CA C 39 58.851 58.851 59.628 -0.777 18096 4652 1 7 . 1 1 39 39 MET CB C 39 32.220 32.220 32.328 -0.108 18096 4653 1 7 . 1 1 39 39 MET H H 39 8.262 8.262 8.022 0.240 18096 4654 1 7 . 1 1 40 40 THR N N 40 117.201 117.201 116.683 0.518 18096 4655 1 7 . 1 1 40 40 THR HA H 40 3.673 3.673 3.960 -0.287 18096 4656 1 7 . 1 1 40 40 THR C C 40 175.927 175.927 176.585 -0.658 18096 4657 1 7 . 1 1 40 40 THR CA C 40 67.352 67.352 66.924 0.428 18096 4658 1 7 . 1 1 40 40 THR H H 40 8.341 8.341 7.996 0.345 18096 4659 1 7 . 1 1 41 41 LEU N N 41 120.040 120.040 122.866 -2.826 18096 4660 1 7 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.059 -0.007 18096 4661 1 7 . 1 1 41 41 LEU C C 41 177.809 177.809 178.613 -0.804 18096 4662 1 7 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.783 0.604 18096 4663 1 7 . 1 1 41 41 LEU H H 41 8.181 8.181 8.490 -0.309 18096 4664 1 7 . 1 1 42 42 CYS N N 42 117.556 117.556 118.819 -1.263 18096 4665 1 7 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.036 -0.084 18096 4666 1 7 . 1 1 42 42 CYS C C 42 176.460 176.460 177.485 -1.025 18096 4667 1 7 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.580 0.917 18096 4668 1 7 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.410 0.423 18096 4669 1 7 . 1 1 42 42 CYS H H 42 7.949 7.949 8.573 -0.624 18096 4670 1 7 . 1 1 43 43 ILE N N 43 117.336 117.336 119.996 -2.660 18096 4671 1 7 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.647 -0.018 18096 4672 1 7 . 1 1 43 43 ILE C C 43 177.256 177.256 177.883 -0.627 18096 4673 1 7 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.257 -0.182 18096 4674 1 7 . 1 1 43 43 ILE CB C 43 37.944 37.944 38.035 -0.091 18096 4675 1 7 . 1 1 43 43 ILE H H 43 8.347 8.347 7.666 0.681 18096 4676 1 7 . 1 1 44 44 SER N N 44 116.243 116.243 116.460 -0.217 18096 4677 1 7 . 1 1 44 44 SER HA H 44 4.083 4.083 4.122 -0.039 18096 4678 1 7 . 1 1 44 44 SER C C 44 176.305 176.305 176.536 -0.231 18096 4679 1 7 . 1 1 44 44 SER CA C 44 63.348 63.348 62.819 0.529 18096 4680 1 7 . 1 1 44 44 SER CB C 44 62.954 62.954 63.138 -0.184 18096 4681 1 7 . 1 1 44 44 SER H H 44 8.064 8.064 7.931 0.133 18096 4682 1 7 . 1 1 45 45 VAL N N 45 120.333 120.333 121.079 -0.746 18096 4683 1 7 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.750 -0.234 18096 4684 1 7 . 1 1 45 45 VAL C C 45 177.247 177.247 177.446 -0.199 18096 4685 1 7 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.509 0.429 18096 4686 1 7 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.718 0.042 18096 4687 1 7 . 1 1 45 45 VAL H H 45 8.036 8.036 8.438 -0.402 18096 4688 1 7 . 1 1 46 46 LEU N N 46 119.430 119.430 119.770 -0.340 18096 4689 1 7 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.177 -0.229 18096 4690 1 7 . 1 1 46 46 LEU C C 46 180.032 180.032 178.779 1.253 18096 4691 1 7 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.341 1.185 18096 4692 1 7 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.753 0.232 18096 4693 1 7 . 1 1 46 46 LEU H H 46 7.959 7.959 7.406 0.553 18096 4694 1 7 . 1 1 47 47 LEU N N 47 121.110 121.110 120.890 0.220 18096 4695 1 7 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.864 0.134 18096 4696 1 7 . 1 1 47 47 LEU C C 47 177.985 177.985 178.443 -0.458 18096 4697 1 7 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.724 -0.285 18096 4698 1 7 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.464 0.582 18096 4699 1 7 . 1 1 47 47 LEU H H 47 8.695 8.695 8.025 0.670 18096 4700 1 7 . 1 1 48 48 ALA N N 48 121.251 121.251 121.670 -0.419 18096 4701 1 7 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.074 -0.229 18096 4702 1 7 . 1 1 48 48 ALA C C 48 178.834 178.834 179.722 -0.888 18096 4703 1 7 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.190 0.520 18096 4704 1 7 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.316 -0.183 18096 4705 1 7 . 1 1 48 48 ALA H H 48 8.272 8.272 7.612 0.660 18096 4706 1 7 . 1 1 49 49 LEU N N 49 116.290 116.290 117.747 -1.457 18096 4707 1 7 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.107 -0.110 18096 4708 1 7 . 1 1 49 49 LEU C C 49 178.068 178.068 179.492 -1.424 18096 4709 1 7 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.740 0.568 18096 4710 1 7 . 1 1 49 49 LEU CB C 49 41.946 41.946 40.791 1.155 18096 4711 1 7 . 1 1 49 49 LEU H H 49 8.526 8.526 7.782 0.744 18096 4712 1 7 . 1 1 50 50 THR N N 50 115.495 115.495 115.095 0.400 18096 4713 1 7 . 1 1 50 50 THR HA H 50 3.692 3.692 4.068 -0.376 18096 4714 1 7 . 1 1 50 50 THR C C 50 176.061 176.061 176.700 -0.639 18096 4715 1 7 . 1 1 50 50 THR CA C 50 68.786 68.786 66.995 1.791 18096 4716 1 7 . 1 1 50 50 THR H H 50 7.996 7.996 8.230 -0.234 18096 4717 1 7 . 1 1 51 51 VAL N N 51 119.977 119.977 122.143 -2.166 18096 4718 1 7 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.571 -0.075 18096 4719 1 7 . 1 1 51 51 VAL C C 51 177.063 177.063 177.854 -0.791 18096 4720 1 7 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.681 0.682 18096 4721 1 7 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.286 0.332 18096 4722 1 7 . 1 1 51 51 VAL H H 51 8.145 8.145 7.590 0.555 18096 4723 1 7 . 1 1 52 52 PHE N N 52 118.836 118.836 117.891 0.945 18096 4724 1 7 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.297 -0.195 18096 4725 1 7 . 1 1 52 52 PHE C C 52 176.721 176.721 178.099 -1.378 18096 4726 1 7 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.998 -0.359 18096 4727 1 7 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.485 0.844 18096 4728 1 7 . 1 1 52 52 PHE H H 52 8.354 8.354 7.534 0.820 18096 4729 1 7 . 1 1 53 53 LEU N N 53 117.271 117.271 121.633 -4.362 18096 4730 1 7 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.932 -0.060 18096 4731 1 7 . 1 1 53 53 LEU C C 53 179.184 179.184 178.383 0.801 18096 4732 1 7 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.637 -0.780 18096 4733 1 7 . 1 1 53 53 LEU CB C 53 41.995 41.995 42.091 -0.096 18096 4734 1 7 . 1 1 53 53 LEU H H 53 8.438 8.438 8.299 0.139 18096 4735 1 7 . 1 1 54 54 LEU N N 54 119.310 119.310 118.884 0.426 18096 4736 1 7 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.005 0.002 18096 4737 1 7 . 1 1 54 54 LEU C C 54 179.224 179.224 178.551 0.673 18096 4738 1 7 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.796 0.292 18096 4739 1 7 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.599 0.430 18096 4740 1 7 . 1 1 54 54 LEU H H 54 8.147 8.147 8.197 -0.050 18096 4741 1 7 . 1 1 55 55 LEU N N 55 118.400 118.400 119.965 -1.565 18096 4742 1 7 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.908 0.192 18096 4743 1 7 . 1 1 55 55 LEU C C 55 178.974 178.974 178.871 0.103 18096 4744 1 7 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.550 -0.689 18096 4745 1 7 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.117 -0.145 18096 4746 1 7 . 1 1 55 55 LEU H H 55 8.096 8.096 7.381 0.715 18096 4747 1 7 . 1 1 56 56 ILE N N 56 115.919 115.919 116.354 -0.435 18096 4748 1 7 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.135 -0.279 18096 4749 1 7 . 1 1 56 56 ILE C C 56 176.763 176.763 177.719 -0.956 18096 4750 1 7 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.194 0.317 18096 4751 1 7 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.921 -0.232 18096 4752 1 7 . 1 1 56 56 ILE H H 56 8.028 8.028 7.675 0.353 18096 4753 1 7 . 1 1 57 57 SER N N 57 114.862 114.862 114.575 0.287 18096 4754 1 7 . 1 1 57 57 SER HA H 57 4.178 4.178 4.223 -0.045 18096 4755 1 7 . 1 1 57 57 SER C C 57 175.258 175.258 175.730 -0.472 18096 4756 1 7 . 1 1 57 57 SER CA C 57 60.946 60.946 61.045 -0.099 18096 4757 1 7 . 1 1 57 57 SER CB C 57 63.558 63.558 63.382 0.176 18096 4758 1 7 . 1 1 57 57 SER H H 57 7.689 7.689 8.142 -0.453 18096 4759 1 7 . 1 1 58 58 LYS N N 58 118.080 118.080 119.522 -1.442 18096 4760 1 7 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.403 -0.116 18096 4761 1 7 . 1 1 58 58 LYS C C 58 176.668 176.668 176.835 -0.167 18096 4762 1 7 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.354 -1.247 18096 4763 1 7 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.075 -2.011 18096 4764 1 7 . 1 1 58 58 LYS H H 58 7.595 7.595 7.554 0.041 18096 4765 1 7 . 1 1 59 59 ILE N N 59 116.926 116.926 120.252 -3.326 18096 4766 1 7 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.338 -0.304 18096 4767 1 7 . 1 1 59 59 ILE C C 59 175.226 175.226 175.379 -0.153 18096 4768 1 7 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.599 3.785 18096 4769 1 7 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.649 -2.576 18096 4770 1 7 . 1 1 59 59 ILE H H 59 7.706 7.706 7.579 0.127 18096 4771 1 7 . 1 1 60 60 VAL N N 60 119.235 119.235 123.189 -3.954 18096 4772 1 7 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.078 0.248 18096 4773 1 7 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.731 -0.984 18096 4774 1 7 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.854 1.413 18096 4775 1 7 . 1 1 60 60 VAL H H 60 7.586 7.586 8.324 -0.738 18096 4776 1 7 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.603 0.041 18096 4777 1 7 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.314 0.207 18096 4778 1 7 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.746 0.390 18096 4779 1 7 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.246 0.245 18096 4780 1 7 . 1 1 62 62 PRO C C 62 176.912 176.912 177.603 -0.691 18096 4781 1 7 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.320 -1.077 18096 4782 1 7 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.405 0.473 18096 4783 1 7 . 1 1 63 63 THR N N 63 111.607 111.607 109.921 1.686 18096 4784 1 7 . 1 1 63 63 THR HA H 63 4.447 4.447 4.028 0.419 18096 4785 1 7 . 1 1 63 63 THR C C 63 174.725 174.725 174.960 -0.235 18096 4786 1 7 . 1 1 63 63 THR CA C 63 61.245 61.245 63.947 -2.701 18096 4787 1 7 . 1 1 63 63 THR CB C 63 69.807 69.807 68.579 1.228 18096 4788 1 7 . 1 1 63 63 THR H H 63 7.915 7.915 7.901 0.014 18096 4789 1 7 . 1 1 64 64 SER N N 64 116.516 116.516 115.445 1.071 18096 4790 1 7 . 1 1 64 64 SER HA H 64 4.411 4.411 4.657 -0.246 18096 4791 1 7 . 1 1 64 64 SER C C 64 174.580 174.580 173.042 1.538 18096 4792 1 7 . 1 1 64 64 SER CA C 64 58.608 58.608 57.691 0.917 18096 4793 1 7 . 1 1 64 64 SER CB C 64 63.742 63.742 64.336 -0.594 18096 4794 1 7 . 1 1 64 64 SER H H 64 8.127 8.127 7.566 0.561 18096 4795 1 7 . 1 1 65 65 SER N N 65 116.921 116.921 117.634 -0.713 18096 4796 1 7 . 1 1 65 65 SER HA H 65 4.453 4.453 4.652 -0.199 18096 4797 1 7 . 1 1 65 65 SER C C 65 174.100 174.100 175.479 -1.379 18096 4798 1 7 . 1 1 65 65 SER CA C 65 58.584 58.584 58.121 0.463 18096 4799 1 7 . 1 1 65 65 SER CB C 65 63.668 63.668 64.108 -0.440 18096 4800 1 7 . 1 1 65 65 SER H H 65 8.169 8.169 8.589 -0.420 18096 4801 1 7 . 1 1 66 66 ASP N N 66 120.478 120.478 123.087 -2.609 18096 4802 1 7 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.575 0.049 18096 4803 1 7 . 1 1 66 66 ASP C C 66 175.730 175.730 176.907 -1.177 18096 4804 1 7 . 1 1 66 66 ASP CA C 66 54.245 54.245 56.472 -2.227 18096 4805 1 7 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.519 -0.324 18096 4806 1 7 . 1 1 66 66 ASP H H 66 8.154 8.154 7.983 0.171 18096 4807 1 7 . 1 1 67 67 SER N N 67 115.159 115.159 113.464 1.695 18096 4808 1 7 . 1 1 67 67 SER HA H 67 4.528 4.528 4.864 -0.336 18096 4809 1 7 . 1 1 67 67 SER CA C 67 56.493 56.493 56.426 0.067 18096 4810 1 7 . 1 1 67 67 SER CB C 67 63.604 63.604 63.580 0.024 18096 4811 1 7 . 1 1 67 67 SER H H 67 7.930 7.930 7.902 0.028 18096 4812 1 7 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.554 -0.159 18096 4813 1 7 . 1 1 68 68 PRO C C 68 176.652 176.652 177.216 -0.564 18096 4814 1 7 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.615 0.978 18096 4815 1 7 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.257 -0.905 18096 4816 1 7 . 1 1 69 69 SER N N 69 115.859 115.859 114.547 1.312 18096 4817 1 7 . 1 1 69 69 SER HA H 69 4.436 4.436 4.461 -0.025 18096 4818 1 7 . 1 1 69 69 SER C C 69 174.611 174.611 175.355 -0.744 18096 4819 1 7 . 1 1 69 69 SER CA C 69 58.264 58.264 58.507 -0.242 18096 4820 1 7 . 1 1 69 69 SER CB C 69 63.919 63.919 62.594 1.325 18096 4821 1 7 . 1 1 69 69 SER H H 69 8.256 8.256 8.831 -0.575 18096 4822 1 7 . 1 1 70 70 VAL N N 70 117.241 117.241 119.134 -1.893 18096 4823 1 7 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.918 -0.116 18096 4824 1 7 . 1 1 70 70 VAL C C 70 177.772 177.772 177.447 0.325 18096 4825 1 7 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.746 1.899 18096 4826 1 7 . 1 1 70 70 VAL CB C 70 31.896 31.896 30.733 1.163 18096 4827 1 7 . 1 1 70 70 VAL H H 70 8.211 8.211 7.785 0.426 18096 4828 1 7 . 1 1 71 71 GLY N N 71 106.999 106.999 106.734 0.265 18096 4829 1 7 . 1 1 71 71 GLY C C 71 175.551 175.551 175.644 -0.093 18096 4830 1 7 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.495 0.750 18096 4831 1 7 . 1 1 71 71 GLY H H 71 8.566 8.566 8.403 0.163 18096 4832 1 7 . 1 1 72 72 GLU N N 72 121.376 121.376 123.050 -1.674 18096 4833 1 7 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.883 0.006 18096 4834 1 7 . 1 1 72 72 GLU C C 72 178.495 178.495 178.901 -0.406 18096 4835 1 7 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.253 0.865 18096 4836 1 7 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.351 0.239 18096 4837 1 7 . 1 1 72 72 GLU H H 72 7.919 7.919 7.216 0.703 18096 4838 1 7 . 1 1 73 73 TYR N N 73 117.643 117.643 116.816 0.827 18096 4839 1 7 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.401 -0.339 18096 4840 1 7 . 1 1 73 73 TYR C C 73 179.921 179.921 178.505 1.416 18096 4841 1 7 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.566 2.564 18096 4842 1 7 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.718 1.199 18096 4843 1 7 . 1 1 73 73 TYR H H 73 8.095 8.095 7.648 0.447 18096 4844 1 7 . 1 1 74 74 LEU N N 74 121.712 121.712 120.902 0.810 18096 4845 1 7 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.144 -0.081 18096 4846 1 7 . 1 1 74 74 LEU C C 74 178.385 178.385 178.352 0.033 18096 4847 1 7 . 1 1 74 74 LEU CA C 74 58.474 58.474 56.953 1.521 18096 4848 1 7 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.541 0.397 18096 4849 1 7 . 1 1 74 74 LEU H H 74 8.615 8.615 7.644 0.971 18096 4850 1 7 . 1 1 75 75 MET N N 75 119.087 119.087 120.001 -0.914 18096 4851 1 7 . 1 1 75 75 MET HA H 75 4.056 4.056 3.928 0.128 18096 4852 1 7 . 1 1 75 75 MET C C 75 177.851 177.851 178.196 -0.345 18096 4853 1 7 . 1 1 75 75 MET CA C 75 59.166 59.166 59.167 -0.001 18096 4854 1 7 . 1 1 75 75 MET CB C 75 32.093 32.093 32.105 -0.012 18096 4855 1 7 . 1 1 75 75 MET H H 75 8.362 8.362 7.610 0.752 18096 4856 1 7 . 1 1 76 76 PHE N N 76 117.788 117.788 116.081 1.707 18096 4857 1 7 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.288 -0.183 18096 4858 1 7 . 1 1 76 76 PHE C C 76 177.305 177.305 177.851 -0.546 18096 4859 1 7 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.554 0.822 18096 4860 1 7 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.825 1.136 18096 4861 1 7 . 1 1 76 76 PHE H H 76 8.471 8.471 7.523 0.948 18096 4862 1 7 . 1 1 77 77 THR N N 77 115.298 115.298 117.613 -2.315 18096 4863 1 7 . 1 1 77 77 THR HA H 77 3.673 3.673 3.878 -0.205 18096 4864 1 7 . 1 1 77 77 THR C C 77 176.057 176.057 176.414 -0.357 18096 4865 1 7 . 1 1 77 77 THR CA C 77 68.423 68.423 67.755 0.668 18096 4866 1 7 . 1 1 77 77 THR CB C 77 68.204 68.204 68.941 -0.737 18096 4867 1 7 . 1 1 77 77 THR H H 77 8.179 8.179 7.826 0.353 18096 4868 1 7 . 1 1 78 78 MET N N 78 119.204 119.204 120.177 -0.973 18096 4869 1 7 . 1 1 78 78 MET HA H 78 4.092 4.092 4.157 -0.065 18096 4870 1 7 . 1 1 78 78 MET C C 78 179.421 179.421 178.442 0.979 18096 4871 1 7 . 1 1 78 78 MET CA C 78 58.810 58.810 59.128 -0.318 18096 4872 1 7 . 1 1 78 78 MET CB C 78 32.176 32.176 32.041 0.135 18096 4873 1 7 . 1 1 78 78 MET H H 78 8.310 8.310 8.114 0.196 18096 4874 1 7 . 1 1 79 79 VAL N N 79 122.115 122.115 119.767 2.348 18096 4875 1 7 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.805 -0.313 18096 4876 1 7 . 1 1 79 79 VAL C C 79 176.866 176.866 178.677 -1.811 18096 4877 1 7 . 1 1 79 79 VAL CA C 79 67.374 67.374 67.009 0.365 18096 4878 1 7 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.298 0.317 18096 4879 1 7 . 1 1 79 79 VAL H H 79 8.239 8.239 7.566 0.673 18096 4880 1 7 . 1 1 80 80 LEU N N 80 120.240 120.240 120.569 -0.329 18096 4881 1 7 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.157 -0.218 18096 4882 1 7 . 1 1 80 80 LEU C C 80 180.078 180.078 179.195 0.883 18096 4883 1 7 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.997 0.600 18096 4884 1 7 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.157 -0.216 18096 4885 1 7 . 1 1 80 80 LEU H H 80 8.058 8.058 7.935 0.123 18096 4886 1 7 . 1 1 81 81 VAL N N 81 120.008 120.008 119.844 0.164 18096 4887 1 7 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.729 -0.271 18096 4888 1 7 . 1 1 81 81 VAL C C 81 177.670 177.670 178.250 -0.580 18096 4889 1 7 . 1 1 81 81 VAL CA C 81 67.337 67.337 66.882 0.455 18096 4890 1 7 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.130 0.485 18096 4891 1 7 . 1 1 81 81 VAL H H 81 8.800 8.800 8.410 0.390 18096 4892 1 7 . 1 1 82 82 THR N N 82 116.872 116.872 117.365 -0.493 18096 4893 1 7 . 1 1 82 82 THR HA H 82 3.676 3.676 3.969 -0.293 18096 4894 1 7 . 1 1 82 82 THR C C 82 176.268 176.268 176.453 -0.185 18096 4895 1 7 . 1 1 82 82 THR CA C 82 68.590 68.590 67.487 1.103 18096 4896 1 7 . 1 1 82 82 THR CB C 82 68.468 68.468 68.914 -0.446 18096 4897 1 7 . 1 1 82 82 THR H H 82 8.109 8.109 8.623 -0.514 18096 4898 1 7 . 1 1 83 83 PHE N N 83 119.777 119.777 120.397 -0.620 18096 4899 1 7 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.190 -0.109 18096 4900 1 7 . 1 1 83 83 PHE C C 83 178.015 178.015 177.494 0.521 18096 4901 1 7 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.675 -0.063 18096 4902 1 7 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.728 -0.042 18096 4903 1 7 . 1 1 83 83 PHE H H 83 8.754 8.754 7.884 0.870 18096 4904 1 7 . 1 1 84 84 SER N N 84 117.769 117.769 115.211 2.558 18096 4905 1 7 . 1 1 84 84 SER HA H 84 4.091 4.091 3.969 0.122 18096 4906 1 7 . 1 1 84 84 SER C C 84 175.899 175.899 176.580 -0.681 18096 4907 1 7 . 1 1 84 84 SER CA C 84 63.269 63.269 61.807 1.462 18096 4908 1 7 . 1 1 84 84 SER CB C 84 62.962 62.962 62.778 0.184 18096 4909 1 7 . 1 1 84 84 SER H H 84 8.335 8.335 7.614 0.722 18096 4910 1 7 . 1 1 85 85 ILE N N 85 122.986 122.986 122.286 0.700 18096 4911 1 7 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.877 -0.228 18096 4912 1 7 . 1 1 85 85 ILE C C 85 177.778 177.778 178.347 -0.569 18096 4913 1 7 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.296 2.208 18096 4914 1 7 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.648 1.466 18096 4915 1 7 . 1 1 85 85 ILE H H 85 8.187 8.187 7.855 0.332 18096 4916 1 7 . 1 1 86 86 VAL N N 86 117.289 117.289 117.832 -0.543 18096 4917 1 7 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.697 -0.188 18096 4918 1 7 . 1 1 86 86 VAL C C 86 177.816 177.816 178.149 -0.333 18096 4919 1 7 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.308 0.739 18096 4920 1 7 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.474 1.123 18096 4921 1 7 . 1 1 86 86 VAL H H 86 8.367 8.367 7.968 0.399 18096 4922 1 7 . 1 1 87 87 THR N N 87 116.788 116.788 115.774 1.014 18096 4923 1 7 . 1 1 87 87 THR HA H 87 3.758 3.758 3.805 -0.047 18096 4924 1 7 . 1 1 87 87 THR C C 87 176.095 176.095 176.405 -0.310 18096 4925 1 7 . 1 1 87 87 THR CA C 87 67.248 67.248 66.462 0.786 18096 4926 1 7 . 1 1 87 87 THR H H 87 8.007 8.007 7.239 0.768 18096 4927 1 7 . 1 1 88 88 SER N N 88 116.157 116.157 118.541 -2.384 18096 4928 1 7 . 1 1 88 88 SER HA H 88 4.018 4.018 4.097 -0.079 18096 4929 1 7 . 1 1 88 88 SER C C 88 174.932 174.932 176.888 -1.956 18096 4930 1 7 . 1 1 88 88 SER CA C 88 62.717 62.717 61.556 1.161 18096 4931 1 7 . 1 1 88 88 SER CB C 88 62.954 62.954 63.001 -0.047 18096 4932 1 7 . 1 1 88 88 SER H H 88 7.662 7.662 8.222 -0.560 18096 4933 1 7 . 1 1 89 89 VAL N N 89 117.956 117.956 122.482 -4.526 18096 4934 1 7 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.657 -0.141 18096 4935 1 7 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.391 0.875 18096 4936 1 7 . 1 1 89 89 VAL H H 89 8.274 8.274 8.364 -0.090 18096 4937 1 7 . 1 1 90 90 CYS N N 90 116.319 116.319 118.135 -1.816 18096 4938 1 7 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.269 -0.040 18096 4939 1 7 . 1 1 90 90 CYS C C 90 175.174 175.174 176.726 -1.552 18096 4940 1 7 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.985 -0.367 18096 4941 1 7 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.358 -0.567 18096 4942 1 7 . 1 1 90 90 CYS H H 90 7.654 7.654 7.545 0.109 18096 4943 1 7 . 1 1 91 91 VAL N N 91 115.534 115.534 119.310 -3.776 18096 4944 1 7 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.618 0.008 18096 4945 1 7 . 1 1 91 91 VAL C C 91 176.038 176.038 177.461 -1.423 18096 4946 1 7 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.771 -2.163 18096 4947 1 7 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.911 0.011 18096 4948 1 7 . 1 1 91 91 VAL H H 91 7.760 7.760 7.386 0.374 18096 4949 1 7 . 1 1 92 92 LEU N N 92 119.713 119.713 118.914 0.799 18096 4950 1 7 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.039 0.201 18096 4951 1 7 . 1 1 92 92 LEU C C 92 176.769 176.769 177.283 -0.514 18096 4952 1 7 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.286 -1.696 18096 4953 1 7 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.557 -0.625 18096 4954 1 7 . 1 1 92 92 LEU H H 92 7.732 7.732 7.318 0.414 18096 4955 1 7 . 1 1 93 93 ASN N N 93 117.817 117.817 115.798 2.019 18096 4956 1 7 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.897 -0.221 18096 4957 1 7 . 1 1 93 93 ASN C C 93 174.955 174.955 173.669 1.286 18096 4958 1 7 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.065 1.190 18096 4959 1 7 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.454 0.054 18096 4960 1 7 . 1 1 93 93 ASN H H 93 7.916 7.916 8.053 -0.137 18096 4961 1 7 . 1 1 94 94 VAL N N 94 118.650 118.650 121.487 -2.837 18096 4962 1 7 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.389 -0.365 18096 4963 1 7 . 1 1 94 94 VAL C C 94 175.740 175.740 175.095 0.645 18096 4964 1 7 . 1 1 94 94 VAL CA C 94 62.532 62.532 60.740 1.792 18096 4965 1 7 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.589 -1.956 18096 4966 1 7 . 1 1 94 94 VAL H H 94 7.730 7.730 8.455 -0.725 18096 4967 1 7 . 1 1 95 95 HIS N N 95 121.293 121.293 126.040 -4.747 18096 4968 1 7 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.846 -0.227 18096 4969 1 7 . 1 1 95 95 HIS C C 95 174.146 174.146 174.492 -0.346 18096 4970 1 7 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.584 -1.002 18096 4971 1 7 . 1 1 95 95 HIS CB C 95 29.755 29.755 29.621 0.134 18096 4972 1 7 . 1 1 95 95 HIS H H 95 8.341 8.341 8.543 -0.202 18096 4973 1 7 . 1 1 96 96 HIS N N 96 122.728 122.728 123.231 -0.503 18096 4974 1 7 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.649 -0.014 18096 4975 1 7 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.591 -0.009 18096 4976 1 7 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.123 -0.350 18096 4977 1 7 . 1 1 96 96 HIS H H 96 8.333 8.333 8.469 -0.136 18096 4978 1 7 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.472 -0.177 18096 4979 1 7 . 1 1 97 97 ARG C C 97 175.776 175.776 175.189 0.587 18096 4980 1 7 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.702 0.528 18096 4981 1 7 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.988 0.042 18096 4982 1 7 . 1 1 98 98 SER N N 98 118.439 118.439 116.506 1.933 18096 4983 1 7 . 1 1 98 98 SER HA H 98 4.736 4.736 4.832 -0.096 18096 4984 1 7 . 1 1 98 98 SER CA C 98 56.614 56.614 56.280 0.334 18096 4985 1 7 . 1 1 98 98 SER CB C 98 63.622 63.622 64.297 -0.675 18096 4986 1 7 . 1 1 98 98 SER H H 98 8.250 8.250 8.170 0.080 18096 4987 1 7 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.411 -0.017 18096 4988 1 7 . 1 1 99 99 PRO C C 99 176.879 176.879 176.565 0.314 18096 4989 1 7 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.297 -0.601 18096 4990 1 7 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.129 -0.083 18096 4991 1 7 . 1 1 100 100 GLU N N 100 120.297 120.297 118.610 1.687 18096 4992 1 7 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.437 -0.138 18096 4993 1 7 . 1 1 100 100 GLU C C 100 176.576 176.576 174.841 1.735 18096 4994 1 7 . 1 1 100 100 GLU CA C 100 56.467 56.467 56.050 0.416 18096 4995 1 7 . 1 1 100 100 GLU CB C 100 29.944 29.944 32.015 -2.071 18096 4996 1 7 . 1 1 100 100 GLU H H 100 8.391 8.391 7.867 0.524 18096 4997 1 7 . 1 1 101 101 THR N N 101 114.144 114.144 116.600 -2.456 18096 4998 1 7 . 1 1 101 101 THR HA H 101 4.280 4.280 4.494 -0.214 18096 4999 1 7 . 1 1 101 101 THR C C 101 174.515 174.515 174.115 0.400 18096 5000 1 7 . 1 1 101 101 THR CA C 101 61.975 61.975 62.270 -0.295 18096 5001 1 7 . 1 1 101 101 THR CB C 101 69.817 69.817 69.190 0.627 18096 5002 1 7 . 1 1 101 101 THR H H 101 7.946 7.946 8.238 -0.292 18096 5003 1 7 . 1 1 102 102 HIS N N 102 120.429 120.429 121.939 -1.510 18096 5004 1 7 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.380 0.370 18096 5005 1 7 . 1 1 102 102 HIS C C 102 174.764 174.764 175.878 -1.114 18096 5006 1 7 . 1 1 102 102 HIS CA C 102 55.685 55.685 57.221 -1.536 18096 5007 1 7 . 1 1 102 102 HIS CB C 102 29.245 29.245 29.972 -0.727 18096 5008 1 7 . 1 1 102 102 HIS H H 102 8.459 8.459 8.327 0.132 18096 5009 1 7 . 1 1 103 103 THR N N 103 114.319 114.319 114.371 -0.052 18096 5010 1 7 . 1 1 103 103 THR HA H 103 4.345 4.345 4.395 -0.050 18096 5011 1 7 . 1 1 103 103 THR C C 103 175.087 175.087 174.762 0.325 18096 5012 1 7 . 1 1 103 103 THR CA C 103 61.976 61.976 62.337 -0.361 18096 5013 1 7 . 1 1 103 103 THR CB C 103 69.831 69.831 69.973 -0.142 18096 5014 1 7 . 1 1 103 103 THR H H 103 8.068 8.068 7.753 0.315 18096 5015 1 7 . 1 1 104 104 GLY N N 104 111.143 111.143 110.178 0.965 18096 5016 1 7 . 1 1 104 104 GLY C C 104 174.757 174.757 174.816 -0.059 18096 5017 1 7 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.000 0.602 18096 5018 1 7 . 1 1 104 104 GLY H H 104 8.389 8.389 8.760 -0.371 18096 5019 1 7 . 1 1 105 105 GLY N N 105 108.642 108.642 107.799 0.843 18096 5020 1 7 . 1 1 105 105 GLY C C 105 174.892 174.892 173.771 1.121 18096 5021 1 7 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.283 1.319 18096 5022 1 7 . 1 1 105 105 GLY H H 105 8.272 8.272 7.722 0.550 18096 5023 1 7 . 1 1 106 106 GLY N N 106 108.820 108.820 106.975 1.845 18096 5024 1 7 . 1 1 106 106 GLY C C 106 174.886 174.886 174.970 -0.084 18096 5025 1 7 . 1 1 106 106 GLY CA C 106 45.602 45.602 46.194 -0.591 18096 5026 1 7 . 1 1 106 106 GLY H H 106 8.359 8.359 10.038 -1.679 18096 5027 1 7 . 1 1 107 107 GLY N N 107 108.550 108.550 106.068 2.482 18096 5028 1 7 . 1 1 107 107 GLY C C 107 174.886 174.886 175.067 -0.181 18096 5029 1 7 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.303 0.298 18096 5030 1 7 . 1 1 107 107 GLY H H 107 8.338 8.338 10.074 -1.736 18096 5031 1 7 . 1 1 108 108 GLY N N 108 108.519 108.519 108.147 0.372 18096 5032 1 7 . 1 1 108 108 GLY C C 108 175.411 175.411 175.985 -0.574 18096 5033 1 7 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.716 1.091 18096 5034 1 7 . 1 1 108 108 GLY H H 108 8.336 8.336 8.308 0.028 18096 5035 1 7 . 1 1 109 109 ILE N N 109 120.914 120.914 121.770 -0.856 18096 5036 1 7 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.855 0.121 18096 5037 1 7 . 1 1 109 109 ILE C C 109 176.019 176.019 176.098 -0.079 18096 5038 1 7 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.993 -1.066 18096 5039 1 7 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.471 0.602 18096 5040 1 7 . 1 1 109 109 ILE H H 109 8.233 8.233 8.188 0.045 18096 5041 1 7 . 1 1 110 110 ASP N N 110 121.149 121.149 119.530 1.619 18096 5042 1 7 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.489 -0.237 18096 5043 1 7 . 1 1 110 110 ASP C C 110 177.648 177.648 178.992 -1.344 18096 5044 1 7 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.809 -1.008 18096 5045 1 7 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.868 0.313 18096 5046 1 7 . 1 1 110 110 ASP H H 110 8.369 8.369 8.680 -0.311 18096 5047 1 7 . 1 1 111 111 ARG N N 111 119.198 119.198 120.280 -1.082 18096 5048 1 7 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.149 -0.160 18096 5049 1 7 . 1 1 111 111 ARG C C 111 177.502 177.502 178.798 -1.296 18096 5050 1 7 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.746 -0.026 18096 5051 1 7 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.896 0.207 18096 5052 1 7 . 1 1 111 111 ARG H H 111 7.835 7.835 7.520 0.315 18096 5053 1 7 . 1 1 112 112 LEU N N 112 118.935 118.935 120.897 -1.962 18096 5054 1 7 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.013 -0.010 18096 5055 1 7 . 1 1 112 112 LEU C C 112 178.356 178.356 178.713 -0.357 18096 5056 1 7 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.806 -0.571 18096 5057 1 7 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.853 -0.110 18096 5058 1 7 . 1 1 112 112 LEU H H 112 7.783 7.783 7.721 0.062 18096 5059 1 7 . 1 1 113 113 PHE N N 113 116.117 116.117 118.490 -2.373 18096 5060 1 7 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.197 -0.113 18096 5061 1 7 . 1 1 113 113 PHE C C 113 177.092 177.092 178.127 -1.035 18096 5062 1 7 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.713 0.679 18096 5063 1 7 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.791 0.100 18096 5064 1 7 . 1 1 113 113 PHE H H 113 8.072 8.072 7.844 0.228 18096 5065 1 7 . 1 1 114 114 LEU N N 114 118.710 118.710 120.228 -1.518 18096 5066 1 7 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.164 -0.163 18096 5067 1 7 . 1 1 114 114 LEU C C 114 178.210 178.210 178.296 -0.086 18096 5068 1 7 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.126 -0.617 18096 5069 1 7 . 1 1 114 114 LEU CB C 114 41.784 41.784 42.011 -0.227 18096 5070 1 7 . 1 1 114 114 LEU H H 114 7.881 7.881 7.944 -0.063 18096 5071 1 7 . 1 1 115 115 TRP N N 115 117.801 117.801 121.437 -3.636 18096 5072 1 7 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.317 -0.035 18096 5073 1 7 . 1 1 115 115 TRP C C 115 178.536 178.536 178.814 -0.278 18096 5074 1 7 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.217 -0.473 18096 5075 1 7 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.697 -0.572 18096 5076 1 7 . 1 1 115 115 TRP H H 115 7.925 7.925 8.587 -0.662 18096 5077 1 7 . 1 1 116 116 ILE N N 116 118.212 118.212 114.818 3.394 18096 5078 1 7 . 1 1 116 116 ILE HA H 116 3.694 3.694 4.010 -0.316 18096 5079 1 7 . 1 1 116 116 ILE C C 116 177.423 177.423 177.403 0.020 18096 5080 1 7 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.476 1.511 18096 5081 1 7 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.341 0.810 18096 5082 1 7 . 1 1 116 116 ILE H H 116 8.355 8.355 8.129 0.226 18096 5083 1 7 . 1 1 117 117 PHE N N 117 119.509 119.509 122.558 -3.049 18096 5084 1 7 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.453 -0.359 18096 5085 1 7 . 1 1 117 117 PHE C C 117 177.389 177.389 176.746 0.643 18096 5086 1 7 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.492 1.452 18096 5087 1 7 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.246 -0.307 18096 5088 1 7 . 1 1 117 117 PHE H H 117 8.419 8.419 7.476 0.943 18096 5089 1 7 . 1 1 118 118 VAL N N 118 118.927 118.927 118.155 0.772 18096 5090 1 7 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.376 0.134 18096 5091 1 7 . 1 1 118 118 VAL C C 118 177.452 177.452 177.523 -0.071 18096 5092 1 7 . 1 1 118 118 VAL CA C 118 67.440 67.440 65.110 2.330 18096 5093 1 7 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.484 0.978 18096 5094 1 7 . 1 1 118 118 VAL H H 118 8.509 8.509 8.529 -0.020 18096 5095 1 7 . 1 1 119 119 PHE N N 119 118.638 118.638 121.501 -2.863 18096 5096 1 7 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.077 -0.037 18096 5097 1 7 . 1 1 119 119 PHE C C 119 177.403 177.403 177.172 0.231 18096 5098 1 7 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.958 0.645 18096 5099 1 7 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.039 0.106 18096 5100 1 7 . 1 1 119 119 PHE H H 119 8.477 8.477 7.614 0.863 18096 5101 1 7 . 1 1 120 120 VAL N N 120 118.660 118.660 118.524 0.136 18096 5102 1 7 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.458 0.009 18096 5103 1 7 . 1 1 120 120 VAL C C 120 177.851 177.851 176.597 1.254 18096 5104 1 7 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.472 1.964 18096 5105 1 7 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.659 0.000 18096 5106 1 7 . 1 1 120 120 VAL H H 120 8.705 8.705 7.645 1.060 18096 5107 1 7 . 1 1 121 121 CYS N N 121 117.055 117.055 117.456 -0.401 18096 5108 1 7 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.950 -0.048 18096 5109 1 7 . 1 1 121 121 CYS C C 121 177.629 177.629 176.301 1.328 18096 5110 1 7 . 1 1 121 121 CYS CA C 121 64.339 64.339 61.987 2.352 18096 5111 1 7 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.218 -0.429 18096 5112 1 7 . 1 1 121 121 CYS H H 121 7.981 7.981 7.234 0.747 18096 5113 1 7 . 1 1 122 122 VAL N N 122 120.422 120.422 121.411 -0.989 18096 5114 1 7 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.649 -0.170 18096 5115 1 7 . 1 1 122 122 VAL C C 122 176.923 176.923 178.486 -1.563 18096 5116 1 7 . 1 1 122 122 VAL CA C 122 67.261 67.261 67.069 0.192 18096 5117 1 7 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.219 0.907 18096 5118 1 7 . 1 1 122 122 VAL H H 122 8.487 8.487 8.204 0.283 18096 5119 1 7 . 1 1 123 123 PHE N N 123 117.927 117.927 119.576 -1.649 18096 5120 1 7 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.026 0.008 18096 5121 1 7 . 1 1 123 123 PHE C C 123 178.151 178.151 176.641 1.510 18096 5122 1 7 . 1 1 123 123 PHE CA C 123 62.094 62.094 60.904 1.190 18096 5123 1 7 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.341 0.296 18096 5124 1 7 . 1 1 123 123 PHE H H 123 8.630 8.630 8.614 0.016 18096 5125 1 7 . 1 1 124 124 GLY N N 124 106.539 106.539 105.353 1.186 18096 5126 1 7 . 1 1 124 124 GLY C C 124 174.290 174.290 175.463 -1.173 18096 5127 1 7 . 1 1 124 124 GLY CA C 124 47.551 47.551 46.628 0.923 18096 5128 1 7 . 1 1 124 124 GLY H H 124 8.689 8.689 7.319 1.370 18096 5129 1 7 . 1 1 125 125 THR N N 125 117.059 117.059 116.599 0.460 18096 5130 1 7 . 1 1 125 125 THR HA H 125 3.649 3.649 3.846 -0.197 18096 5131 1 7 . 1 1 125 125 THR C C 125 176.231 176.231 176.802 -0.571 18096 5132 1 7 . 1 1 125 125 THR CA C 125 67.989 67.989 65.902 2.087 18096 5133 1 7 . 1 1 125 125 THR H H 125 7.553 7.553 8.095 -0.542 18096 5134 1 7 . 1 1 126 126 ILE N N 126 119.538 119.538 120.576 -1.038 18096 5135 1 7 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.673 -0.025 18096 5136 1 7 . 1 1 126 126 ILE C C 126 177.976 177.976 178.376 -0.400 18096 5137 1 7 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.038 2.677 18096 5138 1 7 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.251 1.579 18096 5139 1 7 . 1 1 126 126 ILE H H 126 8.003 8.003 7.711 0.292 18096 5140 1 7 . 1 1 127 127 GLY N N 127 105.404 105.404 108.085 -2.681 18096 5141 1 7 . 1 1 127 127 GLY C C 127 174.597 174.597 175.935 -1.338 18096 5142 1 7 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.879 0.690 18096 5143 1 7 . 1 1 127 127 GLY H H 127 8.438 8.438 7.502 0.936 18096 5144 1 7 . 1 1 128 128 MET N N 128 117.893 117.893 118.104 -0.211 18096 5145 1 7 . 1 1 128 128 MET HA H 128 4.153 4.153 4.461 -0.308 18096 5146 1 7 . 1 1 128 128 MET C C 128 177.815 177.815 178.097 -0.282 18096 5147 1 7 . 1 1 128 128 MET CA C 128 58.198 58.198 57.794 0.405 18096 5148 1 7 . 1 1 128 128 MET CB C 128 32.113 32.113 33.144 -1.031 18096 5149 1 7 . 1 1 128 128 MET H H 128 7.821 7.821 7.456 0.365 18096 5150 1 7 . 1 1 129 129 PHE N N 129 116.018 116.018 121.494 -5.476 18096 5151 1 7 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.221 -0.087 18096 5152 1 7 . 1 1 129 129 PHE C C 129 175.863 175.863 175.575 0.288 18096 5153 1 7 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.745 -0.930 18096 5154 1 7 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.048 0.042 18096 5155 1 7 . 1 1 129 129 PHE H H 129 7.797 7.797 8.106 -0.309 18096 5156 1 7 . 1 1 130 130 LEU N N 130 115.806 115.806 117.761 -1.955 18096 5157 1 7 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.267 0.071 18096 5158 1 7 . 1 1 130 130 LEU C C 130 177.219 177.219 177.330 -0.111 18096 5159 1 7 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.812 0.655 18096 5160 1 7 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.101 0.323 18096 5161 1 7 . 1 1 130 130 LEU H H 130 7.745 7.745 7.685 0.060 18096 5162 1 7 . 1 1 131 131 GLN N N 131 118.630 118.630 119.780 -1.150 18096 5163 1 7 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.203 -0.099 18096 5164 1 7 . 1 1 131 131 GLN CA C 131 60.319 60.319 57.670 2.649 18096 5165 1 7 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.633 -0.812 18096 5166 1 7 . 1 1 131 131 GLN H H 131 7.808 7.808 7.358 0.450 18096 5167 1 7 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.411 -0.038 18096 5168 1 7 . 1 1 132 132 PRO C C 132 177.739 177.739 177.102 0.637 18096 5169 1 7 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.801 2.582 18096 5170 1 7 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.126 -0.600 18096 5171 1 7 . 1 1 133 133 LEU N N 133 115.632 115.632 116.860 -1.228 18096 5172 1 7 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.220 -0.156 18096 5173 1 7 . 1 1 133 133 LEU C C 133 176.918 176.918 176.231 0.687 18096 5174 1 7 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.808 -0.407 18096 5175 1 7 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.037 -0.048 18096 5176 1 7 . 1 1 133 133 LEU H H 133 7.689 7.689 8.220 -0.531 18096 5177 1 7 . 1 1 134 134 PHE N N 134 114.807 114.807 116.763 -1.956 18096 5178 1 7 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.719 -0.190 18096 5179 1 7 . 1 1 134 134 PHE C C 134 175.245 175.245 175.253 -0.008 18096 5180 1 7 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.722 0.016 18096 5181 1 7 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.717 -0.108 18096 5182 1 7 . 1 1 134 134 PHE H H 134 7.679 7.679 7.476 0.203 18096 5183 1 7 . 1 1 135 135 GLN N N 135 118.318 118.318 120.155 -1.837 18096 5184 1 7 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.165 0.150 18096 5185 1 7 . 1 1 135 135 GLN C C 135 175.361 175.361 175.506 -0.145 18096 5186 1 7 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.547 -1.440 18096 5187 1 7 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.145 0.721 18096 5188 1 7 . 1 1 135 135 GLN H H 135 7.651 7.651 8.848 -1.197 18096 5189 1 7 . 1 1 136 136 GLU N N 136 120.684 120.684 119.835 0.849 18096 5190 1 7 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.327 -0.016 18096 5191 1 7 . 1 1 136 136 GLU C C 136 175.153 175.153 175.629 -0.476 18096 5192 1 7 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.041 -0.566 18096 5193 1 7 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.201 1.031 18096 5194 1 7 . 1 1 136 136 GLU H H 136 8.109 8.109 8.596 -0.487 18096 5195 1 8 . 1 1 3 3 ALA N N 3 124.656 124.656 125.103 -0.447 18096 5196 1 8 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.859 -0.653 18096 5197 1 8 . 1 1 3 3 ALA C C 3 178.133 178.133 177.490 0.643 18096 5198 1 8 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.558 2.127 18096 5199 1 8 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.104 -0.021 18096 5200 1 8 . 1 1 3 3 ALA H H 3 8.402 8.402 8.399 0.003 18096 5201 1 8 . 1 1 4 4 GLU N N 4 117.439 117.439 122.503 -5.064 18096 5202 1 8 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.409 -0.280 18096 5203 1 8 . 1 1 4 4 GLU C C 4 176.534 176.534 175.143 1.391 18096 5204 1 8 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.282 1.142 18096 5205 1 8 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.445 -0.561 18096 5206 1 8 . 1 1 4 4 GLU H H 4 8.219 8.219 8.763 -0.544 18096 5207 1 8 . 1 1 5 5 GLU N N 5 118.815 118.815 119.019 -0.204 18096 5208 1 8 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.649 -0.438 18096 5209 1 8 . 1 1 5 5 GLU C C 5 176.604 176.604 175.320 1.284 18096 5210 1 8 . 1 1 5 5 GLU CA C 5 56.951 56.951 55.878 1.073 18096 5211 1 8 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.664 0.298 18096 5212 1 8 . 1 1 5 5 GLU H H 5 7.992 7.992 8.161 -0.169 18096 5213 1 8 . 1 1 6 6 GLU N N 6 121.446 121.446 124.944 -3.498 18096 5214 1 8 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.385 -0.201 18096 5215 1 8 . 1 1 6 6 GLU CA C 6 57.421 57.421 57.010 0.411 18096 5216 1 8 . 1 1 6 6 GLU CB C 6 28.983 28.983 29.086 -0.103 18096 5217 1 8 . 1 1 6 6 GLU H H 6 8.148 8.148 8.812 -0.664 18096 5218 1 8 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.390 -0.127 18096 5219 1 8 . 1 1 7 7 PRO C C 7 178.717 178.717 177.997 0.720 18096 5220 1 8 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.308 0.221 18096 5221 1 8 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.593 -0.271 18096 5222 1 8 . 1 1 8 8 LEU N N 8 119.642 119.642 118.691 0.951 18096 5223 1 8 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.184 -0.232 18096 5224 1 8 . 1 1 8 8 LEU C C 8 177.905 177.905 177.787 0.118 18096 5225 1 8 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.556 1.375 18096 5226 1 8 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.831 -0.058 18096 5227 1 8 . 1 1 8 8 LEU H H 8 8.222 8.222 7.816 0.406 18096 5228 1 8 . 1 1 9 9 PHE N N 9 118.625 118.625 119.692 -1.067 18096 5229 1 8 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.120 0.052 18096 5230 1 8 . 1 1 9 9 PHE C C 9 177.620 177.620 176.500 1.120 18096 5231 1 8 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.876 0.196 18096 5232 1 8 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.256 -0.418 18096 5233 1 8 . 1 1 9 9 PHE H H 9 8.071 8.071 7.692 0.379 18096 5234 1 8 . 1 1 10 10 TYR N N 10 117.829 117.829 119.069 -1.240 18096 5235 1 8 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.213 -0.023 18096 5236 1 8 . 1 1 10 10 TYR C C 10 177.743 177.743 177.429 0.314 18096 5237 1 8 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.230 -1.021 18096 5238 1 8 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.514 0.201 18096 5239 1 8 . 1 1 10 10 TYR H H 10 8.204 8.204 7.886 0.318 18096 5240 1 8 . 1 1 11 11 THR N N 11 115.545 115.545 114.208 1.337 18096 5241 1 8 . 1 1 11 11 THR HA H 11 3.875 3.875 3.825 0.050 18096 5242 1 8 . 1 1 11 11 THR C C 11 175.937 175.937 176.431 -0.494 18096 5243 1 8 . 1 1 11 11 THR CA C 11 67.187 67.187 65.454 1.733 18096 5244 1 8 . 1 1 11 11 THR CB C 11 68.579 68.579 68.294 0.284 18096 5245 1 8 . 1 1 11 11 THR H H 11 7.934 7.934 8.067 -0.133 18096 5246 1 8 . 1 1 12 12 ILE N N 12 120.096 120.096 120.096 0.000 18096 5247 1 8 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.602 0.080 18096 5248 1 8 . 1 1 12 12 ILE C C 12 175.863 175.863 177.198 -1.335 18096 5249 1 8 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.352 -0.531 18096 5250 1 8 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.534 0.422 18096 5251 1 8 . 1 1 12 12 ILE H H 12 8.172 8.172 7.598 0.574 18096 5252 1 8 . 1 1 13 13 ASN N N 13 114.444 114.444 117.194 -2.750 18096 5253 1 8 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.348 0.045 18096 5254 1 8 . 1 1 13 13 ASN C C 13 174.880 174.880 176.070 -1.190 18096 5255 1 8 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.174 0.083 18096 5256 1 8 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.262 1.284 18096 5257 1 8 . 1 1 13 13 ASN H H 13 7.731 7.731 7.374 0.357 18096 5258 1 8 . 1 1 14 14 LEU N N 14 115.306 115.306 119.171 -3.865 18096 5259 1 8 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.655 0.691 18096 5260 1 8 . 1 1 14 14 LEU C C 14 177.427 177.427 177.618 -0.191 18096 5261 1 8 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.377 -0.007 18096 5262 1 8 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.113 -0.347 18096 5263 1 8 . 1 1 14 14 LEU H H 14 7.381 7.381 7.074 0.307 18096 5264 1 8 . 1 1 15 15 ILE N N 15 117.935 117.935 119.780 -1.845 18096 5265 1 8 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.938 -0.340 18096 5266 1 8 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.130 3.322 18096 5267 1 8 . 1 1 15 15 ILE CB C 15 37.681 37.681 37.052 0.629 18096 5268 1 8 . 1 1 15 15 ILE H H 15 8.135 8.135 7.261 0.874 18096 5269 1 8 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.375 -0.329 18096 5270 1 8 . 1 1 17 17 PRO C C 17 177.518 177.518 178.961 -1.443 18096 5271 1 8 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.669 0.976 18096 5272 1 8 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.959 0.007 18096 5273 1 8 . 1 1 18 18 CYS N N 18 113.411 113.411 118.276 -4.865 18096 5274 1 8 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.187 -0.236 18096 5275 1 8 . 1 1 18 18 CYS C C 18 177.617 177.617 176.994 0.623 18096 5276 1 8 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.239 1.249 18096 5277 1 8 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.376 -0.608 18096 5278 1 8 . 1 1 18 18 CYS H H 18 7.338 7.338 7.691 -0.353 18096 5279 1 8 . 1 1 19 19 VAL N N 19 121.720 121.720 118.071 3.649 18096 5280 1 8 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.943 -0.422 18096 5281 1 8 . 1 1 19 19 VAL C C 19 178.069 178.069 177.379 0.690 18096 5282 1 8 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.315 1.750 18096 5283 1 8 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.128 0.624 18096 5284 1 8 . 1 1 19 19 VAL H H 19 8.587 8.587 7.947 0.640 18096 5285 1 8 . 1 1 20 20 LEU N N 20 121.731 121.731 122.367 -0.636 18096 5286 1 8 . 1 1 20 20 LEU HA H 20 4.021 4.021 4.064 -0.043 18096 5287 1 8 . 1 1 20 20 LEU C C 20 177.989 177.989 178.505 -0.516 18096 5288 1 8 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.233 0.416 18096 5289 1 8 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.924 0.010 18096 5290 1 8 . 1 1 20 20 LEU H H 20 8.344 8.344 7.425 0.919 18096 5291 1 8 . 1 1 21 21 ILE N N 21 117.403 117.403 117.955 -0.552 18096 5292 1 8 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.582 0.087 18096 5293 1 8 . 1 1 21 21 ILE C C 21 176.947 176.947 178.054 -1.107 18096 5294 1 8 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.724 -0.368 18096 5295 1 8 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.638 0.280 18096 5296 1 8 . 1 1 21 21 ILE H H 21 8.371 8.371 8.642 -0.271 18096 5297 1 8 . 1 1 22 22 THR N N 22 115.544 115.544 115.217 0.327 18096 5298 1 8 . 1 1 22 22 THR HA H 22 3.681 3.681 4.040 -0.359 18096 5299 1 8 . 1 1 22 22 THR C C 22 176.073 176.073 176.912 -0.839 18096 5300 1 8 . 1 1 22 22 THR CA C 22 68.152 68.152 67.299 0.853 18096 5301 1 8 . 1 1 22 22 THR CB C 22 68.428 68.428 68.501 -0.073 18096 5302 1 8 . 1 1 22 22 THR H H 22 7.829 7.829 7.682 0.147 18096 5303 1 8 . 1 1 23 23 SER N N 23 116.192 116.192 117.292 -1.100 18096 5304 1 8 . 1 1 23 23 SER HA H 23 4.023 4.023 4.096 -0.073 18096 5305 1 8 . 1 1 23 23 SER C C 23 175.279 175.279 176.572 -1.293 18096 5306 1 8 . 1 1 23 23 SER CA C 23 63.884 63.884 62.053 1.831 18096 5307 1 8 . 1 1 23 23 SER CB C 23 62.971 62.971 62.882 0.089 18096 5308 1 8 . 1 1 23 23 SER H H 23 8.069 8.069 7.834 0.235 18096 5309 1 8 . 1 1 24 24 LEU N N 24 120.855 120.855 123.077 -2.222 18096 5310 1 8 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.082 -0.101 18096 5311 1 8 . 1 1 24 24 LEU C C 24 177.542 177.542 178.483 -0.941 18096 5312 1 8 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.853 0.183 18096 5313 1 8 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.860 0.081 18096 5314 1 8 . 1 1 24 24 LEU H H 24 7.858 7.858 7.335 0.523 18096 5315 1 8 . 1 1 25 25 ALA N N 25 119.507 119.507 121.632 -2.125 18096 5316 1 8 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.154 -0.214 18096 5317 1 8 . 1 1 25 25 ALA C C 25 177.915 177.915 180.161 -2.246 18096 5318 1 8 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.185 0.427 18096 5319 1 8 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.201 0.050 18096 5320 1 8 . 1 1 25 25 ALA H H 25 8.141 8.141 7.788 0.353 18096 5321 1 8 . 1 1 26 26 ILE N N 26 115.689 115.689 119.057 -3.368 18096 5322 1 8 . 1 1 26 26 ILE HA H 26 3.798 3.798 4.018 -0.220 18096 5323 1 8 . 1 1 26 26 ILE C C 26 177.729 177.729 178.120 -0.391 18096 5324 1 8 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.052 0.288 18096 5325 1 8 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.261 -0.431 18096 5326 1 8 . 1 1 26 26 ILE H H 26 8.012 8.012 7.658 0.354 18096 5327 1 8 . 1 1 27 27 LEU N N 27 118.567 118.567 120.719 -2.152 18096 5328 1 8 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.171 -0.165 18096 5329 1 8 . 1 1 27 27 LEU C C 27 178.364 178.364 178.873 -0.509 18096 5330 1 8 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.340 0.397 18096 5331 1 8 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.514 0.323 18096 5332 1 8 . 1 1 27 27 LEU H H 27 8.045 8.045 8.016 0.029 18096 5333 1 8 . 1 1 28 28 VAL N N 28 113.720 113.720 120.206 -6.486 18096 5334 1 8 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.673 -0.098 18096 5335 1 8 . 1 1 28 28 VAL C C 28 177.809 177.809 177.922 -0.113 18096 5336 1 8 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.602 -0.589 18096 5337 1 8 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.589 0.461 18096 5338 1 8 . 1 1 28 28 VAL H H 28 8.008 8.008 8.112 -0.104 18096 5339 1 8 . 1 1 29 29 PHE N N 29 115.458 115.458 117.262 -1.804 18096 5340 1 8 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.199 0.010 18096 5341 1 8 . 1 1 29 29 PHE C C 29 176.366 176.366 177.980 -1.614 18096 5342 1 8 . 1 1 29 29 PHE CA C 29 60.858 60.858 62.098 -1.240 18096 5343 1 8 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.085 0.512 18096 5344 1 8 . 1 1 29 29 PHE H H 29 7.915 7.915 7.620 0.295 18096 5345 1 8 . 1 1 30 30 TYR N N 30 115.649 115.649 117.204 -1.555 18096 5346 1 8 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.460 -0.219 18096 5347 1 8 . 1 1 30 30 TYR C C 30 175.388 175.388 176.538 -1.150 18096 5348 1 8 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.998 -1.612 18096 5349 1 8 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.448 0.192 18096 5350 1 8 . 1 1 30 30 TYR H H 30 8.002 8.002 7.615 0.387 18096 5351 1 8 . 1 1 31 31 LEU N N 31 121.144 121.144 121.413 -0.269 18096 5352 1 8 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.772 -0.324 18096 5353 1 8 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.136 2.013 18096 5354 1 8 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.383 -0.047 18096 5355 1 8 . 1 1 31 31 LEU H H 31 7.514 7.514 7.937 -0.423 18096 5356 1 8 . 1 1 32 32 PRO C C 32 176.530 176.530 176.761 -0.231 18096 5357 1 8 . 1 1 33 33 SER N N 33 115.448 115.448 120.417 -4.969 18096 5358 1 8 . 1 1 33 33 SER HA H 33 4.317 4.317 4.374 -0.057 18096 5359 1 8 . 1 1 33 33 SER C C 33 174.174 174.174 173.742 0.432 18096 5360 1 8 . 1 1 33 33 SER CA C 33 59.954 59.954 58.173 1.781 18096 5361 1 8 . 1 1 33 33 SER H H 33 8.370 8.370 8.546 -0.176 18096 5362 1 8 . 1 1 34 34 ASP N N 34 119.694 119.694 119.854 -0.160 18096 5363 1 8 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.450 0.135 18096 5364 1 8 . 1 1 34 34 ASP C C 34 175.971 175.971 175.201 0.770 18096 5365 1 8 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.979 -0.537 18096 5366 1 8 . 1 1 34 34 ASP CB C 34 41.240 41.240 39.917 1.323 18096 5367 1 8 . 1 1 34 34 ASP H H 34 8.209 8.209 8.352 -0.143 18096 5368 1 8 . 1 1 35 35 CYS N N 35 114.872 114.872 118.923 -4.051 18096 5369 1 8 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.617 -0.414 18096 5370 1 8 . 1 1 35 35 CYS C C 35 175.147 175.147 175.893 -0.746 18096 5371 1 8 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.948 2.173 18096 5372 1 8 . 1 1 35 35 CYS CB C 35 27.886 27.886 26.866 1.020 18096 5373 1 8 . 1 1 35 35 CYS H H 35 7.750 7.750 8.108 -0.358 18096 5374 1 8 . 1 1 36 36 GLY N N 36 110.059 110.059 109.578 0.481 18096 5375 1 8 . 1 1 36 36 GLY C C 36 174.391 174.391 175.131 -0.740 18096 5376 1 8 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.171 1.116 18096 5377 1 8 . 1 1 36 36 GLY H H 36 8.357 8.357 8.180 0.177 18096 5378 1 8 . 1 1 37 37 GLU N N 37 121.785 121.785 120.081 1.704 18096 5379 1 8 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.973 0.093 18096 5380 1 8 . 1 1 37 37 GLU C C 37 176.536 176.536 178.071 -1.535 18096 5381 1 8 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.835 -0.309 18096 5382 1 8 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.442 0.288 18096 5383 1 8 . 1 1 37 37 GLU H H 37 8.359 8.359 8.713 -0.354 18096 5384 1 8 . 1 1 38 38 LYS N N 38 123.927 123.927 119.289 4.638 18096 5385 1 8 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.947 0.176 18096 5386 1 8 . 1 1 38 38 LYS C C 38 177.544 177.544 178.968 -1.424 18096 5387 1 8 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.089 -0.520 18096 5388 1 8 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.631 0.046 18096 5389 1 8 . 1 1 38 38 LYS H H 38 8.226 8.226 8.400 -0.174 18096 5390 1 8 . 1 1 39 39 MET N N 39 117.932 117.932 117.164 0.768 18096 5391 1 8 . 1 1 39 39 MET HA H 39 4.135 4.135 4.232 -0.097 18096 5392 1 8 . 1 1 39 39 MET C C 39 178.602 178.602 178.655 -0.053 18096 5393 1 8 . 1 1 39 39 MET CA C 39 58.851 58.851 59.449 -0.598 18096 5394 1 8 . 1 1 39 39 MET CB C 39 32.220 32.220 32.419 -0.199 18096 5395 1 8 . 1 1 39 39 MET H H 39 8.262 8.262 7.873 0.389 18096 5396 1 8 . 1 1 40 40 THR N N 40 117.201 117.201 116.535 0.666 18096 5397 1 8 . 1 1 40 40 THR HA H 40 3.673 3.673 3.992 -0.319 18096 5398 1 8 . 1 1 40 40 THR C C 40 175.927 175.927 176.516 -0.589 18096 5399 1 8 . 1 1 40 40 THR CA C 40 67.352 67.352 66.696 0.656 18096 5400 1 8 . 1 1 40 40 THR H H 40 8.341 8.341 7.573 0.768 18096 5401 1 8 . 1 1 41 41 LEU N N 41 120.040 120.040 123.154 -3.114 18096 5402 1 8 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.111 -0.059 18096 5403 1 8 . 1 1 41 41 LEU C C 41 177.809 177.809 177.972 -0.163 18096 5404 1 8 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.216 0.171 18096 5405 1 8 . 1 1 41 41 LEU H H 41 8.181 8.181 8.209 -0.028 18096 5406 1 8 . 1 1 42 42 CYS N N 42 117.556 117.556 118.318 -0.762 18096 5407 1 8 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.092 -0.140 18096 5408 1 8 . 1 1 42 42 CYS C C 42 176.460 176.460 177.224 -0.764 18096 5409 1 8 . 1 1 42 42 CYS CA C 42 64.496 64.496 62.816 1.680 18096 5410 1 8 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.747 0.086 18096 5411 1 8 . 1 1 42 42 CYS H H 42 7.949 7.949 7.709 0.240 18096 5412 1 8 . 1 1 43 43 ILE N N 43 117.336 117.336 119.227 -1.891 18096 5413 1 8 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.720 -0.091 18096 5414 1 8 . 1 1 43 43 ILE C C 43 177.256 177.256 177.899 -0.643 18096 5415 1 8 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.632 0.443 18096 5416 1 8 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.784 0.160 18096 5417 1 8 . 1 1 43 43 ILE H H 43 8.347 8.347 7.583 0.764 18096 5418 1 8 . 1 1 44 44 SER N N 44 116.243 116.243 116.788 -0.545 18096 5419 1 8 . 1 1 44 44 SER HA H 44 4.083 4.083 4.240 -0.157 18096 5420 1 8 . 1 1 44 44 SER C C 44 176.305 176.305 176.397 -0.092 18096 5421 1 8 . 1 1 44 44 SER CA C 44 63.348 63.348 61.963 1.385 18096 5422 1 8 . 1 1 44 44 SER CB C 44 62.954 62.954 63.386 -0.432 18096 5423 1 8 . 1 1 44 44 SER H H 44 8.064 8.064 7.755 0.309 18096 5424 1 8 . 1 1 45 45 VAL N N 45 120.333 120.333 121.947 -1.614 18096 5425 1 8 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.834 -0.318 18096 5426 1 8 . 1 1 45 45 VAL C C 45 177.247 177.247 177.175 0.072 18096 5427 1 8 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.983 0.955 18096 5428 1 8 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.855 -0.095 18096 5429 1 8 . 1 1 45 45 VAL H H 45 8.036 8.036 8.518 -0.482 18096 5430 1 8 . 1 1 46 46 LEU N N 46 119.430 119.430 119.952 -0.522 18096 5431 1 8 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.222 -0.274 18096 5432 1 8 . 1 1 46 46 LEU C C 46 180.032 180.032 178.398 1.634 18096 5433 1 8 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.638 0.888 18096 5434 1 8 . 1 1 46 46 LEU CB C 46 41.985 41.985 42.052 -0.067 18096 5435 1 8 . 1 1 46 46 LEU H H 46 7.959 7.959 7.539 0.420 18096 5436 1 8 . 1 1 47 47 LEU N N 47 121.110 121.110 120.644 0.466 18096 5437 1 8 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.019 -0.021 18096 5438 1 8 . 1 1 47 47 LEU C C 47 177.985 177.985 178.226 -0.241 18096 5439 1 8 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.931 0.508 18096 5440 1 8 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.670 0.376 18096 5441 1 8 . 1 1 47 47 LEU H H 47 8.695 8.695 7.328 1.367 18096 5442 1 8 . 1 1 48 48 ALA N N 48 121.251 121.251 121.550 -0.299 18096 5443 1 8 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.016 -0.171 18096 5444 1 8 . 1 1 48 48 ALA C C 48 178.834 178.834 179.542 -0.708 18096 5445 1 8 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.298 0.411 18096 5446 1 8 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.212 -0.079 18096 5447 1 8 . 1 1 48 48 ALA H H 48 8.272 8.272 7.867 0.405 18096 5448 1 8 . 1 1 49 49 LEU N N 49 116.290 116.290 117.860 -1.570 18096 5449 1 8 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.169 -0.172 18096 5450 1 8 . 1 1 49 49 LEU C C 49 178.068 178.068 178.883 -0.815 18096 5451 1 8 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.891 0.417 18096 5452 1 8 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.047 -0.101 18096 5453 1 8 . 1 1 49 49 LEU H H 49 8.526 8.526 7.721 0.805 18096 5454 1 8 . 1 1 50 50 THR N N 50 115.495 115.495 116.556 -1.061 18096 5455 1 8 . 1 1 50 50 THR HA H 50 3.692 3.692 4.047 -0.355 18096 5456 1 8 . 1 1 50 50 THR C C 50 176.061 176.061 176.560 -0.499 18096 5457 1 8 . 1 1 50 50 THR CA C 50 68.786 68.786 67.058 1.728 18096 5458 1 8 . 1 1 50 50 THR H H 50 7.996 7.996 7.548 0.448 18096 5459 1 8 . 1 1 51 51 VAL N N 51 119.977 119.977 122.359 -2.382 18096 5460 1 8 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.631 -0.135 18096 5461 1 8 . 1 1 51 51 VAL C C 51 177.063 177.063 177.641 -0.578 18096 5462 1 8 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.686 0.677 18096 5463 1 8 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.396 0.222 18096 5464 1 8 . 1 1 51 51 VAL H H 51 8.145 8.145 7.765 0.380 18096 5465 1 8 . 1 1 52 52 PHE N N 52 118.836 118.836 117.557 1.279 18096 5466 1 8 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.178 -0.076 18096 5467 1 8 . 1 1 52 52 PHE C C 52 176.721 176.721 177.777 -1.056 18096 5468 1 8 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.966 -0.327 18096 5469 1 8 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.468 0.861 18096 5470 1 8 . 1 1 52 52 PHE H H 52 8.354 8.354 7.487 0.867 18096 5471 1 8 . 1 1 53 53 LEU N N 53 117.271 117.271 121.006 -3.735 18096 5472 1 8 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.950 -0.078 18096 5473 1 8 . 1 1 53 53 LEU C C 53 179.184 179.184 178.390 0.794 18096 5474 1 8 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.735 -0.878 18096 5475 1 8 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.960 0.035 18096 5476 1 8 . 1 1 53 53 LEU H H 53 8.438 8.438 7.975 0.463 18096 5477 1 8 . 1 1 54 54 LEU N N 54 119.310 119.310 117.920 1.390 18096 5478 1 8 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.967 0.040 18096 5479 1 8 . 1 1 54 54 LEU C C 54 179.224 179.224 179.481 -0.257 18096 5480 1 8 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.801 0.287 18096 5481 1 8 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.541 0.488 18096 5482 1 8 . 1 1 54 54 LEU H H 54 8.147 8.147 7.907 0.240 18096 5483 1 8 . 1 1 55 55 LEU N N 55 118.400 118.400 120.027 -1.627 18096 5484 1 8 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.922 0.178 18096 5485 1 8 . 1 1 55 55 LEU C C 55 178.974 178.974 178.786 0.188 18096 5486 1 8 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.304 -0.443 18096 5487 1 8 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.263 -0.291 18096 5488 1 8 . 1 1 55 55 LEU H H 55 8.096 8.096 7.311 0.785 18096 5489 1 8 . 1 1 56 56 ILE N N 56 115.919 115.919 115.789 0.130 18096 5490 1 8 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.080 -0.224 18096 5491 1 8 . 1 1 56 56 ILE C C 56 176.763 176.763 177.251 -0.488 18096 5492 1 8 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.218 0.293 18096 5493 1 8 . 1 1 56 56 ILE CB C 56 37.689 37.689 38.180 -0.491 18096 5494 1 8 . 1 1 56 56 ILE H H 56 8.028 8.028 7.639 0.389 18096 5495 1 8 . 1 1 57 57 SER N N 57 114.862 114.862 115.135 -0.273 18096 5496 1 8 . 1 1 57 57 SER HA H 57 4.178 4.178 4.185 -0.007 18096 5497 1 8 . 1 1 57 57 SER C C 57 175.258 175.258 175.993 -0.735 18096 5498 1 8 . 1 1 57 57 SER CA C 57 60.946 60.946 61.003 -0.057 18096 5499 1 8 . 1 1 57 57 SER CB C 57 63.558 63.558 63.389 0.169 18096 5500 1 8 . 1 1 57 57 SER H H 57 7.689 7.689 8.240 -0.551 18096 5501 1 8 . 1 1 58 58 LYS N N 58 118.080 118.080 120.929 -2.849 18096 5502 1 8 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.370 -0.083 18096 5503 1 8 . 1 1 58 58 LYS C C 58 176.668 176.668 176.471 0.197 18096 5504 1 8 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.517 -1.410 18096 5505 1 8 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.166 -2.102 18096 5506 1 8 . 1 1 58 58 LYS H H 58 7.595 7.595 7.532 0.063 18096 5507 1 8 . 1 1 59 59 ILE N N 59 116.926 116.926 120.465 -3.539 18096 5508 1 8 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.334 -0.300 18096 5509 1 8 . 1 1 59 59 ILE C C 59 175.226 175.226 175.264 -0.038 18096 5510 1 8 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.014 2.370 18096 5511 1 8 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.919 -2.845 18096 5512 1 8 . 1 1 59 59 ILE H H 59 7.706 7.706 7.540 0.166 18096 5513 1 8 . 1 1 60 60 VAL N N 60 119.235 119.235 122.995 -3.760 18096 5514 1 8 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.023 0.303 18096 5515 1 8 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.915 -1.168 18096 5516 1 8 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.580 1.686 18096 5517 1 8 . 1 1 60 60 VAL H H 60 7.586 7.586 8.368 -0.782 18096 5518 1 8 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.589 0.055 18096 5519 1 8 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.333 0.188 18096 5520 1 8 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.941 0.195 18096 5521 1 8 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.269 0.222 18096 5522 1 8 . 1 1 62 62 PRO C C 62 176.912 176.912 176.569 0.343 18096 5523 1 8 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.725 -1.482 18096 5524 1 8 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.310 0.568 18096 5525 1 8 . 1 1 63 63 THR N N 63 111.607 111.607 111.099 0.508 18096 5526 1 8 . 1 1 63 63 THR HA H 63 4.447 4.447 4.280 0.167 18096 5527 1 8 . 1 1 63 63 THR C C 63 174.725 174.725 174.416 0.309 18096 5528 1 8 . 1 1 63 63 THR CA C 63 61.245 61.245 62.619 -1.374 18096 5529 1 8 . 1 1 63 63 THR CB C 63 69.807 69.807 68.637 1.170 18096 5530 1 8 . 1 1 63 63 THR H H 63 7.915 7.915 7.727 0.188 18096 5531 1 8 . 1 1 64 64 SER N N 64 116.516 116.516 119.532 -3.016 18096 5532 1 8 . 1 1 64 64 SER HA H 64 4.411 4.411 4.225 0.186 18096 5533 1 8 . 1 1 64 64 SER C C 64 174.580 174.580 173.468 1.112 18096 5534 1 8 . 1 1 64 64 SER CA C 64 58.608 58.608 59.383 -0.775 18096 5535 1 8 . 1 1 64 64 SER CB C 64 63.742 63.742 63.486 0.256 18096 5536 1 8 . 1 1 64 64 SER H H 64 8.127 8.127 7.520 0.607 18096 5537 1 8 . 1 1 65 65 SER N N 65 116.921 116.921 120.847 -3.926 18096 5538 1 8 . 1 1 65 65 SER HA H 65 4.453 4.453 4.577 -0.124 18096 5539 1 8 . 1 1 65 65 SER C C 65 174.100 174.100 173.317 0.783 18096 5540 1 8 . 1 1 65 65 SER CA C 65 58.584 58.584 57.798 0.786 18096 5541 1 8 . 1 1 65 65 SER CB C 65 63.668 63.668 64.225 -0.557 18096 5542 1 8 . 1 1 65 65 SER H H 65 8.169 8.169 8.126 0.043 18096 5543 1 8 . 1 1 66 66 ASP N N 66 120.478 120.478 125.286 -4.808 18096 5544 1 8 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.409 0.215 18096 5545 1 8 . 1 1 66 66 ASP C C 66 175.730 175.730 175.098 0.632 18096 5546 1 8 . 1 1 66 66 ASP CA C 66 54.245 54.245 55.167 -0.923 18096 5547 1 8 . 1 1 66 66 ASP CB C 66 41.195 41.195 40.889 0.306 18096 5548 1 8 . 1 1 66 66 ASP H H 66 8.154 8.154 8.469 -0.315 18096 5549 1 8 . 1 1 67 67 SER N N 67 115.159 115.159 115.240 -0.081 18096 5550 1 8 . 1 1 67 67 SER HA H 67 4.528 4.528 4.283 0.245 18096 5551 1 8 . 1 1 67 67 SER CA C 67 56.493 56.493 58.237 -1.744 18096 5552 1 8 . 1 1 67 67 SER CB C 67 63.604 63.604 63.343 0.261 18096 5553 1 8 . 1 1 67 67 SER H H 67 7.930 7.930 8.360 -0.430 18096 5554 1 8 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.561 -0.166 18096 5555 1 8 . 1 1 68 68 PRO C C 68 176.652 176.652 177.319 -0.667 18096 5556 1 8 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.725 0.868 18096 5557 1 8 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.452 -1.100 18096 5558 1 8 . 1 1 69 69 SER N N 69 115.859 115.859 117.489 -1.630 18096 5559 1 8 . 1 1 69 69 SER HA H 69 4.436 4.436 4.445 -0.009 18096 5560 1 8 . 1 1 69 69 SER C C 69 174.611 174.611 176.206 -1.595 18096 5561 1 8 . 1 1 69 69 SER CA C 69 58.264 58.264 59.560 -1.296 18096 5562 1 8 . 1 1 69 69 SER CB C 69 63.919 63.919 62.659 1.260 18096 5563 1 8 . 1 1 69 69 SER H H 69 8.256 8.256 8.563 -0.307 18096 5564 1 8 . 1 1 70 70 VAL N N 70 117.241 117.241 118.987 -1.746 18096 5565 1 8 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.837 -0.035 18096 5566 1 8 . 1 1 70 70 VAL C C 70 177.772 177.772 177.563 0.209 18096 5567 1 8 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.722 0.922 18096 5568 1 8 . 1 1 70 70 VAL CB C 70 31.896 31.896 30.946 0.950 18096 5569 1 8 . 1 1 70 70 VAL H H 70 8.211 8.211 7.972 0.239 18096 5570 1 8 . 1 1 71 71 GLY N N 71 106.999 106.999 107.923 -0.924 18096 5571 1 8 . 1 1 71 71 GLY C C 71 175.551 175.551 175.683 -0.132 18096 5572 1 8 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.716 0.529 18096 5573 1 8 . 1 1 71 71 GLY H H 71 8.566 8.566 7.819 0.747 18096 5574 1 8 . 1 1 72 72 GLU N N 72 121.376 121.376 122.534 -1.158 18096 5575 1 8 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.902 -0.013 18096 5576 1 8 . 1 1 72 72 GLU C C 72 178.495 178.495 178.604 -0.109 18096 5577 1 8 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.490 0.628 18096 5578 1 8 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.329 0.261 18096 5579 1 8 . 1 1 72 72 GLU H H 72 7.919 7.919 8.209 -0.290 18096 5580 1 8 . 1 1 73 73 TYR N N 73 117.643 117.643 121.119 -3.476 18096 5581 1 8 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.090 -0.028 18096 5582 1 8 . 1 1 73 73 TYR C C 73 179.921 179.921 178.053 1.868 18096 5583 1 8 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.938 0.192 18096 5584 1 8 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.531 0.386 18096 5585 1 8 . 1 1 73 73 TYR H H 73 8.095 8.095 8.692 -0.597 18096 5586 1 8 . 1 1 74 74 LEU N N 74 121.712 121.712 118.993 2.719 18096 5587 1 8 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.131 -0.068 18096 5588 1 8 . 1 1 74 74 LEU C C 74 178.385 178.385 179.230 -0.845 18096 5589 1 8 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.350 1.124 18096 5590 1 8 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.105 0.833 18096 5591 1 8 . 1 1 74 74 LEU H H 74 8.615 8.615 7.742 0.873 18096 5592 1 8 . 1 1 75 75 MET N N 75 119.087 119.087 120.289 -1.202 18096 5593 1 8 . 1 1 75 75 MET HA H 75 4.056 4.056 4.119 -0.063 18096 5594 1 8 . 1 1 75 75 MET C C 75 177.851 177.851 178.700 -0.849 18096 5595 1 8 . 1 1 75 75 MET CA C 75 59.166 59.166 59.260 -0.094 18096 5596 1 8 . 1 1 75 75 MET CB C 75 32.093 32.093 32.512 -0.419 18096 5597 1 8 . 1 1 75 75 MET H H 75 8.362 8.362 8.206 0.156 18096 5598 1 8 . 1 1 76 76 PHE N N 76 117.788 117.788 117.529 0.259 18096 5599 1 8 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.244 -0.139 18096 5600 1 8 . 1 1 76 76 PHE C C 76 177.305 177.305 177.839 -0.534 18096 5601 1 8 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.654 0.722 18096 5602 1 8 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.331 0.630 18096 5603 1 8 . 1 1 76 76 PHE H H 76 8.471 8.471 8.676 -0.205 18096 5604 1 8 . 1 1 77 77 THR N N 77 115.298 115.298 117.337 -2.039 18096 5605 1 8 . 1 1 77 77 THR HA H 77 3.673 3.673 3.868 -0.195 18096 5606 1 8 . 1 1 77 77 THR C C 77 176.057 176.057 176.787 -0.730 18096 5607 1 8 . 1 1 77 77 THR CA C 77 68.423 68.423 67.367 1.056 18096 5608 1 8 . 1 1 77 77 THR CB C 77 68.204 68.204 68.897 -0.693 18096 5609 1 8 . 1 1 77 77 THR H H 77 8.179 8.179 7.950 0.229 18096 5610 1 8 . 1 1 78 78 MET N N 78 119.204 119.204 120.288 -1.084 18096 5611 1 8 . 1 1 78 78 MET HA H 78 4.092 4.092 4.196 -0.104 18096 5612 1 8 . 1 1 78 78 MET C C 78 179.421 179.421 178.499 0.922 18096 5613 1 8 . 1 1 78 78 MET CA C 78 58.810 58.810 58.378 0.432 18096 5614 1 8 . 1 1 78 78 MET CB C 78 32.176 32.176 31.699 0.477 18096 5615 1 8 . 1 1 78 78 MET H H 78 8.310 8.310 8.059 0.251 18096 5616 1 8 . 1 1 79 79 VAL N N 79 122.115 122.115 119.830 2.285 18096 5617 1 8 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.647 -0.155 18096 5618 1 8 . 1 1 79 79 VAL C C 79 176.866 176.866 178.384 -1.518 18096 5619 1 8 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.956 0.418 18096 5620 1 8 . 1 1 79 79 VAL CB C 79 31.615 31.615 30.947 0.668 18096 5621 1 8 . 1 1 79 79 VAL H H 79 8.239 8.239 7.639 0.600 18096 5622 1 8 . 1 1 80 80 LEU N N 80 120.240 120.240 119.747 0.493 18096 5623 1 8 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.941 -0.002 18096 5624 1 8 . 1 1 80 80 LEU C C 80 180.078 180.078 179.004 1.074 18096 5625 1 8 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.197 0.400 18096 5626 1 8 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.918 0.023 18096 5627 1 8 . 1 1 80 80 LEU H H 80 8.058 8.058 7.604 0.454 18096 5628 1 8 . 1 1 81 81 VAL N N 81 120.008 120.008 119.751 0.257 18096 5629 1 8 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.533 -0.075 18096 5630 1 8 . 1 1 81 81 VAL C C 81 177.670 177.670 178.045 -0.375 18096 5631 1 8 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.379 -0.042 18096 5632 1 8 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.529 0.086 18096 5633 1 8 . 1 1 81 81 VAL H H 81 8.800 8.800 8.725 0.075 18096 5634 1 8 . 1 1 82 82 THR N N 82 116.872 116.872 116.623 0.249 18096 5635 1 8 . 1 1 82 82 THR HA H 82 3.676 3.676 4.078 -0.402 18096 5636 1 8 . 1 1 82 82 THR C C 82 176.268 176.268 176.479 -0.211 18096 5637 1 8 . 1 1 82 82 THR CA C 82 68.590 68.590 67.064 1.526 18096 5638 1 8 . 1 1 82 82 THR CB C 82 68.468 68.468 68.761 -0.293 18096 5639 1 8 . 1 1 82 82 THR H H 82 8.109 8.109 8.483 -0.374 18096 5640 1 8 . 1 1 83 83 PHE N N 83 119.777 119.777 121.134 -1.357 18096 5641 1 8 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.278 -0.197 18096 5642 1 8 . 1 1 83 83 PHE C C 83 178.015 178.015 177.911 0.104 18096 5643 1 8 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.292 0.320 18096 5644 1 8 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.413 0.273 18096 5645 1 8 . 1 1 83 83 PHE H H 83 8.754 8.754 7.879 0.875 18096 5646 1 8 . 1 1 84 84 SER N N 84 117.769 117.769 115.462 2.307 18096 5647 1 8 . 1 1 84 84 SER HA H 84 4.091 4.091 4.232 -0.141 18096 5648 1 8 . 1 1 84 84 SER C C 84 175.899 175.899 176.608 -0.709 18096 5649 1 8 . 1 1 84 84 SER CA C 84 63.269 63.269 62.751 0.518 18096 5650 1 8 . 1 1 84 84 SER CB C 84 62.962 62.962 63.348 -0.386 18096 5651 1 8 . 1 1 84 84 SER H H 84 8.335 8.335 8.358 -0.023 18096 5652 1 8 . 1 1 85 85 ILE N N 85 122.986 122.986 121.815 1.171 18096 5653 1 8 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.769 -0.120 18096 5654 1 8 . 1 1 85 85 ILE C C 85 177.778 177.778 177.817 -0.039 18096 5655 1 8 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.393 1.111 18096 5656 1 8 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.687 1.428 18096 5657 1 8 . 1 1 85 85 ILE H H 85 8.187 8.187 7.946 0.241 18096 5658 1 8 . 1 1 86 86 VAL N N 86 117.289 117.289 118.880 -1.591 18096 5659 1 8 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.643 -0.134 18096 5660 1 8 . 1 1 86 86 VAL C C 86 177.816 177.816 178.254 -0.438 18096 5661 1 8 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.338 -0.291 18096 5662 1 8 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.918 0.679 18096 5663 1 8 . 1 1 86 86 VAL H H 86 8.367 8.367 7.858 0.509 18096 5664 1 8 . 1 1 87 87 THR N N 87 116.788 116.788 115.531 1.257 18096 5665 1 8 . 1 1 87 87 THR HA H 87 3.758 3.758 3.982 -0.224 18096 5666 1 8 . 1 1 87 87 THR C C 87 176.095 176.095 176.729 -0.634 18096 5667 1 8 . 1 1 87 87 THR CA C 87 67.248 67.248 66.194 1.054 18096 5668 1 8 . 1 1 87 87 THR H H 87 8.007 8.007 7.507 0.500 18096 5669 1 8 . 1 1 88 88 SER N N 88 116.157 116.157 118.010 -1.853 18096 5670 1 8 . 1 1 88 88 SER HA H 88 4.018 4.018 4.275 -0.257 18096 5671 1 8 . 1 1 88 88 SER C C 88 174.932 174.932 176.232 -1.300 18096 5672 1 8 . 1 1 88 88 SER CA C 88 62.717 62.717 61.498 1.219 18096 5673 1 8 . 1 1 88 88 SER CB C 88 62.954 62.954 62.953 0.001 18096 5674 1 8 . 1 1 88 88 SER H H 88 7.662 7.662 7.771 -0.108 18096 5675 1 8 . 1 1 89 89 VAL N N 89 117.956 117.956 121.067 -3.111 18096 5676 1 8 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.875 -0.359 18096 5677 1 8 . 1 1 89 89 VAL CA C 89 67.266 67.266 64.355 2.911 18096 5678 1 8 . 1 1 89 89 VAL H H 89 8.274 8.274 7.705 0.569 18096 5679 1 8 . 1 1 90 90 CYS N N 90 116.319 116.319 118.073 -1.754 18096 5680 1 8 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.140 0.089 18096 5681 1 8 . 1 1 90 90 CYS C C 90 175.174 175.174 176.179 -1.005 18096 5682 1 8 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.411 -0.793 18096 5683 1 8 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.333 -0.542 18096 5684 1 8 . 1 1 90 90 CYS H H 90 7.654 7.654 7.460 0.194 18096 5685 1 8 . 1 1 91 91 VAL N N 91 115.534 115.534 118.444 -2.910 18096 5686 1 8 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.834 -0.208 18096 5687 1 8 . 1 1 91 91 VAL C C 91 176.038 176.038 177.554 -1.516 18096 5688 1 8 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.112 -1.504 18096 5689 1 8 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.063 -0.141 18096 5690 1 8 . 1 1 91 91 VAL H H 91 7.760 7.760 7.948 -0.188 18096 5691 1 8 . 1 1 92 92 LEU N N 92 119.713 119.713 120.598 -0.885 18096 5692 1 8 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.188 0.052 18096 5693 1 8 . 1 1 92 92 LEU C C 92 176.769 176.769 176.663 0.106 18096 5694 1 8 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.582 -0.992 18096 5695 1 8 . 1 1 92 92 LEU CB C 92 41.932 41.932 43.170 -1.238 18096 5696 1 8 . 1 1 92 92 LEU H H 92 7.732 7.732 7.455 0.277 18096 5697 1 8 . 1 1 93 93 ASN N N 93 117.817 117.817 114.367 3.450 18096 5698 1 8 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.829 -0.153 18096 5699 1 8 . 1 1 93 93 ASN C C 93 174.955 174.955 172.930 2.025 18096 5700 1 8 . 1 1 93 93 ASN CA C 93 53.255 53.255 53.440 -0.185 18096 5701 1 8 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.320 -0.812 18096 5702 1 8 . 1 1 93 93 ASN H H 93 7.916 7.916 7.806 0.110 18096 5703 1 8 . 1 1 94 94 VAL N N 94 118.650 118.650 125.231 -6.581 18096 5704 1 8 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.406 -0.382 18096 5705 1 8 . 1 1 94 94 VAL C C 94 175.740 175.740 174.477 1.263 18096 5706 1 8 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.770 0.762 18096 5707 1 8 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.172 -1.540 18096 5708 1 8 . 1 1 94 94 VAL H H 94 7.730 7.730 7.969 -0.239 18096 5709 1 8 . 1 1 95 95 HIS N N 95 121.293 121.293 124.559 -3.266 18096 5710 1 8 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.601 0.018 18096 5711 1 8 . 1 1 95 95 HIS C C 95 174.146 174.146 174.420 -0.274 18096 5712 1 8 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.481 -0.899 18096 5713 1 8 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.084 -1.329 18096 5714 1 8 . 1 1 95 95 HIS H H 95 8.341 8.341 8.606 -0.265 18096 5715 1 8 . 1 1 96 96 HIS N N 96 122.728 122.728 119.867 2.861 18096 5716 1 8 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.762 -0.127 18096 5717 1 8 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.136 -0.554 18096 5718 1 8 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.867 -0.094 18096 5719 1 8 . 1 1 96 96 HIS H H 96 8.333 8.333 8.460 -0.127 18096 5720 1 8 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.489 -0.194 18096 5721 1 8 . 1 1 97 97 ARG C C 97 175.776 175.776 175.028 0.748 18096 5722 1 8 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.118 0.112 18096 5723 1 8 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.860 0.170 18096 5724 1 8 . 1 1 98 98 SER N N 98 118.439 118.439 114.773 3.666 18096 5725 1 8 . 1 1 98 98 SER HA H 98 4.736 4.736 4.925 -0.189 18096 5726 1 8 . 1 1 98 98 SER CA C 98 56.614 56.614 55.671 0.943 18096 5727 1 8 . 1 1 98 98 SER CB C 98 63.622 63.622 63.709 -0.086 18096 5728 1 8 . 1 1 98 98 SER H H 98 8.250 8.250 7.972 0.278 18096 5729 1 8 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.442 -0.048 18096 5730 1 8 . 1 1 99 99 PRO C C 99 176.879 176.879 177.102 -0.223 18096 5731 1 8 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.093 -0.396 18096 5732 1 8 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.252 -0.206 18096 5733 1 8 . 1 1 100 100 GLU N N 100 120.297 120.297 119.562 0.735 18096 5734 1 8 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.481 -0.182 18096 5735 1 8 . 1 1 100 100 GLU C C 100 176.576 176.576 176.043 0.533 18096 5736 1 8 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.653 0.814 18096 5737 1 8 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.143 -1.199 18096 5738 1 8 . 1 1 100 100 GLU H H 100 8.391 8.391 8.141 0.250 18096 5739 1 8 . 1 1 101 101 THR N N 101 114.144 114.144 117.819 -3.675 18096 5740 1 8 . 1 1 101 101 THR HA H 101 4.280 4.280 4.374 -0.094 18096 5741 1 8 . 1 1 101 101 THR C C 101 174.515 174.515 174.172 0.343 18096 5742 1 8 . 1 1 101 101 THR CA C 101 61.975 61.975 62.362 -0.387 18096 5743 1 8 . 1 1 101 101 THR CB C 101 69.817 69.817 68.850 0.967 18096 5744 1 8 . 1 1 101 101 THR H H 101 7.946 7.946 8.500 -0.554 18096 5745 1 8 . 1 1 102 102 HIS N N 102 120.429 120.429 128.603 -8.174 18096 5746 1 8 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.807 -0.057 18096 5747 1 8 . 1 1 102 102 HIS C C 102 174.764 174.764 173.989 0.775 18096 5748 1 8 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.890 -0.205 18096 5749 1 8 . 1 1 102 102 HIS CB C 102 29.245 29.245 29.861 -0.616 18096 5750 1 8 . 1 1 102 102 HIS H H 102 8.459 8.459 8.498 -0.039 18096 5751 1 8 . 1 1 103 103 THR N N 103 114.319 114.319 118.278 -3.959 18096 5752 1 8 . 1 1 103 103 THR HA H 103 4.345 4.345 4.337 0.008 18096 5753 1 8 . 1 1 103 103 THR C C 103 175.087 175.087 174.527 0.560 18096 5754 1 8 . 1 1 103 103 THR CA C 103 61.976 61.976 60.641 1.335 18096 5755 1 8 . 1 1 103 103 THR CB C 103 69.831 69.831 70.016 -0.185 18096 5756 1 8 . 1 1 103 103 THR H H 103 8.068 8.068 8.162 -0.094 18096 5757 1 8 . 1 1 104 104 GLY N N 104 111.143 111.143 109.619 1.524 18096 5758 1 8 . 1 1 104 104 GLY C C 104 174.757 174.757 174.374 0.383 18096 5759 1 8 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.717 0.885 18096 5760 1 8 . 1 1 104 104 GLY H H 104 8.389 8.389 8.187 0.202 18096 5761 1 8 . 1 1 105 105 GLY N N 105 108.642 108.642 109.302 -0.660 18096 5762 1 8 . 1 1 105 105 GLY C C 105 174.892 174.892 174.877 0.015 18096 5763 1 8 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.563 1.039 18096 5764 1 8 . 1 1 105 105 GLY H H 105 8.272 8.272 8.005 0.267 18096 5765 1 8 . 1 1 106 106 GLY N N 106 108.820 108.820 107.182 1.638 18096 5766 1 8 . 1 1 106 106 GLY C C 106 174.886 174.886 174.841 0.045 18096 5767 1 8 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.516 1.086 18096 5768 1 8 . 1 1 106 106 GLY H H 106 8.359 8.359 8.116 0.243 18096 5769 1 8 . 1 1 107 107 GLY N N 107 108.550 108.550 105.790 2.760 18096 5770 1 8 . 1 1 107 107 GLY C C 107 174.886 174.886 175.717 -0.831 18096 5771 1 8 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.036 0.566 18096 5772 1 8 . 1 1 107 107 GLY H H 107 8.338 8.338 8.268 0.070 18096 5773 1 8 . 1 1 108 108 GLY N N 108 108.519 108.519 109.900 -1.381 18096 5774 1 8 . 1 1 108 108 GLY C C 108 175.411 175.411 175.153 0.258 18096 5775 1 8 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.357 1.450 18096 5776 1 8 . 1 1 108 108 GLY H H 108 8.336 8.336 8.131 0.205 18096 5777 1 8 . 1 1 109 109 ILE N N 109 120.914 120.914 121.855 -0.941 18096 5778 1 8 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.824 0.152 18096 5779 1 8 . 1 1 109 109 ILE C C 109 176.019 176.019 176.033 -0.014 18096 5780 1 8 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.214 -1.287 18096 5781 1 8 . 1 1 109 109 ILE CB C 109 38.073 38.073 38.008 0.065 18096 5782 1 8 . 1 1 109 109 ILE H H 109 8.233 8.233 7.984 0.249 18096 5783 1 8 . 1 1 110 110 ASP N N 110 121.149 121.149 119.958 1.191 18096 5784 1 8 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.369 -0.117 18096 5785 1 8 . 1 1 110 110 ASP C C 110 177.648 177.648 178.792 -1.144 18096 5786 1 8 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.825 -1.024 18096 5787 1 8 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.762 0.419 18096 5788 1 8 . 1 1 110 110 ASP H H 110 8.369 8.369 8.687 -0.318 18096 5789 1 8 . 1 1 111 111 ARG N N 111 119.198 119.198 119.799 -0.601 18096 5790 1 8 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.219 -0.230 18096 5791 1 8 . 1 1 111 111 ARG C C 111 177.502 177.502 178.763 -1.261 18096 5792 1 8 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.554 0.166 18096 5793 1 8 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.058 0.045 18096 5794 1 8 . 1 1 111 111 ARG H H 111 7.835 7.835 8.201 -0.366 18096 5795 1 8 . 1 1 112 112 LEU N N 112 118.935 118.935 121.706 -2.771 18096 5796 1 8 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.145 -0.142 18096 5797 1 8 . 1 1 112 112 LEU C C 112 178.356 178.356 178.178 0.178 18096 5798 1 8 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.897 -0.662 18096 5799 1 8 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.070 -0.327 18096 5800 1 8 . 1 1 112 112 LEU H H 112 7.783 7.783 8.253 -0.470 18096 5801 1 8 . 1 1 113 113 PHE N N 113 116.117 116.117 119.124 -3.007 18096 5802 1 8 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.221 -0.137 18096 5803 1 8 . 1 1 113 113 PHE C C 113 177.092 177.092 177.549 -0.457 18096 5804 1 8 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.310 1.082 18096 5805 1 8 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.153 -0.262 18096 5806 1 8 . 1 1 113 113 PHE H H 113 8.072 8.072 8.219 -0.147 18096 5807 1 8 . 1 1 114 114 LEU N N 114 118.710 118.710 119.735 -1.025 18096 5808 1 8 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.048 -0.047 18096 5809 1 8 . 1 1 114 114 LEU C C 114 178.210 178.210 178.693 -0.483 18096 5810 1 8 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.394 0.115 18096 5811 1 8 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.011 0.773 18096 5812 1 8 . 1 1 114 114 LEU H H 114 7.881 7.881 7.672 0.209 18096 5813 1 8 . 1 1 115 115 TRP N N 115 117.801 117.801 121.961 -4.160 18096 5814 1 8 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.318 -0.036 18096 5815 1 8 . 1 1 115 115 TRP C C 115 178.536 178.536 178.755 -0.219 18096 5816 1 8 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.520 -0.776 18096 5817 1 8 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.275 -0.150 18096 5818 1 8 . 1 1 115 115 TRP H H 115 7.925 7.925 8.201 -0.276 18096 5819 1 8 . 1 1 116 116 ILE N N 116 118.212 118.212 115.930 2.282 18096 5820 1 8 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.400 0.294 18096 5821 1 8 . 1 1 116 116 ILE C C 116 177.423 177.423 177.396 0.027 18096 5822 1 8 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.384 1.603 18096 5823 1 8 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.386 0.765 18096 5824 1 8 . 1 1 116 116 ILE H H 116 8.355 8.355 7.856 0.499 18096 5825 1 8 . 1 1 117 117 PHE N N 117 119.509 119.509 122.104 -2.595 18096 5826 1 8 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.172 -0.078 18096 5827 1 8 . 1 1 117 117 PHE C C 117 177.389 177.389 176.429 0.960 18096 5828 1 8 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.607 1.338 18096 5829 1 8 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.955 -0.016 18096 5830 1 8 . 1 1 117 117 PHE H H 117 8.419 8.419 7.354 1.065 18096 5831 1 8 . 1 1 118 118 VAL N N 118 118.927 118.927 119.900 -0.973 18096 5832 1 8 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.347 0.163 18096 5833 1 8 . 1 1 118 118 VAL C C 118 177.452 177.452 177.941 -0.489 18096 5834 1 8 . 1 1 118 118 VAL CA C 118 67.440 67.440 65.589 1.851 18096 5835 1 8 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.944 0.518 18096 5836 1 8 . 1 1 118 118 VAL H H 118 8.509 8.509 8.240 0.269 18096 5837 1 8 . 1 1 119 119 PHE N N 119 118.638 118.638 120.653 -2.015 18096 5838 1 8 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.031 0.009 18096 5839 1 8 . 1 1 119 119 PHE C C 119 177.403 177.403 176.989 0.414 18096 5840 1 8 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.302 0.301 18096 5841 1 8 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.809 0.336 18096 5842 1 8 . 1 1 119 119 PHE H H 119 8.477 8.477 7.793 0.684 18096 5843 1 8 . 1 1 120 120 VAL N N 120 118.660 118.660 119.266 -0.606 18096 5844 1 8 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.742 -0.275 18096 5845 1 8 . 1 1 120 120 VAL C C 120 177.851 177.851 177.269 0.582 18096 5846 1 8 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.786 1.650 18096 5847 1 8 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.815 -0.156 18096 5848 1 8 . 1 1 120 120 VAL H H 120 8.705 8.705 7.616 1.089 18096 5849 1 8 . 1 1 121 121 CYS N N 121 117.055 117.055 116.565 0.490 18096 5850 1 8 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.263 -0.361 18096 5851 1 8 . 1 1 121 121 CYS C C 121 177.629 177.629 175.456 2.173 18096 5852 1 8 . 1 1 121 121 CYS CA C 121 64.339 64.339 60.445 3.894 18096 5853 1 8 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.139 0.650 18096 5854 1 8 . 1 1 121 121 CYS H H 121 7.981 7.981 7.418 0.563 18096 5855 1 8 . 1 1 122 122 VAL N N 122 120.422 120.422 120.255 0.167 18096 5856 1 8 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.790 -0.311 18096 5857 1 8 . 1 1 122 122 VAL C C 122 176.923 176.923 177.782 -0.859 18096 5858 1 8 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.128 1.133 18096 5859 1 8 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.646 0.480 18096 5860 1 8 . 1 1 122 122 VAL H H 122 8.487 8.487 7.227 1.260 18096 5861 1 8 . 1 1 123 123 PHE N N 123 117.927 117.927 120.304 -2.377 18096 5862 1 8 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.060 -0.026 18096 5863 1 8 . 1 1 123 123 PHE C C 123 178.151 178.151 177.605 0.546 18096 5864 1 8 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.741 0.353 18096 5865 1 8 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.605 0.032 18096 5866 1 8 . 1 1 123 123 PHE H H 123 8.630 8.630 8.496 0.134 18096 5867 1 8 . 1 1 124 124 GLY N N 124 106.539 106.539 105.317 1.222 18096 5868 1 8 . 1 1 124 124 GLY C C 124 174.290 174.290 175.535 -1.245 18096 5869 1 8 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.198 0.353 18096 5870 1 8 . 1 1 124 124 GLY H H 124 8.689 8.689 7.874 0.815 18096 5871 1 8 . 1 1 125 125 THR N N 125 117.059 117.059 119.386 -2.327 18096 5872 1 8 . 1 1 125 125 THR HA H 125 3.649 3.649 3.844 -0.195 18096 5873 1 8 . 1 1 125 125 THR C C 125 176.231 176.231 176.693 -0.462 18096 5874 1 8 . 1 1 125 125 THR CA C 125 67.989 67.989 66.668 1.321 18096 5875 1 8 . 1 1 125 125 THR H H 125 7.553 7.553 7.293 0.260 18096 5876 1 8 . 1 1 126 126 ILE N N 126 119.538 119.538 120.819 -1.281 18096 5877 1 8 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.591 0.057 18096 5878 1 8 . 1 1 126 126 ILE C C 126 177.976 177.976 177.966 0.010 18096 5879 1 8 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.777 0.938 18096 5880 1 8 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.590 0.240 18096 5881 1 8 . 1 1 126 126 ILE H H 126 8.003 8.003 8.069 -0.066 18096 5882 1 8 . 1 1 127 127 GLY N N 127 105.404 105.404 107.702 -2.298 18096 5883 1 8 . 1 1 127 127 GLY C C 127 174.597 174.597 176.530 -1.933 18096 5884 1 8 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.974 0.595 18096 5885 1 8 . 1 1 127 127 GLY H H 127 8.438 8.438 7.793 0.645 18096 5886 1 8 . 1 1 128 128 MET N N 128 117.893 117.893 119.329 -1.436 18096 5887 1 8 . 1 1 128 128 MET HA H 128 4.153 4.153 4.274 -0.121 18096 5888 1 8 . 1 1 128 128 MET C C 128 177.815 177.815 177.828 -0.013 18096 5889 1 8 . 1 1 128 128 MET CA C 128 58.198 58.198 57.777 0.421 18096 5890 1 8 . 1 1 128 128 MET CB C 128 32.113 32.113 32.437 -0.324 18096 5891 1 8 . 1 1 128 128 MET H H 128 7.821 7.821 7.519 0.302 18096 5892 1 8 . 1 1 129 129 PHE N N 129 116.018 116.018 120.930 -4.912 18096 5893 1 8 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.305 -0.171 18096 5894 1 8 . 1 1 129 129 PHE C C 129 175.863 175.863 175.522 0.341 18096 5895 1 8 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.401 -0.586 18096 5896 1 8 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.501 -0.410 18096 5897 1 8 . 1 1 129 129 PHE H H 129 7.797 7.797 7.868 -0.071 18096 5898 1 8 . 1 1 130 130 LEU N N 130 115.806 115.806 116.990 -1.184 18096 5899 1 8 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.187 0.151 18096 5900 1 8 . 1 1 130 130 LEU C C 130 177.219 177.219 177.436 -0.217 18096 5901 1 8 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.562 0.905 18096 5902 1 8 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.885 0.539 18096 5903 1 8 . 1 1 130 130 LEU H H 130 7.745 7.745 7.541 0.204 18096 5904 1 8 . 1 1 131 131 GLN N N 131 118.630 118.630 119.690 -1.060 18096 5905 1 8 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.130 -0.026 18096 5906 1 8 . 1 1 131 131 GLN CA C 131 60.319 60.319 57.933 2.386 18096 5907 1 8 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.521 -0.700 18096 5908 1 8 . 1 1 131 131 GLN H H 131 7.808 7.808 7.317 0.491 18096 5909 1 8 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.361 0.012 18096 5910 1 8 . 1 1 132 132 PRO C C 132 177.739 177.739 177.054 0.685 18096 5911 1 8 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.481 2.902 18096 5912 1 8 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.220 -0.694 18096 5913 1 8 . 1 1 133 133 LEU N N 133 115.632 115.632 117.353 -1.721 18096 5914 1 8 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.202 -0.138 18096 5915 1 8 . 1 1 133 133 LEU C C 133 176.918 176.918 176.200 0.718 18096 5916 1 8 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.438 -0.037 18096 5917 1 8 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.363 -0.374 18096 5918 1 8 . 1 1 133 133 LEU H H 133 7.689 7.689 8.470 -0.781 18096 5919 1 8 . 1 1 134 134 PHE N N 134 114.807 114.807 115.749 -0.942 18096 5920 1 8 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.667 -0.138 18096 5921 1 8 . 1 1 134 134 PHE C C 134 175.245 175.245 175.325 -0.080 18096 5922 1 8 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.345 0.393 18096 5923 1 8 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.406 -0.797 18096 5924 1 8 . 1 1 134 134 PHE H H 134 7.679 7.679 7.247 0.432 18096 5925 1 8 . 1 1 135 135 GLN N N 135 118.318 118.318 119.895 -1.577 18096 5926 1 8 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.106 0.209 18096 5927 1 8 . 1 1 135 135 GLN C C 135 175.361 175.361 175.245 0.116 18096 5928 1 8 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.687 -1.580 18096 5929 1 8 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.074 0.792 18096 5930 1 8 . 1 1 135 135 GLN H H 135 7.651 7.651 8.877 -1.226 18096 5931 1 8 . 1 1 136 136 GLU N N 136 120.684 120.684 119.288 1.396 18096 5932 1 8 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.252 0.059 18096 5933 1 8 . 1 1 136 136 GLU C C 136 175.153 175.153 175.621 -0.468 18096 5934 1 8 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.969 -0.494 18096 5935 1 8 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.015 1.217 18096 5936 1 8 . 1 1 136 136 GLU H H 136 8.109 8.109 8.524 -0.415 18096 5937 1 9 . 1 1 3 3 ALA N N 3 124.656 124.656 121.420 3.236 18096 5938 1 9 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.525 -0.319 18096 5939 1 9 . 1 1 3 3 ALA C C 3 178.133 178.133 177.445 0.688 18096 5940 1 9 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.312 1.373 18096 5941 1 9 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.113 -0.030 18096 5942 1 9 . 1 1 3 3 ALA H H 3 8.402 8.402 8.498 -0.096 18096 5943 1 9 . 1 1 4 4 GLU N N 4 117.439 117.439 120.944 -3.505 18096 5944 1 9 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.395 -0.266 18096 5945 1 9 . 1 1 4 4 GLU C C 4 176.534 176.534 175.262 1.272 18096 5946 1 9 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.019 1.405 18096 5947 1 9 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.668 0.216 18096 5948 1 9 . 1 1 4 4 GLU H H 4 8.219 8.219 8.597 -0.378 18096 5949 1 9 . 1 1 5 5 GLU N N 5 118.815 118.815 119.173 -0.358 18096 5950 1 9 . 1 1 5 5 GLU HA H 5 4.211 4.211 3.999 0.212 18096 5951 1 9 . 1 1 5 5 GLU C C 5 176.604 176.604 175.448 1.156 18096 5952 1 9 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.483 -0.532 18096 5953 1 9 . 1 1 5 5 GLU CB C 5 29.962 29.962 28.923 1.039 18096 5954 1 9 . 1 1 5 5 GLU H H 5 7.992 7.992 8.567 -0.575 18096 5955 1 9 . 1 1 6 6 GLU N N 6 121.446 121.446 122.518 -1.072 18096 5956 1 9 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.382 -0.198 18096 5957 1 9 . 1 1 6 6 GLU CA C 6 57.421 57.421 56.743 0.678 18096 5958 1 9 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.891 0.092 18096 5959 1 9 . 1 1 6 6 GLU H H 6 8.148 8.148 8.364 -0.216 18096 5960 1 9 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.507 -0.244 18096 5961 1 9 . 1 1 7 7 PRO C C 7 178.717 178.717 178.076 0.641 18096 5962 1 9 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.926 0.603 18096 5963 1 9 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.646 -0.323 18096 5964 1 9 . 1 1 8 8 LEU N N 8 119.642 119.642 119.221 0.421 18096 5965 1 9 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.264 -0.312 18096 5966 1 9 . 1 1 8 8 LEU C C 8 177.905 177.905 178.838 -0.933 18096 5967 1 9 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.712 0.219 18096 5968 1 9 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.246 0.527 18096 5969 1 9 . 1 1 8 8 LEU H H 8 8.222 8.222 8.205 0.017 18096 5970 1 9 . 1 1 9 9 PHE N N 9 118.625 118.625 117.113 1.512 18096 5971 1 9 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.290 -0.118 18096 5972 1 9 . 1 1 9 9 PHE C C 9 177.620 177.620 177.557 0.063 18096 5973 1 9 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.176 -0.104 18096 5974 1 9 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.940 -0.102 18096 5975 1 9 . 1 1 9 9 PHE H H 9 8.071 8.071 7.810 0.261 18096 5976 1 9 . 1 1 10 10 TYR N N 10 117.829 117.829 120.895 -3.066 18096 5977 1 9 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.117 0.073 18096 5978 1 9 . 1 1 10 10 TYR C C 10 177.743 177.743 177.320 0.423 18096 5979 1 9 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.543 -0.334 18096 5980 1 9 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.439 0.276 18096 5981 1 9 . 1 1 10 10 TYR H H 10 8.204 8.204 7.789 0.415 18096 5982 1 9 . 1 1 11 11 THR N N 11 115.545 115.545 114.195 1.350 18096 5983 1 9 . 1 1 11 11 THR HA H 11 3.875 3.875 3.438 0.437 18096 5984 1 9 . 1 1 11 11 THR C C 11 175.937 175.937 176.456 -0.519 18096 5985 1 9 . 1 1 11 11 THR CA C 11 67.187 67.187 65.888 1.299 18096 5986 1 9 . 1 1 11 11 THR CB C 11 68.579 68.579 68.532 0.047 18096 5987 1 9 . 1 1 11 11 THR H H 11 7.934 7.934 7.505 0.429 18096 5988 1 9 . 1 1 12 12 ILE N N 12 120.096 120.096 120.814 -0.718 18096 5989 1 9 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.542 0.140 18096 5990 1 9 . 1 1 12 12 ILE C C 12 175.863 175.863 177.387 -1.524 18096 5991 1 9 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.961 -0.140 18096 5992 1 9 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.705 0.252 18096 5993 1 9 . 1 1 12 12 ILE H H 12 8.172 8.172 7.348 0.824 18096 5994 1 9 . 1 1 13 13 ASN N N 13 114.444 114.444 117.210 -2.766 18096 5995 1 9 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.452 -0.059 18096 5996 1 9 . 1 1 13 13 ASN C C 13 174.880 174.880 176.197 -1.317 18096 5997 1 9 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.562 -0.305 18096 5998 1 9 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.725 0.821 18096 5999 1 9 . 1 1 13 13 ASN H H 13 7.731 7.731 7.841 -0.110 18096 6000 1 9 . 1 1 14 14 LEU N N 14 115.306 115.306 118.306 -3.000 18096 6001 1 9 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.627 0.719 18096 6002 1 9 . 1 1 14 14 LEU C C 14 177.427 177.427 177.393 0.034 18096 6003 1 9 . 1 1 14 14 LEU CA C 14 56.370 56.370 55.899 0.471 18096 6004 1 9 . 1 1 14 14 LEU CB C 14 41.766 41.766 41.691 0.075 18096 6005 1 9 . 1 1 14 14 LEU H H 14 7.381 7.381 7.140 0.241 18096 6006 1 9 . 1 1 15 15 ILE N N 15 117.935 117.935 120.232 -2.297 18096 6007 1 9 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.583 0.015 18096 6008 1 9 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.756 0.696 18096 6009 1 9 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.104 -0.423 18096 6010 1 9 . 1 1 15 15 ILE H H 15 8.135 8.135 7.081 1.054 18096 6011 1 9 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.273 -0.227 18096 6012 1 9 . 1 1 17 17 PRO C C 17 177.518 177.518 178.690 -1.172 18096 6013 1 9 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.685 0.960 18096 6014 1 9 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.822 0.144 18096 6015 1 9 . 1 1 18 18 CYS N N 18 113.411 113.411 118.237 -4.826 18096 6016 1 9 . 1 1 18 18 CYS HA H 18 3.951 3.951 3.888 0.063 18096 6017 1 9 . 1 1 18 18 CYS C C 18 177.617 177.617 176.877 0.740 18096 6018 1 9 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.738 0.750 18096 6019 1 9 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.569 -0.801 18096 6020 1 9 . 1 1 18 18 CYS H H 18 7.338 7.338 7.277 0.061 18096 6021 1 9 . 1 1 19 19 VAL N N 19 121.720 121.720 119.276 2.444 18096 6022 1 9 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.588 -0.067 18096 6023 1 9 . 1 1 19 19 VAL C C 19 178.069 178.069 177.953 0.116 18096 6024 1 9 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.133 0.932 18096 6025 1 9 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.777 -0.025 18096 6026 1 9 . 1 1 19 19 VAL H H 19 8.587 8.587 7.742 0.845 18096 6027 1 9 . 1 1 20 20 LEU N N 20 121.731 121.731 121.391 0.340 18096 6028 1 9 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.836 0.185 18096 6029 1 9 . 1 1 20 20 LEU C C 20 177.989 177.989 178.530 -0.541 18096 6030 1 9 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.498 0.151 18096 6031 1 9 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.946 -0.012 18096 6032 1 9 . 1 1 20 20 LEU H H 20 8.344 8.344 7.793 0.551 18096 6033 1 9 . 1 1 21 21 ILE N N 21 117.403 117.403 118.631 -1.228 18096 6034 1 9 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.533 0.136 18096 6035 1 9 . 1 1 21 21 ILE C C 21 176.947 176.947 178.015 -1.068 18096 6036 1 9 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.844 -0.488 18096 6037 1 9 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.927 -0.009 18096 6038 1 9 . 1 1 21 21 ILE H H 21 8.371 8.371 8.400 -0.029 18096 6039 1 9 . 1 1 22 22 THR N N 22 115.544 115.544 115.971 -0.427 18096 6040 1 9 . 1 1 22 22 THR HA H 22 3.681 3.681 3.998 -0.317 18096 6041 1 9 . 1 1 22 22 THR C C 22 176.073 176.073 176.479 -0.406 18096 6042 1 9 . 1 1 22 22 THR CA C 22 68.152 68.152 67.760 0.392 18096 6043 1 9 . 1 1 22 22 THR CB C 22 68.428 68.428 68.466 -0.037 18096 6044 1 9 . 1 1 22 22 THR H H 22 7.829 7.829 7.609 0.220 18096 6045 1 9 . 1 1 23 23 SER N N 23 116.192 116.192 117.455 -1.263 18096 6046 1 9 . 1 1 23 23 SER HA H 23 4.023 4.023 4.056 -0.033 18096 6047 1 9 . 1 1 23 23 SER C C 23 175.279 175.279 176.507 -1.228 18096 6048 1 9 . 1 1 23 23 SER CA C 23 63.884 63.884 61.870 2.014 18096 6049 1 9 . 1 1 23 23 SER CB C 23 62.971 62.971 63.048 -0.077 18096 6050 1 9 . 1 1 23 23 SER H H 23 8.069 8.069 8.148 -0.079 18096 6051 1 9 . 1 1 24 24 LEU N N 24 120.855 120.855 121.606 -0.751 18096 6052 1 9 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.004 -0.023 18096 6053 1 9 . 1 1 24 24 LEU C C 24 177.542 177.542 178.863 -1.321 18096 6054 1 9 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.986 0.050 18096 6055 1 9 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.728 0.213 18096 6056 1 9 . 1 1 24 24 LEU H H 24 7.858 7.858 8.217 -0.359 18096 6057 1 9 . 1 1 25 25 ALA N N 25 119.507 119.507 120.564 -1.057 18096 6058 1 9 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.253 -0.313 18096 6059 1 9 . 1 1 25 25 ALA C C 25 177.915 177.915 179.672 -1.757 18096 6060 1 9 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.968 0.644 18096 6061 1 9 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.407 -0.156 18096 6062 1 9 . 1 1 25 25 ALA H H 25 8.141 8.141 7.987 0.154 18096 6063 1 9 . 1 1 26 26 ILE N N 26 115.689 115.689 120.180 -4.491 18096 6064 1 9 . 1 1 26 26 ILE HA H 26 3.798 3.798 4.012 -0.214 18096 6065 1 9 . 1 1 26 26 ILE C C 26 177.729 177.729 177.855 -0.126 18096 6066 1 9 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.010 0.330 18096 6067 1 9 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.266 -0.436 18096 6068 1 9 . 1 1 26 26 ILE H H 26 8.012 8.012 7.654 0.358 18096 6069 1 9 . 1 1 27 27 LEU N N 27 118.567 118.567 120.504 -1.937 18096 6070 1 9 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.007 -0.001 18096 6071 1 9 . 1 1 27 27 LEU C C 27 178.364 178.364 179.324 -0.960 18096 6072 1 9 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.882 -0.145 18096 6073 1 9 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.339 0.498 18096 6074 1 9 . 1 1 27 27 LEU H H 27 8.045 8.045 8.388 -0.343 18096 6075 1 9 . 1 1 28 28 VAL N N 28 113.720 113.720 118.034 -4.314 18096 6076 1 9 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.715 -0.140 18096 6077 1 9 . 1 1 28 28 VAL C C 28 177.809 177.809 179.124 -1.315 18096 6078 1 9 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.644 -0.631 18096 6079 1 9 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.440 0.610 18096 6080 1 9 . 1 1 28 28 VAL H H 28 8.008 8.008 7.601 0.407 18096 6081 1 9 . 1 1 29 29 PHE N N 29 115.458 115.458 121.643 -6.185 18096 6082 1 9 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.250 -0.041 18096 6083 1 9 . 1 1 29 29 PHE C C 29 176.366 176.366 178.260 -1.894 18096 6084 1 9 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.449 -0.591 18096 6085 1 9 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.008 0.590 18096 6086 1 9 . 1 1 29 29 PHE H H 29 7.915 7.915 7.784 0.131 18096 6087 1 9 . 1 1 30 30 TYR N N 30 115.649 115.649 116.787 -1.138 18096 6088 1 9 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.462 -0.221 18096 6089 1 9 . 1 1 30 30 TYR C C 30 175.388 175.388 175.676 -0.288 18096 6090 1 9 . 1 1 30 30 TYR CA C 30 59.386 59.386 61.056 -1.670 18096 6091 1 9 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.142 0.497 18096 6092 1 9 . 1 1 30 30 TYR H H 30 8.002 8.002 8.285 -0.283 18096 6093 1 9 . 1 1 31 31 LEU N N 31 121.144 121.144 120.263 0.881 18096 6094 1 9 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.781 -0.333 18096 6095 1 9 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.349 1.800 18096 6096 1 9 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.687 -1.351 18096 6097 1 9 . 1 1 31 31 LEU H H 31 7.514 7.514 7.656 -0.142 18096 6098 1 9 . 1 1 32 32 PRO C C 32 176.530 176.530 176.431 0.099 18096 6099 1 9 . 1 1 33 33 SER N N 33 115.448 115.448 116.993 -1.545 18096 6100 1 9 . 1 1 33 33 SER HA H 33 4.317 4.317 4.675 -0.358 18096 6101 1 9 . 1 1 33 33 SER C C 33 174.174 174.174 173.988 0.186 18096 6102 1 9 . 1 1 33 33 SER CA C 33 59.954 59.954 57.157 2.797 18096 6103 1 9 . 1 1 33 33 SER H H 33 8.370 8.370 8.265 0.105 18096 6104 1 9 . 1 1 34 34 ASP N N 34 119.694 119.694 121.432 -1.738 18096 6105 1 9 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.925 -0.340 18096 6106 1 9 . 1 1 34 34 ASP C C 34 175.971 175.971 175.489 0.482 18096 6107 1 9 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.455 -0.013 18096 6108 1 9 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.379 -0.139 18096 6109 1 9 . 1 1 34 34 ASP H H 34 8.209 8.209 8.605 -0.396 18096 6110 1 9 . 1 1 35 35 CYS N N 35 114.872 114.872 117.962 -3.090 18096 6111 1 9 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.679 -0.476 18096 6112 1 9 . 1 1 35 35 CYS C C 35 175.147 175.147 176.087 -0.940 18096 6113 1 9 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.891 1.230 18096 6114 1 9 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.987 -1.101 18096 6115 1 9 . 1 1 35 35 CYS H H 35 7.750 7.750 8.219 -0.469 18096 6116 1 9 . 1 1 36 36 GLY N N 36 110.059 110.059 109.481 0.578 18096 6117 1 9 . 1 1 36 36 GLY C C 36 174.391 174.391 175.396 -1.005 18096 6118 1 9 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.967 1.320 18096 6119 1 9 . 1 1 36 36 GLY H H 36 8.357 8.357 8.023 0.334 18096 6120 1 9 . 1 1 37 37 GLU N N 37 121.785 121.785 120.556 1.229 18096 6121 1 9 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.034 0.032 18096 6122 1 9 . 1 1 37 37 GLU C C 37 176.536 176.536 178.020 -1.484 18096 6123 1 9 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.149 -0.623 18096 6124 1 9 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.420 0.310 18096 6125 1 9 . 1 1 37 37 GLU H H 37 8.359 8.359 8.891 -0.532 18096 6126 1 9 . 1 1 38 38 LYS N N 38 123.927 123.927 118.069 5.858 18096 6127 1 9 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.913 0.210 18096 6128 1 9 . 1 1 38 38 LYS C C 38 177.544 177.544 178.995 -1.451 18096 6129 1 9 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.132 -0.563 18096 6130 1 9 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.652 0.025 18096 6131 1 9 . 1 1 38 38 LYS H H 38 8.226 8.226 8.283 -0.057 18096 6132 1 9 . 1 1 39 39 MET N N 39 117.932 117.932 119.449 -1.517 18096 6133 1 9 . 1 1 39 39 MET HA H 39 4.135 4.135 4.112 0.023 18096 6134 1 9 . 1 1 39 39 MET C C 39 178.602 178.602 178.247 0.355 18096 6135 1 9 . 1 1 39 39 MET CA C 39 58.851 58.851 59.470 -0.619 18096 6136 1 9 . 1 1 39 39 MET CB C 39 32.220 32.220 32.365 -0.145 18096 6137 1 9 . 1 1 39 39 MET H H 39 8.262 8.262 7.836 0.426 18096 6138 1 9 . 1 1 40 40 THR N N 40 117.201 117.201 115.087 2.114 18096 6139 1 9 . 1 1 40 40 THR HA H 40 3.673 3.673 3.940 -0.267 18096 6140 1 9 . 1 1 40 40 THR C C 40 175.927 175.927 176.528 -0.601 18096 6141 1 9 . 1 1 40 40 THR CA C 40 67.352 67.352 66.411 0.941 18096 6142 1 9 . 1 1 40 40 THR H H 40 8.341 8.341 7.895 0.446 18096 6143 1 9 . 1 1 41 41 LEU N N 41 120.040 120.040 121.516 -1.476 18096 6144 1 9 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.204 -0.152 18096 6145 1 9 . 1 1 41 41 LEU C C 41 177.809 177.809 178.110 -0.301 18096 6146 1 9 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.605 0.782 18096 6147 1 9 . 1 1 41 41 LEU H H 41 8.181 8.181 7.643 0.538 18096 6148 1 9 . 1 1 42 42 CYS N N 42 117.556 117.556 119.083 -1.527 18096 6149 1 9 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.066 -0.114 18096 6150 1 9 . 1 1 42 42 CYS C C 42 176.460 176.460 177.432 -0.972 18096 6151 1 9 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.366 1.130 18096 6152 1 9 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.128 -0.295 18096 6153 1 9 . 1 1 42 42 CYS H H 42 7.949 7.949 7.413 0.536 18096 6154 1 9 . 1 1 43 43 ILE N N 43 117.336 117.336 119.221 -1.885 18096 6155 1 9 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.764 -0.135 18096 6156 1 9 . 1 1 43 43 ILE C C 43 177.256 177.256 177.618 -0.362 18096 6157 1 9 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.796 0.279 18096 6158 1 9 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.594 0.350 18096 6159 1 9 . 1 1 43 43 ILE H H 43 8.347 8.347 7.899 0.448 18096 6160 1 9 . 1 1 44 44 SER N N 44 116.243 116.243 116.580 -0.337 18096 6161 1 9 . 1 1 44 44 SER HA H 44 4.083 4.083 4.228 -0.145 18096 6162 1 9 . 1 1 44 44 SER C C 44 176.305 176.305 176.749 -0.444 18096 6163 1 9 . 1 1 44 44 SER CA C 44 63.348 63.348 61.843 1.505 18096 6164 1 9 . 1 1 44 44 SER CB C 44 62.954 62.954 63.259 -0.305 18096 6165 1 9 . 1 1 44 44 SER H H 44 8.064 8.064 7.523 0.541 18096 6166 1 9 . 1 1 45 45 VAL N N 45 120.333 120.333 121.897 -1.564 18096 6167 1 9 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.771 -0.255 18096 6168 1 9 . 1 1 45 45 VAL C C 45 177.247 177.247 177.935 -0.688 18096 6169 1 9 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.687 0.251 18096 6170 1 9 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.525 0.235 18096 6171 1 9 . 1 1 45 45 VAL H H 45 8.036 8.036 8.346 -0.310 18096 6172 1 9 . 1 1 46 46 LEU N N 46 119.430 119.430 120.313 -0.883 18096 6173 1 9 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.075 -0.127 18096 6174 1 9 . 1 1 46 46 LEU C C 46 180.032 180.032 178.644 1.388 18096 6175 1 9 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.683 0.843 18096 6176 1 9 . 1 1 46 46 LEU CB C 46 41.985 41.985 42.033 -0.048 18096 6177 1 9 . 1 1 46 46 LEU H H 46 7.959 7.959 7.472 0.487 18096 6178 1 9 . 1 1 47 47 LEU N N 47 121.110 121.110 120.506 0.604 18096 6179 1 9 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.920 0.078 18096 6180 1 9 . 1 1 47 47 LEU C C 47 177.985 177.985 178.413 -0.428 18096 6181 1 9 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.147 0.292 18096 6182 1 9 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.784 0.262 18096 6183 1 9 . 1 1 47 47 LEU H H 47 8.695 8.695 7.615 1.080 18096 6184 1 9 . 1 1 48 48 ALA N N 48 121.251 121.251 121.127 0.124 18096 6185 1 9 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.003 -0.158 18096 6186 1 9 . 1 1 48 48 ALA C C 48 178.834 178.834 179.686 -0.852 18096 6187 1 9 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.142 0.567 18096 6188 1 9 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.188 -0.055 18096 6189 1 9 . 1 1 48 48 ALA H H 48 8.272 8.272 7.547 0.725 18096 6190 1 9 . 1 1 49 49 LEU N N 49 116.290 116.290 117.839 -1.549 18096 6191 1 9 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.094 -0.097 18096 6192 1 9 . 1 1 49 49 LEU C C 49 178.068 178.068 179.378 -1.310 18096 6193 1 9 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.619 0.689 18096 6194 1 9 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.038 -0.092 18096 6195 1 9 . 1 1 49 49 LEU H H 49 8.526 8.526 7.720 0.806 18096 6196 1 9 . 1 1 50 50 THR N N 50 115.495 115.495 116.379 -0.884 18096 6197 1 9 . 1 1 50 50 THR HA H 50 3.692 3.692 4.027 -0.335 18096 6198 1 9 . 1 1 50 50 THR C C 50 176.061 176.061 176.654 -0.593 18096 6199 1 9 . 1 1 50 50 THR CA C 50 68.786 68.786 67.075 1.711 18096 6200 1 9 . 1 1 50 50 THR H H 50 7.996 7.996 7.841 0.155 18096 6201 1 9 . 1 1 51 51 VAL N N 51 119.977 119.977 122.218 -2.241 18096 6202 1 9 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.504 -0.008 18096 6203 1 9 . 1 1 51 51 VAL C C 51 177.063 177.063 178.072 -1.009 18096 6204 1 9 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.762 0.601 18096 6205 1 9 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.521 0.097 18096 6206 1 9 . 1 1 51 51 VAL H H 51 8.145 8.145 7.646 0.499 18096 6207 1 9 . 1 1 52 52 PHE N N 52 118.836 118.836 117.559 1.277 18096 6208 1 9 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.239 -0.137 18096 6209 1 9 . 1 1 52 52 PHE C C 52 176.721 176.721 177.739 -1.018 18096 6210 1 9 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.234 -0.595 18096 6211 1 9 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.591 0.738 18096 6212 1 9 . 1 1 52 52 PHE H H 52 8.354 8.354 7.515 0.839 18096 6213 1 9 . 1 1 53 53 LEU N N 53 117.271 117.271 120.566 -3.295 18096 6214 1 9 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.908 -0.036 18096 6215 1 9 . 1 1 53 53 LEU C C 53 179.184 179.184 178.850 0.334 18096 6216 1 9 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.513 -0.656 18096 6217 1 9 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.844 0.151 18096 6218 1 9 . 1 1 53 53 LEU H H 53 8.438 8.438 7.960 0.478 18096 6219 1 9 . 1 1 54 54 LEU N N 54 119.310 119.310 118.332 0.978 18096 6220 1 9 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.918 0.089 18096 6221 1 9 . 1 1 54 54 LEU C C 54 179.224 179.224 179.255 -0.031 18096 6222 1 9 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.669 0.419 18096 6223 1 9 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.674 0.355 18096 6224 1 9 . 1 1 54 54 LEU H H 54 8.147 8.147 7.932 0.215 18096 6225 1 9 . 1 1 55 55 LEU N N 55 118.400 118.400 120.489 -2.089 18096 6226 1 9 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.904 0.196 18096 6227 1 9 . 1 1 55 55 LEU C C 55 178.974 178.974 178.844 0.130 18096 6228 1 9 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.323 -0.462 18096 6229 1 9 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.168 -0.196 18096 6230 1 9 . 1 1 55 55 LEU H H 55 8.096 8.096 7.327 0.769 18096 6231 1 9 . 1 1 56 56 ILE N N 56 115.919 115.919 116.286 -0.367 18096 6232 1 9 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.144 -0.288 18096 6233 1 9 . 1 1 56 56 ILE C C 56 176.763 176.763 177.476 -0.713 18096 6234 1 9 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.627 -0.116 18096 6235 1 9 . 1 1 56 56 ILE CB C 56 37.689 37.689 38.101 -0.412 18096 6236 1 9 . 1 1 56 56 ILE H H 56 8.028 8.028 7.736 0.292 18096 6237 1 9 . 1 1 57 57 SER N N 57 114.862 114.862 114.376 0.486 18096 6238 1 9 . 1 1 57 57 SER HA H 57 4.178 4.178 4.199 -0.021 18096 6239 1 9 . 1 1 57 57 SER C C 57 175.258 175.258 175.844 -0.586 18096 6240 1 9 . 1 1 57 57 SER CA C 57 60.946 60.946 60.988 -0.042 18096 6241 1 9 . 1 1 57 57 SER CB C 57 63.558 63.558 63.327 0.231 18096 6242 1 9 . 1 1 57 57 SER H H 57 7.689 7.689 8.221 -0.532 18096 6243 1 9 . 1 1 58 58 LYS N N 58 118.080 118.080 119.900 -1.820 18096 6244 1 9 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.363 -0.076 18096 6245 1 9 . 1 1 58 58 LYS C C 58 176.668 176.668 176.577 0.091 18096 6246 1 9 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.486 -1.379 18096 6247 1 9 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.031 -1.967 18096 6248 1 9 . 1 1 58 58 LYS H H 58 7.595 7.595 7.478 0.117 18096 6249 1 9 . 1 1 59 59 ILE N N 59 116.926 116.926 119.767 -2.841 18096 6250 1 9 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.338 -0.304 18096 6251 1 9 . 1 1 59 59 ILE C C 59 175.226 175.226 174.721 0.505 18096 6252 1 9 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.386 1.998 18096 6253 1 9 . 1 1 59 59 ILE CB C 59 38.073 38.073 41.081 -3.008 18096 6254 1 9 . 1 1 59 59 ILE H H 59 7.706 7.706 7.497 0.209 18096 6255 1 9 . 1 1 60 60 VAL N N 60 119.235 119.235 124.081 -4.846 18096 6256 1 9 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.466 -0.140 18096 6257 1 9 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.538 0.209 18096 6258 1 9 . 1 1 60 60 VAL CB C 60 32.266 32.266 32.013 0.253 18096 6259 1 9 . 1 1 60 60 VAL H H 60 7.586 7.586 8.266 -0.680 18096 6260 1 9 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.652 -0.008 18096 6261 1 9 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.411 0.110 18096 6262 1 9 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.615 0.521 18096 6263 1 9 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.362 0.129 18096 6264 1 9 . 1 1 62 62 PRO C C 62 176.912 176.912 176.268 0.644 18096 6265 1 9 . 1 1 62 62 PRO CA C 62 63.243 63.243 63.896 -0.653 18096 6266 1 9 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.806 0.072 18096 6267 1 9 . 1 1 63 63 THR N N 63 111.607 111.607 114.327 -2.720 18096 6268 1 9 . 1 1 63 63 THR HA H 63 4.447 4.447 4.265 0.182 18096 6269 1 9 . 1 1 63 63 THR C C 63 174.725 174.725 173.798 0.927 18096 6270 1 9 . 1 1 63 63 THR CA C 63 61.245 61.245 62.357 -1.112 18096 6271 1 9 . 1 1 63 63 THR CB C 63 69.807 69.807 67.183 2.624 18096 6272 1 9 . 1 1 63 63 THR H H 63 7.915 7.915 7.762 0.153 18096 6273 1 9 . 1 1 64 64 SER N N 64 116.516 116.516 119.625 -3.109 18096 6274 1 9 . 1 1 64 64 SER HA H 64 4.411 4.411 4.920 -0.509 18096 6275 1 9 . 1 1 64 64 SER C C 64 174.580 174.580 173.928 0.652 18096 6276 1 9 . 1 1 64 64 SER CA C 64 58.608 58.608 58.229 0.379 18096 6277 1 9 . 1 1 64 64 SER CB C 64 63.742 63.742 63.710 0.032 18096 6278 1 9 . 1 1 64 64 SER H H 64 8.127 8.127 7.912 0.215 18096 6279 1 9 . 1 1 65 65 SER N N 65 116.921 116.921 121.122 -4.201 18096 6280 1 9 . 1 1 65 65 SER HA H 65 4.453 4.453 4.680 -0.227 18096 6281 1 9 . 1 1 65 65 SER C C 65 174.100 174.100 175.288 -1.188 18096 6282 1 9 . 1 1 65 65 SER CA C 65 58.584 58.584 58.739 -0.155 18096 6283 1 9 . 1 1 65 65 SER CB C 65 63.668 63.668 64.030 -0.362 18096 6284 1 9 . 1 1 65 65 SER H H 65 8.169 8.169 8.560 -0.391 18096 6285 1 9 . 1 1 66 66 ASP N N 66 120.478 120.478 122.331 -1.853 18096 6286 1 9 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.539 0.085 18096 6287 1 9 . 1 1 66 66 ASP C C 66 175.730 175.730 175.407 0.323 18096 6288 1 9 . 1 1 66 66 ASP CA C 66 54.245 54.245 55.165 -0.920 18096 6289 1 9 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.166 0.029 18096 6290 1 9 . 1 1 66 66 ASP H H 66 8.154 8.154 8.480 -0.326 18096 6291 1 9 . 1 1 67 67 SER N N 67 115.159 115.159 113.067 2.092 18096 6292 1 9 . 1 1 67 67 SER HA H 67 4.528 4.528 4.889 -0.361 18096 6293 1 9 . 1 1 67 67 SER CA C 67 56.493 56.493 56.102 0.391 18096 6294 1 9 . 1 1 67 67 SER CB C 67 63.604 63.604 64.794 -1.190 18096 6295 1 9 . 1 1 67 67 SER H H 67 7.930 7.930 7.777 0.153 18096 6296 1 9 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.590 -0.195 18096 6297 1 9 . 1 1 68 68 PRO C C 68 176.652 176.652 176.902 -0.250 18096 6298 1 9 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.577 1.016 18096 6299 1 9 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.563 -1.211 18096 6300 1 9 . 1 1 69 69 SER N N 69 115.859 115.859 113.012 2.847 18096 6301 1 9 . 1 1 69 69 SER HA H 69 4.436 4.436 4.157 0.279 18096 6302 1 9 . 1 1 69 69 SER C C 69 174.611 174.611 175.343 -0.732 18096 6303 1 9 . 1 1 69 69 SER CA C 69 58.264 58.264 59.131 -0.867 18096 6304 1 9 . 1 1 69 69 SER CB C 69 63.919 63.919 64.568 -0.649 18096 6305 1 9 . 1 1 69 69 SER H H 69 8.256 8.256 8.162 0.094 18096 6306 1 9 . 1 1 70 70 VAL N N 70 117.241 117.241 123.836 -6.595 18096 6307 1 9 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.954 -0.152 18096 6308 1 9 . 1 1 70 70 VAL C C 70 177.772 177.772 177.540 0.232 18096 6309 1 9 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.464 1.180 18096 6310 1 9 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.879 0.017 18096 6311 1 9 . 1 1 70 70 VAL H H 70 8.211 8.211 8.637 -0.426 18096 6312 1 9 . 1 1 71 71 GLY N N 71 106.999 106.999 107.438 -0.439 18096 6313 1 9 . 1 1 71 71 GLY C C 71 175.551 175.551 175.312 0.239 18096 6314 1 9 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.922 0.322 18096 6315 1 9 . 1 1 71 71 GLY H H 71 8.566 8.566 8.272 0.294 18096 6316 1 9 . 1 1 72 72 GLU N N 72 121.376 121.376 122.779 -1.403 18096 6317 1 9 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.976 -0.087 18096 6318 1 9 . 1 1 72 72 GLU C C 72 178.495 178.495 178.708 -0.213 18096 6319 1 9 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.522 0.596 18096 6320 1 9 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.321 0.269 18096 6321 1 9 . 1 1 72 72 GLU H H 72 7.919 7.919 8.383 -0.464 18096 6322 1 9 . 1 1 73 73 TYR N N 73 117.643 117.643 117.751 -0.108 18096 6323 1 9 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.267 -0.205 18096 6324 1 9 . 1 1 73 73 TYR C C 73 179.921 179.921 178.120 1.801 18096 6325 1 9 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.630 2.500 18096 6326 1 9 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.029 0.888 18096 6327 1 9 . 1 1 73 73 TYR H H 73 8.095 8.095 7.803 0.292 18096 6328 1 9 . 1 1 74 74 LEU N N 74 121.712 121.712 120.166 1.546 18096 6329 1 9 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.097 -0.034 18096 6330 1 9 . 1 1 74 74 LEU C C 74 178.385 178.385 179.247 -0.862 18096 6331 1 9 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.249 1.225 18096 6332 1 9 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.089 0.849 18096 6333 1 9 . 1 1 74 74 LEU H H 74 8.615 8.615 7.868 0.747 18096 6334 1 9 . 1 1 75 75 MET N N 75 119.087 119.087 120.203 -1.116 18096 6335 1 9 . 1 1 75 75 MET HA H 75 4.056 4.056 4.113 -0.057 18096 6336 1 9 . 1 1 75 75 MET C C 75 177.851 177.851 178.741 -0.890 18096 6337 1 9 . 1 1 75 75 MET CA C 75 59.166 59.166 59.908 -0.742 18096 6338 1 9 . 1 1 75 75 MET CB C 75 32.093 32.093 32.705 -0.612 18096 6339 1 9 . 1 1 75 75 MET H H 75 8.362 8.362 8.263 0.099 18096 6340 1 9 . 1 1 76 76 PHE N N 76 117.788 117.788 116.954 0.834 18096 6341 1 9 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.393 -0.288 18096 6342 1 9 . 1 1 76 76 PHE C C 76 177.305 177.305 177.916 -0.611 18096 6343 1 9 . 1 1 76 76 PHE CA C 76 61.376 61.376 59.884 1.492 18096 6344 1 9 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.322 0.639 18096 6345 1 9 . 1 1 76 76 PHE H H 76 8.471 8.471 7.963 0.508 18096 6346 1 9 . 1 1 77 77 THR N N 77 115.298 115.298 116.883 -1.585 18096 6347 1 9 . 1 1 77 77 THR HA H 77 3.673 3.673 4.092 -0.419 18096 6348 1 9 . 1 1 77 77 THR C C 77 176.057 176.057 176.334 -0.277 18096 6349 1 9 . 1 1 77 77 THR CA C 77 68.423 68.423 67.305 1.118 18096 6350 1 9 . 1 1 77 77 THR CB C 77 68.204 68.204 68.899 -0.695 18096 6351 1 9 . 1 1 77 77 THR H H 77 8.179 8.179 8.270 -0.091 18096 6352 1 9 . 1 1 78 78 MET N N 78 119.204 119.204 120.818 -1.614 18096 6353 1 9 . 1 1 78 78 MET HA H 78 4.092 4.092 4.182 -0.090 18096 6354 1 9 . 1 1 78 78 MET C C 78 179.421 179.421 178.393 1.028 18096 6355 1 9 . 1 1 78 78 MET CA C 78 58.810 58.810 59.134 -0.324 18096 6356 1 9 . 1 1 78 78 MET CB C 78 32.176 32.176 32.171 0.005 18096 6357 1 9 . 1 1 78 78 MET H H 78 8.310 8.310 8.481 -0.171 18096 6358 1 9 . 1 1 79 79 VAL N N 79 122.115 122.115 120.139 1.976 18096 6359 1 9 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.588 -0.096 18096 6360 1 9 . 1 1 79 79 VAL C C 79 176.866 176.866 178.048 -1.182 18096 6361 1 9 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.546 0.828 18096 6362 1 9 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.496 0.119 18096 6363 1 9 . 1 1 79 79 VAL H H 79 8.239 8.239 7.708 0.531 18096 6364 1 9 . 1 1 80 80 LEU N N 80 120.240 120.240 119.928 0.312 18096 6365 1 9 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.987 -0.048 18096 6366 1 9 . 1 1 80 80 LEU C C 80 180.078 180.078 179.346 0.732 18096 6367 1 9 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.875 0.722 18096 6368 1 9 . 1 1 80 80 LEU CB C 80 41.941 41.941 40.815 1.126 18096 6369 1 9 . 1 1 80 80 LEU H H 80 8.058 8.058 7.352 0.706 18096 6370 1 9 . 1 1 81 81 VAL N N 81 120.008 120.008 119.505 0.503 18096 6371 1 9 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.599 -0.141 18096 6372 1 9 . 1 1 81 81 VAL C C 81 177.670 177.670 178.335 -0.665 18096 6373 1 9 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.122 0.215 18096 6374 1 9 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.231 0.384 18096 6375 1 9 . 1 1 81 81 VAL H H 81 8.800 8.800 8.539 0.261 18096 6376 1 9 . 1 1 82 82 THR N N 82 116.872 116.872 116.696 0.176 18096 6377 1 9 . 1 1 82 82 THR HA H 82 3.676 3.676 3.988 -0.312 18096 6378 1 9 . 1 1 82 82 THR C C 82 176.268 176.268 176.501 -0.233 18096 6379 1 9 . 1 1 82 82 THR CA C 82 68.590 68.590 67.364 1.226 18096 6380 1 9 . 1 1 82 82 THR CB C 82 68.468 68.468 68.849 -0.381 18096 6381 1 9 . 1 1 82 82 THR H H 82 8.109 8.109 8.239 -0.130 18096 6382 1 9 . 1 1 83 83 PHE N N 83 119.777 119.777 120.857 -1.080 18096 6383 1 9 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.224 -0.143 18096 6384 1 9 . 1 1 83 83 PHE C C 83 178.015 178.015 177.580 0.435 18096 6385 1 9 . 1 1 83 83 PHE CA C 83 61.612 61.612 60.784 0.828 18096 6386 1 9 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.532 0.154 18096 6387 1 9 . 1 1 83 83 PHE H H 83 8.754 8.754 7.961 0.793 18096 6388 1 9 . 1 1 84 84 SER N N 84 117.769 117.769 116.591 1.178 18096 6389 1 9 . 1 1 84 84 SER HA H 84 4.091 4.091 4.066 0.025 18096 6390 1 9 . 1 1 84 84 SER C C 84 175.899 175.899 176.658 -0.759 18096 6391 1 9 . 1 1 84 84 SER CA C 84 63.269 63.269 61.700 1.569 18096 6392 1 9 . 1 1 84 84 SER CB C 84 62.962 62.962 63.469 -0.507 18096 6393 1 9 . 1 1 84 84 SER H H 84 8.335 8.335 8.407 -0.072 18096 6394 1 9 . 1 1 85 85 ILE N N 85 122.986 122.986 122.100 0.886 18096 6395 1 9 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.712 -0.063 18096 6396 1 9 . 1 1 85 85 ILE C C 85 177.778 177.778 177.899 -0.121 18096 6397 1 9 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.478 1.026 18096 6398 1 9 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.044 1.071 18096 6399 1 9 . 1 1 85 85 ILE H H 85 8.187 8.187 8.280 -0.093 18096 6400 1 9 . 1 1 86 86 VAL N N 86 117.289 117.289 118.422 -1.133 18096 6401 1 9 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.515 -0.006 18096 6402 1 9 . 1 1 86 86 VAL C C 86 177.816 177.816 177.676 0.140 18096 6403 1 9 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.321 -0.274 18096 6404 1 9 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.297 0.300 18096 6405 1 9 . 1 1 86 86 VAL H H 86 8.367 8.367 7.551 0.816 18096 6406 1 9 . 1 1 87 87 THR N N 87 116.788 116.788 113.463 3.325 18096 6407 1 9 . 1 1 87 87 THR HA H 87 3.758 3.758 3.941 -0.183 18096 6408 1 9 . 1 1 87 87 THR C C 87 176.095 176.095 176.540 -0.445 18096 6409 1 9 . 1 1 87 87 THR CA C 87 67.248 67.248 65.884 1.364 18096 6410 1 9 . 1 1 87 87 THR H H 87 8.007 8.007 7.284 0.723 18096 6411 1 9 . 1 1 88 88 SER N N 88 116.157 116.157 118.045 -1.888 18096 6412 1 9 . 1 1 88 88 SER HA H 88 4.018 4.018 4.108 -0.090 18096 6413 1 9 . 1 1 88 88 SER C C 88 174.932 174.932 176.614 -1.682 18096 6414 1 9 . 1 1 88 88 SER CA C 88 62.717 62.717 61.527 1.190 18096 6415 1 9 . 1 1 88 88 SER CB C 88 62.954 62.954 63.070 -0.116 18096 6416 1 9 . 1 1 88 88 SER H H 88 7.662 7.662 7.846 -0.184 18096 6417 1 9 . 1 1 89 89 VAL N N 89 117.956 117.956 122.231 -4.275 18096 6418 1 9 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.740 -0.224 18096 6419 1 9 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.630 0.636 18096 6420 1 9 . 1 1 89 89 VAL H H 89 8.274 8.274 7.778 0.496 18096 6421 1 9 . 1 1 90 90 CYS N N 90 116.319 116.319 118.218 -1.899 18096 6422 1 9 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.217 0.012 18096 6423 1 9 . 1 1 90 90 CYS C C 90 175.174 175.174 176.258 -1.084 18096 6424 1 9 . 1 1 90 90 CYS CA C 90 62.618 62.618 61.983 0.635 18096 6425 1 9 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.604 -0.813 18096 6426 1 9 . 1 1 90 90 CYS H H 90 7.654 7.654 7.548 0.106 18096 6427 1 9 . 1 1 91 91 VAL N N 91 115.534 115.534 118.308 -2.774 18096 6428 1 9 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.843 -0.217 18096 6429 1 9 . 1 1 91 91 VAL C C 91 176.038 176.038 177.526 -1.488 18096 6430 1 9 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.168 -1.560 18096 6431 1 9 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.825 0.098 18096 6432 1 9 . 1 1 91 91 VAL H H 91 7.760 7.760 7.538 0.222 18096 6433 1 9 . 1 1 92 92 LEU N N 92 119.713 119.713 118.766 0.947 18096 6434 1 9 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.100 0.140 18096 6435 1 9 . 1 1 92 92 LEU C C 92 176.769 176.769 177.410 -0.641 18096 6436 1 9 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.758 -1.168 18096 6437 1 9 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.691 -0.758 18096 6438 1 9 . 1 1 92 92 LEU H H 92 7.732 7.732 7.480 0.252 18096 6439 1 9 . 1 1 93 93 ASN N N 93 117.817 117.817 115.518 2.299 18096 6440 1 9 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.785 -0.109 18096 6441 1 9 . 1 1 93 93 ASN C C 93 174.955 174.955 173.140 1.815 18096 6442 1 9 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.517 0.738 18096 6443 1 9 . 1 1 93 93 ASN CB C 93 39.508 39.508 41.141 -1.633 18096 6444 1 9 . 1 1 93 93 ASN H H 93 7.916 7.916 8.339 -0.423 18096 6445 1 9 . 1 1 94 94 VAL N N 94 118.650 118.650 122.756 -4.106 18096 6446 1 9 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.265 -0.241 18096 6447 1 9 . 1 1 94 94 VAL C C 94 175.740 175.740 173.356 2.384 18096 6448 1 9 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.264 0.268 18096 6449 1 9 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.799 -1.167 18096 6450 1 9 . 1 1 94 94 VAL H H 94 7.730 7.730 8.301 -0.571 18096 6451 1 9 . 1 1 95 95 HIS N N 95 121.293 121.293 124.521 -3.228 18096 6452 1 9 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.447 0.172 18096 6453 1 9 . 1 1 95 95 HIS C C 95 174.146 174.146 173.566 0.580 18096 6454 1 9 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.551 0.031 18096 6455 1 9 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.350 -1.595 18096 6456 1 9 . 1 1 95 95 HIS H H 95 8.341 8.341 8.104 0.237 18096 6457 1 9 . 1 1 96 96 HIS N N 96 122.728 122.728 122.205 0.523 18096 6458 1 9 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.982 -0.347 18096 6459 1 9 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.504 0.078 18096 6460 1 9 . 1 1 96 96 HIS CB C 96 29.773 29.773 31.027 -1.254 18096 6461 1 9 . 1 1 96 96 HIS H H 96 8.333 8.333 8.357 -0.024 18096 6462 1 9 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.654 -0.359 18096 6463 1 9 . 1 1 97 97 ARG C C 97 175.776 175.776 174.981 0.795 18096 6464 1 9 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.245 -0.015 18096 6465 1 9 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.122 -0.092 18096 6466 1 9 . 1 1 98 98 SER N N 98 118.439 118.439 120.541 -2.102 18096 6467 1 9 . 1 1 98 98 SER HA H 98 4.736 4.736 4.978 -0.242 18096 6468 1 9 . 1 1 98 98 SER CA C 98 56.614 56.614 55.996 0.618 18096 6469 1 9 . 1 1 98 98 SER CB C 98 63.622 63.622 64.659 -1.037 18096 6470 1 9 . 1 1 98 98 SER H H 98 8.250 8.250 8.402 -0.152 18096 6471 1 9 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.429 -0.035 18096 6472 1 9 . 1 1 99 99 PRO C C 99 176.879 176.879 176.594 0.285 18096 6473 1 9 . 1 1 99 99 PRO CA C 99 63.697 63.697 63.984 -0.287 18096 6474 1 9 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.370 -0.324 18096 6475 1 9 . 1 1 100 100 GLU N N 100 120.297 120.297 118.324 1.973 18096 6476 1 9 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.466 -0.167 18096 6477 1 9 . 1 1 100 100 GLU C C 100 176.576 176.576 175.286 1.290 18096 6478 1 9 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.333 1.134 18096 6479 1 9 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.465 -1.521 18096 6480 1 9 . 1 1 100 100 GLU H H 100 8.391 8.391 7.953 0.438 18096 6481 1 9 . 1 1 101 101 THR N N 101 114.144 114.144 115.260 -1.116 18096 6482 1 9 . 1 1 101 101 THR HA H 101 4.280 4.280 4.200 0.080 18096 6483 1 9 . 1 1 101 101 THR C C 101 174.515 174.515 174.000 0.515 18096 6484 1 9 . 1 1 101 101 THR CA C 101 61.975 61.975 62.094 -0.119 18096 6485 1 9 . 1 1 101 101 THR CB C 101 69.817 69.817 69.409 0.408 18096 6486 1 9 . 1 1 101 101 THR H H 101 7.946 7.946 8.129 -0.183 18096 6487 1 9 . 1 1 102 102 HIS N N 102 120.429 120.429 119.212 1.217 18096 6488 1 9 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.994 -0.244 18096 6489 1 9 . 1 1 102 102 HIS C C 102 174.764 174.764 173.729 1.035 18096 6490 1 9 . 1 1 102 102 HIS CA C 102 55.685 55.685 54.930 0.755 18096 6491 1 9 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.819 -1.574 18096 6492 1 9 . 1 1 102 102 HIS H H 102 8.459 8.459 8.136 0.323 18096 6493 1 9 . 1 1 103 103 THR N N 103 114.319 114.319 113.074 1.245 18096 6494 1 9 . 1 1 103 103 THR HA H 103 4.345 4.345 5.139 -0.794 18096 6495 1 9 . 1 1 103 103 THR C C 103 175.087 175.087 173.974 1.113 18096 6496 1 9 . 1 1 103 103 THR CA C 103 61.976 61.976 60.887 1.089 18096 6497 1 9 . 1 1 103 103 THR CB C 103 69.831 69.831 71.741 -1.910 18096 6498 1 9 . 1 1 103 103 THR H H 103 8.068 8.068 9.045 -0.977 18096 6499 1 9 . 1 1 104 104 GLY N N 104 111.143 111.143 108.101 3.042 18096 6500 1 9 . 1 1 104 104 GLY C C 104 174.757 174.757 172.787 1.970 18096 6501 1 9 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.120 1.482 18096 6502 1 9 . 1 1 104 104 GLY H H 104 8.389 8.389 9.078 -0.689 18096 6503 1 9 . 1 1 105 105 GLY N N 105 108.642 108.642 106.317 2.325 18096 6504 1 9 . 1 1 105 105 GLY C C 105 174.892 174.892 174.729 0.163 18096 6505 1 9 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.946 -0.344 18096 6506 1 9 . 1 1 105 105 GLY H H 105 8.272 8.272 10.136 -1.864 18096 6507 1 9 . 1 1 106 106 GLY N N 106 108.820 108.820 109.613 -0.793 18096 6508 1 9 . 1 1 106 106 GLY C C 106 174.886 174.886 175.075 -0.189 18096 6509 1 9 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.191 0.411 18096 6510 1 9 . 1 1 106 106 GLY H H 106 8.359 8.359 8.562 -0.203 18096 6511 1 9 . 1 1 107 107 GLY N N 107 108.550 108.550 109.851 -1.301 18096 6512 1 9 . 1 1 107 107 GLY C C 107 174.886 174.886 174.884 0.002 18096 6513 1 9 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.967 0.635 18096 6514 1 9 . 1 1 107 107 GLY H H 107 8.338 8.338 8.195 0.143 18096 6515 1 9 . 1 1 108 108 GLY N N 108 108.519 108.519 106.980 1.539 18096 6516 1 9 . 1 1 108 108 GLY C C 108 175.411 175.411 175.307 0.104 18096 6517 1 9 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.358 1.449 18096 6518 1 9 . 1 1 108 108 GLY H H 108 8.336 8.336 8.204 0.132 18096 6519 1 9 . 1 1 109 109 ILE N N 109 120.914 120.914 122.020 -1.106 18096 6520 1 9 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.833 0.143 18096 6521 1 9 . 1 1 109 109 ILE C C 109 176.019 176.019 176.089 -0.070 18096 6522 1 9 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.804 -0.877 18096 6523 1 9 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.702 0.371 18096 6524 1 9 . 1 1 109 109 ILE H H 109 8.233 8.233 8.199 0.034 18096 6525 1 9 . 1 1 110 110 ASP N N 110 121.149 121.149 119.781 1.368 18096 6526 1 9 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.206 0.046 18096 6527 1 9 . 1 1 110 110 ASP C C 110 177.648 177.648 178.987 -1.339 18096 6528 1 9 . 1 1 110 110 ASP CA C 110 56.801 56.801 58.148 -1.347 18096 6529 1 9 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.532 0.649 18096 6530 1 9 . 1 1 110 110 ASP H H 110 8.369 8.369 8.582 -0.213 18096 6531 1 9 . 1 1 111 111 ARG N N 111 119.198 119.198 119.446 -0.248 18096 6532 1 9 . 1 1 111 111 ARG HA H 111 3.989 3.989 3.992 -0.003 18096 6533 1 9 . 1 1 111 111 ARG C C 111 177.502 177.502 178.907 -1.405 18096 6534 1 9 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.521 0.199 18096 6535 1 9 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.893 0.210 18096 6536 1 9 . 1 1 111 111 ARG H H 111 7.835 7.835 7.712 0.123 18096 6537 1 9 . 1 1 112 112 LEU N N 112 118.935 118.935 121.463 -2.528 18096 6538 1 9 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.076 -0.073 18096 6539 1 9 . 1 1 112 112 LEU C C 112 178.356 178.356 178.237 0.119 18096 6540 1 9 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.906 -0.671 18096 6541 1 9 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.048 -0.305 18096 6542 1 9 . 1 1 112 112 LEU H H 112 7.783 7.783 7.639 0.144 18096 6543 1 9 . 1 1 113 113 PHE N N 113 116.117 116.117 119.184 -3.067 18096 6544 1 9 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.223 -0.139 18096 6545 1 9 . 1 1 113 113 PHE C C 113 177.092 177.092 177.647 -0.555 18096 6546 1 9 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.995 1.397 18096 6547 1 9 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.001 -0.110 18096 6548 1 9 . 1 1 113 113 PHE H H 113 8.072 8.072 8.263 -0.191 18096 6549 1 9 . 1 1 114 114 LEU N N 114 118.710 118.710 119.603 -0.893 18096 6550 1 9 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.782 0.219 18096 6551 1 9 . 1 1 114 114 LEU C C 114 178.210 178.210 178.637 -0.427 18096 6552 1 9 . 1 1 114 114 LEU CA C 114 58.509 58.509 57.876 0.633 18096 6553 1 9 . 1 1 114 114 LEU CB C 114 41.784 41.784 40.922 0.862 18096 6554 1 9 . 1 1 114 114 LEU H H 114 7.881 7.881 7.856 0.025 18096 6555 1 9 . 1 1 115 115 TRP N N 115 117.801 117.801 121.636 -3.835 18096 6556 1 9 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.208 0.074 18096 6557 1 9 . 1 1 115 115 TRP C C 115 178.536 178.536 178.641 -0.105 18096 6558 1 9 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.602 0.142 18096 6559 1 9 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.899 -0.774 18096 6560 1 9 . 1 1 115 115 TRP H H 115 7.925 7.925 8.161 -0.236 18096 6561 1 9 . 1 1 116 116 ILE N N 116 118.212 118.212 115.318 2.894 18096 6562 1 9 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.467 0.227 18096 6563 1 9 . 1 1 116 116 ILE C C 116 177.423 177.423 177.533 -0.110 18096 6564 1 9 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.483 1.504 18096 6565 1 9 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.368 0.783 18096 6566 1 9 . 1 1 116 116 ILE H H 116 8.355 8.355 7.903 0.452 18096 6567 1 9 . 1 1 117 117 PHE N N 117 119.509 119.509 121.719 -2.210 18096 6568 1 9 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.329 -0.235 18096 6569 1 9 . 1 1 117 117 PHE C C 117 177.389 177.389 176.651 0.738 18096 6570 1 9 . 1 1 117 117 PHE CA C 117 61.945 61.945 59.626 2.319 18096 6571 1 9 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.730 0.209 18096 6572 1 9 . 1 1 117 117 PHE H H 117 8.419 8.419 7.423 0.996 18096 6573 1 9 . 1 1 118 118 VAL N N 118 118.927 118.927 119.532 -0.605 18096 6574 1 9 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.371 0.139 18096 6575 1 9 . 1 1 118 118 VAL C C 118 177.452 177.452 177.311 0.141 18096 6576 1 9 . 1 1 118 118 VAL CA C 118 67.440 67.440 65.870 1.570 18096 6577 1 9 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.045 0.417 18096 6578 1 9 . 1 1 118 118 VAL H H 118 8.509 8.509 8.033 0.476 18096 6579 1 9 . 1 1 119 119 PHE N N 119 118.638 118.638 120.786 -2.148 18096 6580 1 9 . 1 1 119 119 PHE HA H 119 4.040 4.040 3.988 0.052 18096 6581 1 9 . 1 1 119 119 PHE C C 119 177.403 177.403 177.023 0.380 18096 6582 1 9 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.913 0.690 18096 6583 1 9 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.316 -0.171 18096 6584 1 9 . 1 1 119 119 PHE H H 119 8.477 8.477 7.611 0.866 18096 6585 1 9 . 1 1 120 120 VAL N N 120 118.660 118.660 119.615 -0.955 18096 6586 1 9 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.794 -0.327 18096 6587 1 9 . 1 1 120 120 VAL C C 120 177.851 177.851 177.602 0.249 18096 6588 1 9 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.960 1.476 18096 6589 1 9 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.263 0.396 18096 6590 1 9 . 1 1 120 120 VAL H H 120 8.705 8.705 7.768 0.937 18096 6591 1 9 . 1 1 121 121 CYS N N 121 117.055 117.055 117.634 -0.579 18096 6592 1 9 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.128 -0.226 18096 6593 1 9 . 1 1 121 121 CYS C C 121 177.629 177.629 176.349 1.280 18096 6594 1 9 . 1 1 121 121 CYS CA C 121 64.339 64.339 61.644 2.695 18096 6595 1 9 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.588 0.201 18096 6596 1 9 . 1 1 121 121 CYS H H 121 7.981 7.981 7.550 0.431 18096 6597 1 9 . 1 1 122 122 VAL N N 122 120.422 120.422 120.961 -0.539 18096 6598 1 9 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.533 -0.054 18096 6599 1 9 . 1 1 122 122 VAL C C 122 176.923 176.923 177.553 -0.630 18096 6600 1 9 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.283 0.978 18096 6601 1 9 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.586 0.540 18096 6602 1 9 . 1 1 122 122 VAL H H 122 8.487 8.487 7.240 1.247 18096 6603 1 9 . 1 1 123 123 PHE N N 123 117.927 117.927 119.900 -1.973 18096 6604 1 9 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.226 -0.192 18096 6605 1 9 . 1 1 123 123 PHE C C 123 178.151 178.151 177.320 0.831 18096 6606 1 9 . 1 1 123 123 PHE CA C 123 62.094 62.094 60.113 1.981 18096 6607 1 9 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.747 -0.110 18096 6608 1 9 . 1 1 123 123 PHE H H 123 8.630 8.630 8.165 0.465 18096 6609 1 9 . 1 1 124 124 GLY N N 124 106.539 106.539 106.833 -0.294 18096 6610 1 9 . 1 1 124 124 GLY C C 124 174.290 174.290 175.615 -1.325 18096 6611 1 9 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.501 0.050 18096 6612 1 9 . 1 1 124 124 GLY H H 124 8.689 8.689 8.385 0.304 18096 6613 1 9 . 1 1 125 125 THR N N 125 117.059 117.059 118.680 -1.621 18096 6614 1 9 . 1 1 125 125 THR HA H 125 3.649 3.649 3.942 -0.293 18096 6615 1 9 . 1 1 125 125 THR C C 125 176.231 176.231 176.471 -0.240 18096 6616 1 9 . 1 1 125 125 THR CA C 125 67.989 67.989 67.411 0.578 18096 6617 1 9 . 1 1 125 125 THR H H 125 7.553 7.553 7.674 -0.121 18096 6618 1 9 . 1 1 126 126 ILE N N 126 119.538 119.538 120.786 -1.248 18096 6619 1 9 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.764 -0.116 18096 6620 1 9 . 1 1 126 126 ILE C C 126 177.976 177.976 177.821 0.155 18096 6621 1 9 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.778 0.937 18096 6622 1 9 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.631 0.199 18096 6623 1 9 . 1 1 126 126 ILE H H 126 8.003 8.003 7.509 0.494 18096 6624 1 9 . 1 1 127 127 GLY N N 127 105.404 105.404 107.791 -2.387 18096 6625 1 9 . 1 1 127 127 GLY C C 127 174.597 174.597 176.402 -1.805 18096 6626 1 9 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.799 0.770 18096 6627 1 9 . 1 1 127 127 GLY H H 127 8.438 8.438 7.711 0.727 18096 6628 1 9 . 1 1 128 128 MET N N 128 117.893 117.893 119.583 -1.690 18096 6629 1 9 . 1 1 128 128 MET HA H 128 4.153 4.153 4.313 -0.160 18096 6630 1 9 . 1 1 128 128 MET C C 128 177.815 177.815 177.473 0.342 18096 6631 1 9 . 1 1 128 128 MET CA C 128 58.198 58.198 57.934 0.265 18096 6632 1 9 . 1 1 128 128 MET CB C 128 32.113 32.113 32.652 -0.539 18096 6633 1 9 . 1 1 128 128 MET H H 128 7.821 7.821 7.572 0.249 18096 6634 1 9 . 1 1 129 129 PHE N N 129 116.018 116.018 120.797 -4.779 18096 6635 1 9 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.415 -0.281 18096 6636 1 9 . 1 1 129 129 PHE C C 129 175.863 175.863 175.365 0.498 18096 6637 1 9 . 1 1 129 129 PHE CA C 129 59.815 59.815 58.874 0.941 18096 6638 1 9 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.343 -0.253 18096 6639 1 9 . 1 1 129 129 PHE H H 129 7.797 7.797 7.935 -0.138 18096 6640 1 9 . 1 1 130 130 LEU N N 130 115.806 115.806 116.972 -1.166 18096 6641 1 9 . 1 1 130 130 LEU HA H 130 4.338 4.338 3.927 0.411 18096 6642 1 9 . 1 1 130 130 LEU C C 130 177.219 177.219 177.621 -0.402 18096 6643 1 9 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.888 0.579 18096 6644 1 9 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.069 0.355 18096 6645 1 9 . 1 1 130 130 LEU H H 130 7.745 7.745 7.373 0.372 18096 6646 1 9 . 1 1 131 131 GLN N N 131 118.630 118.630 119.622 -0.992 18096 6647 1 9 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.118 -0.014 18096 6648 1 9 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.023 2.296 18096 6649 1 9 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.405 -0.584 18096 6650 1 9 . 1 1 131 131 GLN H H 131 7.808 7.808 7.432 0.376 18096 6651 1 9 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.412 -0.039 18096 6652 1 9 . 1 1 132 132 PRO C C 132 177.739 177.739 176.961 0.778 18096 6653 1 9 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.784 2.599 18096 6654 1 9 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.179 -0.653 18096 6655 1 9 . 1 1 133 133 LEU N N 133 115.632 115.632 116.513 -0.881 18096 6656 1 9 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.118 -0.054 18096 6657 1 9 . 1 1 133 133 LEU C C 133 176.918 176.918 175.994 0.924 18096 6658 1 9 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.809 -0.408 18096 6659 1 9 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.023 -0.034 18096 6660 1 9 . 1 1 133 133 LEU H H 133 7.689 7.689 8.209 -0.520 18096 6661 1 9 . 1 1 134 134 PHE N N 134 114.807 114.807 116.448 -1.641 18096 6662 1 9 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.552 -0.023 18096 6663 1 9 . 1 1 134 134 PHE C C 134 175.245 175.245 175.161 0.084 18096 6664 1 9 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.560 0.178 18096 6665 1 9 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.684 -0.074 18096 6666 1 9 . 1 1 134 134 PHE H H 134 7.679 7.679 7.420 0.259 18096 6667 1 9 . 1 1 135 135 GLN N N 135 118.318 118.318 120.420 -2.102 18096 6668 1 9 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.165 0.150 18096 6669 1 9 . 1 1 135 135 GLN C C 135 175.361 175.361 175.289 0.072 18096 6670 1 9 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.802 -1.695 18096 6671 1 9 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.094 0.772 18096 6672 1 9 . 1 1 135 135 GLN H H 135 7.651 7.651 8.731 -1.080 18096 6673 1 9 . 1 1 136 136 GLU N N 136 120.684 120.684 119.249 1.435 18096 6674 1 9 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.198 0.113 18096 6675 1 9 . 1 1 136 136 GLU C C 136 175.153 175.153 175.785 -0.632 18096 6676 1 9 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.111 -0.636 18096 6677 1 9 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.265 0.967 18096 6678 1 9 . 1 1 136 136 GLU H H 136 8.109 8.109 8.517 -0.408 18096 6679 1 10 . 1 1 3 3 ALA N N 3 124.656 124.656 122.885 1.771 18096 6680 1 10 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.584 -0.378 18096 6681 1 10 . 1 1 3 3 ALA C C 3 178.133 178.133 175.666 2.467 18096 6682 1 10 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.144 1.541 18096 6683 1 10 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.593 -1.510 18096 6684 1 10 . 1 1 3 3 ALA H H 3 8.402 8.402 8.592 -0.190 18096 6685 1 10 . 1 1 4 4 GLU N N 4 117.439 117.439 117.918 -0.479 18096 6686 1 10 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.486 -0.357 18096 6687 1 10 . 1 1 4 4 GLU C C 4 176.534 176.534 176.875 -0.341 18096 6688 1 10 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.832 0.592 18096 6689 1 10 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.355 -0.471 18096 6690 1 10 . 1 1 4 4 GLU H H 4 8.219 8.219 8.567 -0.348 18096 6691 1 10 . 1 1 5 5 GLU N N 5 118.815 118.815 118.964 -0.149 18096 6692 1 10 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.347 -0.136 18096 6693 1 10 . 1 1 5 5 GLU C C 5 176.604 176.604 177.674 -1.070 18096 6694 1 10 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.371 -0.420 18096 6695 1 10 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.986 -0.024 18096 6696 1 10 . 1 1 5 5 GLU H H 5 7.992 7.992 8.294 -0.302 18096 6697 1 10 . 1 1 6 6 GLU N N 6 121.446 121.446 122.259 -0.813 18096 6698 1 10 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.263 -0.079 18096 6699 1 10 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.440 -3.019 18096 6700 1 10 . 1 1 6 6 GLU CB C 6 28.983 28.983 27.849 1.134 18096 6701 1 10 . 1 1 6 6 GLU H H 6 8.148 8.148 8.851 -0.703 18096 6702 1 10 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.380 -0.117 18096 6703 1 10 . 1 1 7 7 PRO C C 7 178.717 178.717 178.491 0.226 18096 6704 1 10 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.204 0.325 18096 6705 1 10 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.560 -0.237 18096 6706 1 10 . 1 1 8 8 LEU N N 8 119.642 119.642 119.008 0.634 18096 6707 1 10 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.234 -0.282 18096 6708 1 10 . 1 1 8 8 LEU C C 8 177.905 177.905 178.200 -0.295 18096 6709 1 10 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.269 0.662 18096 6710 1 10 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.785 -0.012 18096 6711 1 10 . 1 1 8 8 LEU H H 8 8.222 8.222 7.948 0.274 18096 6712 1 10 . 1 1 9 9 PHE N N 9 118.625 118.625 119.583 -0.958 18096 6713 1 10 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.125 0.047 18096 6714 1 10 . 1 1 9 9 PHE C C 9 177.620 177.620 177.012 0.608 18096 6715 1 10 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.621 -0.549 18096 6716 1 10 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.145 -0.307 18096 6717 1 10 . 1 1 9 9 PHE H H 9 8.071 8.071 7.914 0.157 18096 6718 1 10 . 1 1 10 10 TYR N N 10 117.829 117.829 119.347 -1.518 18096 6719 1 10 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.296 -0.106 18096 6720 1 10 . 1 1 10 10 TYR C C 10 177.743 177.743 177.512 0.231 18096 6721 1 10 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.042 -0.833 18096 6722 1 10 . 1 1 10 10 TYR CB C 10 38.715 38.715 39.129 -0.414 18096 6723 1 10 . 1 1 10 10 TYR H H 10 8.204 8.204 7.991 0.213 18096 6724 1 10 . 1 1 11 11 THR N N 11 115.545 115.545 114.825 0.720 18096 6725 1 10 . 1 1 11 11 THR HA H 11 3.875 3.875 3.564 0.311 18096 6726 1 10 . 1 1 11 11 THR C C 11 175.937 175.937 176.812 -0.875 18096 6727 1 10 . 1 1 11 11 THR CA C 11 67.187 67.187 65.866 1.321 18096 6728 1 10 . 1 1 11 11 THR CB C 11 68.579 68.579 68.275 0.304 18096 6729 1 10 . 1 1 11 11 THR H H 11 7.934 7.934 7.768 0.166 18096 6730 1 10 . 1 1 12 12 ILE N N 12 120.096 120.096 120.406 -0.310 18096 6731 1 10 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.652 0.030 18096 6732 1 10 . 1 1 12 12 ILE C C 12 175.863 175.863 177.598 -1.735 18096 6733 1 10 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.793 0.028 18096 6734 1 10 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.957 0.999 18096 6735 1 10 . 1 1 12 12 ILE H H 12 8.172 8.172 7.925 0.247 18096 6736 1 10 . 1 1 13 13 ASN N N 13 114.444 114.444 116.083 -1.639 18096 6737 1 10 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.500 -0.107 18096 6738 1 10 . 1 1 13 13 ASN C C 13 174.880 174.880 176.541 -1.661 18096 6739 1 10 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.514 -0.257 18096 6740 1 10 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.057 1.489 18096 6741 1 10 . 1 1 13 13 ASN H H 13 7.731 7.731 7.864 -0.133 18096 6742 1 10 . 1 1 14 14 LEU N N 14 115.306 115.306 118.811 -3.505 18096 6743 1 10 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.920 0.426 18096 6744 1 10 . 1 1 14 14 LEU C C 14 177.427 177.427 177.515 -0.088 18096 6745 1 10 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.305 0.065 18096 6746 1 10 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.174 -0.408 18096 6747 1 10 . 1 1 14 14 LEU H H 14 7.381 7.381 7.262 0.119 18096 6748 1 10 . 1 1 15 15 ILE N N 15 117.935 117.935 120.096 -2.161 18096 6749 1 10 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.753 -0.155 18096 6750 1 10 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.152 3.300 18096 6751 1 10 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.936 0.745 18096 6752 1 10 . 1 1 15 15 ILE H H 15 8.135 8.135 7.391 0.744 18096 6753 1 10 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.298 -0.252 18096 6754 1 10 . 1 1 17 17 PRO C C 17 177.518 177.518 178.664 -1.146 18096 6755 1 10 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.700 0.945 18096 6756 1 10 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.889 0.077 18096 6757 1 10 . 1 1 18 18 CYS N N 18 113.411 113.411 117.899 -4.488 18096 6758 1 10 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.045 -0.094 18096 6759 1 10 . 1 1 18 18 CYS C C 18 177.617 177.617 176.993 0.624 18096 6760 1 10 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.448 1.040 18096 6761 1 10 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.776 -1.008 18096 6762 1 10 . 1 1 18 18 CYS H H 18 7.338 7.338 7.434 -0.096 18096 6763 1 10 . 1 1 19 19 VAL N N 19 121.720 121.720 117.274 4.446 18096 6764 1 10 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.706 -0.185 18096 6765 1 10 . 1 1 19 19 VAL C C 19 178.069 178.069 177.429 0.640 18096 6766 1 10 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.832 1.234 18096 6767 1 10 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.177 0.575 18096 6768 1 10 . 1 1 19 19 VAL H H 19 8.587 8.587 7.761 0.826 18096 6769 1 10 . 1 1 20 20 LEU N N 20 121.731 121.731 122.254 -0.523 18096 6770 1 10 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.964 0.057 18096 6771 1 10 . 1 1 20 20 LEU C C 20 177.989 177.989 178.874 -0.885 18096 6772 1 10 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.338 0.311 18096 6773 1 10 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.979 -0.045 18096 6774 1 10 . 1 1 20 20 LEU H H 20 8.344 8.344 7.738 0.606 18096 6775 1 10 . 1 1 21 21 ILE N N 21 117.403 117.403 118.201 -0.798 18096 6776 1 10 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.669 0.000 18096 6777 1 10 . 1 1 21 21 ILE C C 21 176.947 176.947 177.854 -0.907 18096 6778 1 10 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.537 -0.181 18096 6779 1 10 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.830 0.088 18096 6780 1 10 . 1 1 21 21 ILE H H 21 8.371 8.371 8.515 -0.144 18096 6781 1 10 . 1 1 22 22 THR N N 22 115.544 115.544 115.623 -0.079 18096 6782 1 10 . 1 1 22 22 THR HA H 22 3.681 3.681 3.962 -0.281 18096 6783 1 10 . 1 1 22 22 THR C C 22 176.073 176.073 176.858 -0.785 18096 6784 1 10 . 1 1 22 22 THR CA C 22 68.152 68.152 66.676 1.476 18096 6785 1 10 . 1 1 22 22 THR CB C 22 68.428 68.428 68.156 0.272 18096 6786 1 10 . 1 1 22 22 THR H H 22 7.829 7.829 8.058 -0.229 18096 6787 1 10 . 1 1 23 23 SER N N 23 116.192 116.192 117.145 -0.953 18096 6788 1 10 . 1 1 23 23 SER HA H 23 4.023 4.023 4.003 0.020 18096 6789 1 10 . 1 1 23 23 SER C C 23 175.279 175.279 176.270 -0.991 18096 6790 1 10 . 1 1 23 23 SER CA C 23 63.884 63.884 61.919 1.965 18096 6791 1 10 . 1 1 23 23 SER CB C 23 62.971 62.971 62.722 0.249 18096 6792 1 10 . 1 1 23 23 SER H H 23 8.069 8.069 8.300 -0.231 18096 6793 1 10 . 1 1 24 24 LEU N N 24 120.855 120.855 120.989 -0.134 18096 6794 1 10 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.168 -0.187 18096 6795 1 10 . 1 1 24 24 LEU C C 24 177.542 177.542 178.888 -1.346 18096 6796 1 10 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.644 0.392 18096 6797 1 10 . 1 1 24 24 LEU CB C 24 41.941 41.941 40.975 0.966 18096 6798 1 10 . 1 1 24 24 LEU H H 24 7.858 7.858 7.601 0.257 18096 6799 1 10 . 1 1 25 25 ALA N N 25 119.507 119.507 121.571 -2.064 18096 6800 1 10 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.193 -0.253 18096 6801 1 10 . 1 1 25 25 ALA C C 25 177.915 177.915 179.991 -2.076 18096 6802 1 10 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.856 0.756 18096 6803 1 10 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.558 -0.307 18096 6804 1 10 . 1 1 25 25 ALA H H 25 8.141 8.141 7.683 0.458 18096 6805 1 10 . 1 1 26 26 ILE N N 26 115.689 115.689 120.038 -4.349 18096 6806 1 10 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.853 -0.055 18096 6807 1 10 . 1 1 26 26 ILE C C 26 177.729 177.729 177.867 -0.138 18096 6808 1 10 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.357 -0.017 18096 6809 1 10 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.016 -0.186 18096 6810 1 10 . 1 1 26 26 ILE H H 26 8.012 8.012 7.959 0.053 18096 6811 1 10 . 1 1 27 27 LEU N N 27 118.567 118.567 119.871 -1.304 18096 6812 1 10 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.127 -0.121 18096 6813 1 10 . 1 1 27 27 LEU C C 27 178.364 178.364 179.436 -1.072 18096 6814 1 10 . 1 1 27 27 LEU CA C 27 58.737 58.737 57.921 0.816 18096 6815 1 10 . 1 1 27 27 LEU CB C 27 41.837 41.837 40.646 1.191 18096 6816 1 10 . 1 1 27 27 LEU H H 27 8.045 8.045 8.541 -0.496 18096 6817 1 10 . 1 1 28 28 VAL N N 28 113.720 113.720 120.270 -6.550 18096 6818 1 10 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.872 -0.297 18096 6819 1 10 . 1 1 28 28 VAL C C 28 177.809 177.809 178.829 -1.020 18096 6820 1 10 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.011 0.002 18096 6821 1 10 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.568 0.482 18096 6822 1 10 . 1 1 28 28 VAL H H 28 8.008 8.008 7.533 0.475 18096 6823 1 10 . 1 1 29 29 PHE N N 29 115.458 115.458 120.148 -4.690 18096 6824 1 10 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.195 0.014 18096 6825 1 10 . 1 1 29 29 PHE C C 29 176.366 176.366 177.442 -1.076 18096 6826 1 10 . 1 1 29 29 PHE CA C 29 60.858 60.858 62.011 -1.153 18096 6827 1 10 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.444 0.153 18096 6828 1 10 . 1 1 29 29 PHE H H 29 7.915 7.915 7.815 0.100 18096 6829 1 10 . 1 1 30 30 TYR N N 30 115.649 115.649 116.511 -0.862 18096 6830 1 10 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.404 -0.163 18096 6831 1 10 . 1 1 30 30 TYR C C 30 175.388 175.388 176.373 -0.985 18096 6832 1 10 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.706 -1.319 18096 6833 1 10 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.466 0.174 18096 6834 1 10 . 1 1 30 30 TYR H H 30 8.002 8.002 7.803 0.199 18096 6835 1 10 . 1 1 31 31 LEU N N 31 121.144 121.144 119.777 1.367 18096 6836 1 10 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.829 -0.381 18096 6837 1 10 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.471 1.678 18096 6838 1 10 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.525 -0.189 18096 6839 1 10 . 1 1 31 31 LEU H H 31 7.514 7.514 7.912 -0.398 18096 6840 1 10 . 1 1 32 32 PRO C C 32 176.530 176.530 176.580 -0.050 18096 6841 1 10 . 1 1 33 33 SER N N 33 115.448 115.448 117.084 -1.636 18096 6842 1 10 . 1 1 33 33 SER HA H 33 4.317 4.317 4.474 -0.157 18096 6843 1 10 . 1 1 33 33 SER C C 33 174.174 174.174 174.063 0.111 18096 6844 1 10 . 1 1 33 33 SER CA C 33 59.954 59.954 58.617 1.337 18096 6845 1 10 . 1 1 33 33 SER H H 33 8.370 8.370 8.742 -0.372 18096 6846 1 10 . 1 1 34 34 ASP N N 34 119.694 119.694 118.607 1.087 18096 6847 1 10 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.789 -0.204 18096 6848 1 10 . 1 1 34 34 ASP C C 34 175.971 175.971 174.771 1.200 18096 6849 1 10 . 1 1 34 34 ASP CA C 34 54.442 54.442 53.444 0.998 18096 6850 1 10 . 1 1 34 34 ASP CB C 34 41.240 41.240 43.200 -1.960 18096 6851 1 10 . 1 1 34 34 ASP H H 34 8.209 8.209 7.772 0.437 18096 6852 1 10 . 1 1 35 35 CYS N N 35 114.872 114.872 118.869 -3.997 18096 6853 1 10 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.814 -0.611 18096 6854 1 10 . 1 1 35 35 CYS C C 35 175.147 175.147 176.151 -1.004 18096 6855 1 10 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.266 2.855 18096 6856 1 10 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.842 -0.956 18096 6857 1 10 . 1 1 35 35 CYS H H 35 7.750 7.750 8.554 -0.804 18096 6858 1 10 . 1 1 36 36 GLY N N 36 110.059 110.059 108.157 1.902 18096 6859 1 10 . 1 1 36 36 GLY C C 36 174.391 174.391 174.319 0.072 18096 6860 1 10 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.172 1.115 18096 6861 1 10 . 1 1 36 36 GLY H H 36 8.357 8.357 8.164 0.193 18096 6862 1 10 . 1 1 37 37 GLU N N 37 121.785 121.785 120.122 1.663 18096 6863 1 10 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.120 -0.054 18096 6864 1 10 . 1 1 37 37 GLU C C 37 176.536 176.536 178.367 -1.831 18096 6865 1 10 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.825 -0.299 18096 6866 1 10 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.717 0.013 18096 6867 1 10 . 1 1 37 37 GLU H H 37 8.359 8.359 8.651 -0.292 18096 6868 1 10 . 1 1 38 38 LYS N N 38 123.927 123.927 119.496 4.431 18096 6869 1 10 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.087 0.036 18096 6870 1 10 . 1 1 38 38 LYS C C 38 177.544 177.544 178.522 -0.978 18096 6871 1 10 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.429 -0.861 18096 6872 1 10 . 1 1 38 38 LYS CB C 38 31.677 31.677 32.024 -0.347 18096 6873 1 10 . 1 1 38 38 LYS H H 38 8.226 8.226 8.317 -0.091 18096 6874 1 10 . 1 1 39 39 MET N N 39 117.932 117.932 118.091 -0.159 18096 6875 1 10 . 1 1 39 39 MET HA H 39 4.135 4.135 4.207 -0.072 18096 6876 1 10 . 1 1 39 39 MET C C 39 178.602 178.602 178.399 0.203 18096 6877 1 10 . 1 1 39 39 MET CA C 39 58.851 58.851 59.100 -0.249 18096 6878 1 10 . 1 1 39 39 MET CB C 39 32.220 32.220 32.218 0.002 18096 6879 1 10 . 1 1 39 39 MET H H 39 8.262 8.262 8.416 -0.154 18096 6880 1 10 . 1 1 40 40 THR N N 40 117.201 117.201 115.481 1.720 18096 6881 1 10 . 1 1 40 40 THR HA H 40 3.673 3.673 3.994 -0.321 18096 6882 1 10 . 1 1 40 40 THR C C 40 175.927 175.927 176.638 -0.711 18096 6883 1 10 . 1 1 40 40 THR CA C 40 67.352 67.352 66.875 0.477 18096 6884 1 10 . 1 1 40 40 THR H H 40 8.341 8.341 7.643 0.698 18096 6885 1 10 . 1 1 41 41 LEU N N 41 120.040 120.040 122.841 -2.801 18096 6886 1 10 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.226 -0.174 18096 6887 1 10 . 1 1 41 41 LEU C C 41 177.809 177.809 178.666 -0.857 18096 6888 1 10 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.593 0.794 18096 6889 1 10 . 1 1 41 41 LEU H H 41 8.181 8.181 7.699 0.482 18096 6890 1 10 . 1 1 42 42 CYS N N 42 117.556 117.556 118.966 -1.410 18096 6891 1 10 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.112 -0.160 18096 6892 1 10 . 1 1 42 42 CYS C C 42 176.460 176.460 177.662 -1.202 18096 6893 1 10 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.281 1.215 18096 6894 1 10 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.535 0.298 18096 6895 1 10 . 1 1 42 42 CYS H H 42 7.949 7.949 7.864 0.085 18096 6896 1 10 . 1 1 43 43 ILE N N 43 117.336 117.336 120.212 -2.876 18096 6897 1 10 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.755 -0.126 18096 6898 1 10 . 1 1 43 43 ILE C C 43 177.256 177.256 177.801 -0.545 18096 6899 1 10 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.882 0.193 18096 6900 1 10 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.852 0.091 18096 6901 1 10 . 1 1 43 43 ILE H H 43 8.347 8.347 7.723 0.624 18096 6902 1 10 . 1 1 44 44 SER N N 44 116.243 116.243 115.991 0.252 18096 6903 1 10 . 1 1 44 44 SER HA H 44 4.083 4.083 4.245 -0.162 18096 6904 1 10 . 1 1 44 44 SER C C 44 176.305 176.305 176.549 -0.244 18096 6905 1 10 . 1 1 44 44 SER CA C 44 63.348 63.348 62.064 1.284 18096 6906 1 10 . 1 1 44 44 SER CB C 44 62.954 62.954 63.357 -0.403 18096 6907 1 10 . 1 1 44 44 SER H H 44 8.064 8.064 7.819 0.245 18096 6908 1 10 . 1 1 45 45 VAL N N 45 120.333 120.333 121.881 -1.548 18096 6909 1 10 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.828 -0.312 18096 6910 1 10 . 1 1 45 45 VAL C C 45 177.247 177.247 176.953 0.294 18096 6911 1 10 . 1 1 45 45 VAL CA C 45 66.938 66.938 64.944 1.995 18096 6912 1 10 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.567 0.193 18096 6913 1 10 . 1 1 45 45 VAL H H 45 8.036 8.036 8.600 -0.564 18096 6914 1 10 . 1 1 46 46 LEU N N 46 119.430 119.430 119.833 -0.403 18096 6915 1 10 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.081 -0.133 18096 6916 1 10 . 1 1 46 46 LEU C C 46 180.032 180.032 179.060 0.972 18096 6917 1 10 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.637 0.889 18096 6918 1 10 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.840 0.145 18096 6919 1 10 . 1 1 46 46 LEU H H 46 7.959 7.959 7.356 0.603 18096 6920 1 10 . 1 1 47 47 LEU N N 47 121.110 121.110 120.928 0.182 18096 6921 1 10 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.971 0.027 18096 6922 1 10 . 1 1 47 47 LEU C C 47 177.985 177.985 178.213 -0.228 18096 6923 1 10 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.292 0.146 18096 6924 1 10 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.827 0.219 18096 6925 1 10 . 1 1 47 47 LEU H H 47 8.695 8.695 7.587 1.108 18096 6926 1 10 . 1 1 48 48 ALA N N 48 121.251 121.251 121.510 -0.259 18096 6927 1 10 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.998 -0.153 18096 6928 1 10 . 1 1 48 48 ALA C C 48 178.834 178.834 179.483 -0.649 18096 6929 1 10 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.222 0.487 18096 6930 1 10 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.213 -0.080 18096 6931 1 10 . 1 1 48 48 ALA H H 48 8.272 8.272 7.797 0.475 18096 6932 1 10 . 1 1 49 49 LEU N N 49 116.290 116.290 118.201 -1.911 18096 6933 1 10 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.196 -0.199 18096 6934 1 10 . 1 1 49 49 LEU C C 49 178.068 178.068 178.863 -0.795 18096 6935 1 10 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.736 0.571 18096 6936 1 10 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.584 0.362 18096 6937 1 10 . 1 1 49 49 LEU H H 49 8.526 8.526 7.901 0.625 18096 6938 1 10 . 1 1 50 50 THR N N 50 115.495 115.495 116.255 -0.760 18096 6939 1 10 . 1 1 50 50 THR HA H 50 3.692 3.692 3.991 -0.299 18096 6940 1 10 . 1 1 50 50 THR C C 50 176.061 176.061 177.013 -0.952 18096 6941 1 10 . 1 1 50 50 THR CA C 50 68.786 68.786 67.217 1.569 18096 6942 1 10 . 1 1 50 50 THR H H 50 7.996 7.996 7.788 0.208 18096 6943 1 10 . 1 1 51 51 VAL N N 51 119.977 119.977 121.618 -1.641 18096 6944 1 10 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.606 -0.110 18096 6945 1 10 . 1 1 51 51 VAL C C 51 177.063 177.063 178.076 -1.013 18096 6946 1 10 . 1 1 51 51 VAL CA C 51 67.363 67.363 67.236 0.127 18096 6947 1 10 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.269 0.349 18096 6948 1 10 . 1 1 51 51 VAL H H 51 8.145 8.145 7.705 0.440 18096 6949 1 10 . 1 1 52 52 PHE N N 52 118.836 118.836 118.391 0.445 18096 6950 1 10 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.254 -0.152 18096 6951 1 10 . 1 1 52 52 PHE C C 52 176.721 176.721 178.108 -1.387 18096 6952 1 10 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.039 -0.400 18096 6953 1 10 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.465 0.864 18096 6954 1 10 . 1 1 52 52 PHE H H 52 8.354 8.354 7.521 0.833 18096 6955 1 10 . 1 1 53 53 LEU N N 53 117.271 117.271 120.706 -3.435 18096 6956 1 10 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.017 -0.145 18096 6957 1 10 . 1 1 53 53 LEU C C 53 179.184 179.184 178.541 0.643 18096 6958 1 10 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.506 -0.649 18096 6959 1 10 . 1 1 53 53 LEU CB C 53 41.995 41.995 42.011 -0.016 18096 6960 1 10 . 1 1 53 53 LEU H H 53 8.438 8.438 8.627 -0.189 18096 6961 1 10 . 1 1 54 54 LEU N N 54 119.310 119.310 118.906 0.404 18096 6962 1 10 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.027 -0.020 18096 6963 1 10 . 1 1 54 54 LEU C C 54 179.224 179.224 178.330 0.894 18096 6964 1 10 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.081 0.007 18096 6965 1 10 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.785 0.243 18096 6966 1 10 . 1 1 54 54 LEU H H 54 8.147 8.147 8.115 0.032 18096 6967 1 10 . 1 1 55 55 LEU N N 55 118.400 118.400 120.230 -1.830 18096 6968 1 10 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.989 0.111 18096 6969 1 10 . 1 1 55 55 LEU C C 55 178.974 178.974 178.580 0.394 18096 6970 1 10 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.325 -0.464 18096 6971 1 10 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.179 -0.207 18096 6972 1 10 . 1 1 55 55 LEU H H 55 8.096 8.096 7.255 0.841 18096 6973 1 10 . 1 1 56 56 ILE N N 56 115.919 115.919 117.602 -1.683 18096 6974 1 10 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.697 0.159 18096 6975 1 10 . 1 1 56 56 ILE C C 56 176.763 176.763 178.095 -1.332 18096 6976 1 10 . 1 1 56 56 ILE CA C 56 63.511 63.511 64.777 -1.266 18096 6977 1 10 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.687 0.002 18096 6978 1 10 . 1 1 56 56 ILE H H 56 8.028 8.028 7.816 0.212 18096 6979 1 10 . 1 1 57 57 SER N N 57 114.862 114.862 115.682 -0.820 18096 6980 1 10 . 1 1 57 57 SER HA H 57 4.178 4.178 4.162 0.016 18096 6981 1 10 . 1 1 57 57 SER C C 57 175.258 175.258 176.109 -0.851 18096 6982 1 10 . 1 1 57 57 SER CA C 57 60.946 60.946 61.481 -0.535 18096 6983 1 10 . 1 1 57 57 SER CB C 57 63.558 63.558 63.346 0.212 18096 6984 1 10 . 1 1 57 57 SER H H 57 7.689 7.689 8.224 -0.535 18096 6985 1 10 . 1 1 58 58 LYS N N 58 118.080 118.080 120.497 -2.417 18096 6986 1 10 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.173 0.114 18096 6987 1 10 . 1 1 58 58 LYS C C 58 176.668 176.668 176.767 -0.099 18096 6988 1 10 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.279 -1.172 18096 6989 1 10 . 1 1 58 58 LYS CB C 58 32.064 32.064 32.961 -0.897 18096 6990 1 10 . 1 1 58 58 LYS H H 58 7.595 7.595 7.533 0.062 18096 6991 1 10 . 1 1 59 59 ILE N N 59 116.926 116.926 118.562 -1.636 18096 6992 1 10 . 1 1 59 59 ILE HA H 59 4.034 4.034 3.792 0.242 18096 6993 1 10 . 1 1 59 59 ILE C C 59 175.226 175.226 174.302 0.924 18096 6994 1 10 . 1 1 59 59 ILE CA C 59 62.384 62.384 62.310 0.073 18096 6995 1 10 . 1 1 59 59 ILE CB C 59 38.073 38.073 38.032 0.041 18096 6996 1 10 . 1 1 59 59 ILE H H 59 7.706 7.706 7.485 0.221 18096 6997 1 10 . 1 1 60 60 VAL N N 60 119.235 119.235 119.617 -0.382 18096 6998 1 10 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.590 -0.264 18096 6999 1 10 . 1 1 60 60 VAL CA C 60 59.747 59.747 58.935 0.812 18096 7000 1 10 . 1 1 60 60 VAL CB C 60 32.266 32.266 32.223 0.043 18096 7001 1 10 . 1 1 60 60 VAL H H 60 7.586 7.586 8.086 -0.500 18096 7002 1 10 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.779 -0.135 18096 7003 1 10 . 1 1 61 61 PRO CA C 61 61.521 61.521 62.361 -0.840 18096 7004 1 10 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.913 0.223 18096 7005 1 10 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.329 0.162 18096 7006 1 10 . 1 1 62 62 PRO C C 62 176.912 176.912 176.577 0.335 18096 7007 1 10 . 1 1 62 62 PRO CA C 62 63.243 63.243 63.942 -0.699 18096 7008 1 10 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.109 -0.231 18096 7009 1 10 . 1 1 63 63 THR N N 63 111.607 111.607 112.101 -0.494 18096 7010 1 10 . 1 1 63 63 THR HA H 63 4.447 4.447 4.048 0.399 18096 7011 1 10 . 1 1 63 63 THR C C 63 174.725 174.725 173.674 1.051 18096 7012 1 10 . 1 1 63 63 THR CA C 63 61.245 61.245 62.984 -1.739 18096 7013 1 10 . 1 1 63 63 THR CB C 63 69.807 69.807 67.943 1.864 18096 7014 1 10 . 1 1 63 63 THR H H 63 7.915 7.915 8.308 -0.393 18096 7015 1 10 . 1 1 64 64 SER N N 64 116.516 116.516 113.382 3.134 18096 7016 1 10 . 1 1 64 64 SER HA H 64 4.411 4.411 4.506 -0.095 18096 7017 1 10 . 1 1 64 64 SER C C 64 174.580 174.580 172.747 1.833 18096 7018 1 10 . 1 1 64 64 SER CA C 64 58.608 58.608 57.178 1.430 18096 7019 1 10 . 1 1 64 64 SER CB C 64 63.742 63.742 64.126 -0.384 18096 7020 1 10 . 1 1 64 64 SER H H 64 8.127 8.127 7.831 0.296 18096 7021 1 10 . 1 1 65 65 SER N N 65 116.921 116.921 118.591 -1.670 18096 7022 1 10 . 1 1 65 65 SER HA H 65 4.453 4.453 4.881 -0.428 18096 7023 1 10 . 1 1 65 65 SER C C 65 174.100 174.100 173.474 0.626 18096 7024 1 10 . 1 1 65 65 SER CA C 65 58.584 58.584 57.727 0.857 18096 7025 1 10 . 1 1 65 65 SER CB C 65 63.668 63.668 63.860 -0.192 18096 7026 1 10 . 1 1 65 65 SER H H 65 8.169 8.169 8.653 -0.484 18096 7027 1 10 . 1 1 66 66 ASP N N 66 120.478 120.478 122.378 -1.900 18096 7028 1 10 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.864 -0.240 18096 7029 1 10 . 1 1 66 66 ASP C C 66 175.730 175.730 174.436 1.294 18096 7030 1 10 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.141 0.104 18096 7031 1 10 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.376 -0.181 18096 7032 1 10 . 1 1 66 66 ASP H H 66 8.154 8.154 8.349 -0.195 18096 7033 1 10 . 1 1 67 67 SER N N 67 115.159 115.159 114.988 0.171 18096 7034 1 10 . 1 1 67 67 SER HA H 67 4.528 4.528 4.782 -0.254 18096 7035 1 10 . 1 1 67 67 SER CA C 67 56.493 56.493 56.227 0.266 18096 7036 1 10 . 1 1 67 67 SER CB C 67 63.604 63.604 63.698 -0.094 18096 7037 1 10 . 1 1 67 67 SER H H 67 7.930 7.930 8.391 -0.461 18096 7038 1 10 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.559 -0.164 18096 7039 1 10 . 1 1 68 68 PRO C C 68 176.652 176.652 176.302 0.350 18096 7040 1 10 . 1 1 68 68 PRO CA C 68 63.593 63.593 63.339 0.254 18096 7041 1 10 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.288 -0.936 18096 7042 1 10 . 1 1 69 69 SER N N 69 115.859 115.859 112.644 3.215 18096 7043 1 10 . 1 1 69 69 SER HA H 69 4.436 4.436 4.273 0.163 18096 7044 1 10 . 1 1 69 69 SER C C 69 174.611 174.611 175.479 -0.868 18096 7045 1 10 . 1 1 69 69 SER CA C 69 58.264 58.264 58.373 -0.109 18096 7046 1 10 . 1 1 69 69 SER CB C 69 63.919 63.919 62.984 0.935 18096 7047 1 10 . 1 1 69 69 SER H H 69 8.256 8.256 8.265 -0.009 18096 7048 1 10 . 1 1 70 70 VAL N N 70 117.241 117.241 119.204 -1.963 18096 7049 1 10 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.199 -0.397 18096 7050 1 10 . 1 1 70 70 VAL C C 70 177.772 177.772 177.276 0.496 18096 7051 1 10 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.016 1.628 18096 7052 1 10 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.585 0.311 18096 7053 1 10 . 1 1 70 70 VAL H H 70 8.211 8.211 8.304 -0.093 18096 7054 1 10 . 1 1 71 71 GLY N N 71 106.999 106.999 108.069 -1.070 18096 7055 1 10 . 1 1 71 71 GLY C C 71 175.551 175.551 175.956 -0.405 18096 7056 1 10 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.838 0.407 18096 7057 1 10 . 1 1 71 71 GLY H H 71 8.566 8.566 8.554 0.012 18096 7058 1 10 . 1 1 72 72 GLU N N 72 121.376 121.376 122.616 -1.240 18096 7059 1 10 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.695 0.194 18096 7060 1 10 . 1 1 72 72 GLU C C 72 178.495 178.495 178.197 0.298 18096 7061 1 10 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.654 0.464 18096 7062 1 10 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.369 0.221 18096 7063 1 10 . 1 1 72 72 GLU H H 72 7.919 7.919 7.629 0.290 18096 7064 1 10 . 1 1 73 73 TYR N N 73 117.643 117.643 116.684 0.959 18096 7065 1 10 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.409 -0.347 18096 7066 1 10 . 1 1 73 73 TYR C C 73 179.921 179.921 178.477 1.444 18096 7067 1 10 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.431 1.699 18096 7068 1 10 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.995 0.922 18096 7069 1 10 . 1 1 73 73 TYR H H 73 8.095 8.095 7.313 0.782 18096 7070 1 10 . 1 1 74 74 LEU N N 74 121.712 121.712 121.392 0.320 18096 7071 1 10 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.052 0.011 18096 7072 1 10 . 1 1 74 74 LEU C C 74 178.385 178.385 178.244 0.141 18096 7073 1 10 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.193 1.282 18096 7074 1 10 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.666 0.272 18096 7075 1 10 . 1 1 74 74 LEU H H 74 8.615 8.615 8.082 0.533 18096 7076 1 10 . 1 1 75 75 MET N N 75 119.087 119.087 119.484 -0.397 18096 7077 1 10 . 1 1 75 75 MET HA H 75 4.056 4.056 3.894 0.162 18096 7078 1 10 . 1 1 75 75 MET C C 75 177.851 177.851 177.914 -0.063 18096 7079 1 10 . 1 1 75 75 MET CA C 75 59.166 59.166 59.619 -0.453 18096 7080 1 10 . 1 1 75 75 MET CB C 75 32.093 32.093 32.191 -0.098 18096 7081 1 10 . 1 1 75 75 MET H H 75 8.362 8.362 7.958 0.404 18096 7082 1 10 . 1 1 76 76 PHE N N 76 117.788 117.788 115.416 2.372 18096 7083 1 10 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.342 -0.237 18096 7084 1 10 . 1 1 76 76 PHE C C 76 177.305 177.305 177.981 -0.676 18096 7085 1 10 . 1 1 76 76 PHE CA C 76 61.376 61.376 59.908 1.468 18096 7086 1 10 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.551 1.410 18096 7087 1 10 . 1 1 76 76 PHE H H 76 8.471 8.471 7.444 1.027 18096 7088 1 10 . 1 1 77 77 THR N N 77 115.298 115.298 117.444 -2.146 18096 7089 1 10 . 1 1 77 77 THR HA H 77 3.673 3.673 4.193 -0.520 18096 7090 1 10 . 1 1 77 77 THR C C 77 176.057 176.057 176.169 -0.112 18096 7091 1 10 . 1 1 77 77 THR CA C 77 68.423 68.423 66.824 1.599 18096 7092 1 10 . 1 1 77 77 THR CB C 77 68.204 68.204 68.810 -0.606 18096 7093 1 10 . 1 1 77 77 THR H H 77 8.179 8.179 7.646 0.533 18096 7094 1 10 . 1 1 78 78 MET N N 78 119.204 119.204 122.132 -2.928 18096 7095 1 10 . 1 1 78 78 MET HA H 78 4.092 4.092 4.019 0.073 18096 7096 1 10 . 1 1 78 78 MET C C 78 179.421 179.421 178.215 1.206 18096 7097 1 10 . 1 1 78 78 MET CA C 78 58.810 58.810 59.848 -1.038 18096 7098 1 10 . 1 1 78 78 MET CB C 78 32.176 32.176 32.520 -0.344 18096 7099 1 10 . 1 1 78 78 MET H H 78 8.310 8.310 8.603 -0.293 18096 7100 1 10 . 1 1 79 79 VAL N N 79 122.115 122.115 119.535 2.580 18096 7101 1 10 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.651 -0.159 18096 7102 1 10 . 1 1 79 79 VAL C C 79 176.866 176.866 178.193 -1.327 18096 7103 1 10 . 1 1 79 79 VAL CA C 79 67.374 67.374 67.070 0.304 18096 7104 1 10 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.444 0.171 18096 7105 1 10 . 1 1 79 79 VAL H H 79 8.239 8.239 7.998 0.241 18096 7106 1 10 . 1 1 80 80 LEU N N 80 120.240 120.240 120.468 -0.228 18096 7107 1 10 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.271 -0.332 18096 7108 1 10 . 1 1 80 80 LEU C C 80 180.078 180.078 179.450 0.628 18096 7109 1 10 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.486 0.111 18096 7110 1 10 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.837 0.103 18096 7111 1 10 . 1 1 80 80 LEU H H 80 8.058 8.058 7.545 0.513 18096 7112 1 10 . 1 1 81 81 VAL N N 81 120.008 120.008 119.718 0.290 18096 7113 1 10 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.743 -0.285 18096 7114 1 10 . 1 1 81 81 VAL C C 81 177.670 177.670 178.674 -1.004 18096 7115 1 10 . 1 1 81 81 VAL CA C 81 67.337 67.337 66.545 0.792 18096 7116 1 10 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.415 0.200 18096 7117 1 10 . 1 1 81 81 VAL H H 81 8.800 8.800 8.702 0.098 18096 7118 1 10 . 1 1 82 82 THR N N 82 116.872 116.872 117.076 -0.204 18096 7119 1 10 . 1 1 82 82 THR HA H 82 3.676 3.676 3.928 -0.252 18096 7120 1 10 . 1 1 82 82 THR C C 82 176.268 176.268 177.019 -0.751 18096 7121 1 10 . 1 1 82 82 THR CA C 82 68.590 68.590 67.116 1.474 18096 7122 1 10 . 1 1 82 82 THR CB C 82 68.468 68.468 68.444 0.024 18096 7123 1 10 . 1 1 82 82 THR H H 82 8.109 8.109 8.191 -0.082 18096 7124 1 10 . 1 1 83 83 PHE N N 83 119.777 119.777 120.987 -1.210 18096 7125 1 10 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.321 -0.240 18096 7126 1 10 . 1 1 83 83 PHE C C 83 178.015 178.015 177.508 0.507 18096 7127 1 10 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.508 0.104 18096 7128 1 10 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.809 -0.123 18096 7129 1 10 . 1 1 83 83 PHE H H 83 8.754 8.754 7.828 0.926 18096 7130 1 10 . 1 1 84 84 SER N N 84 117.769 117.769 116.553 1.216 18096 7131 1 10 . 1 1 84 84 SER HA H 84 4.091 4.091 4.182 -0.091 18096 7132 1 10 . 1 1 84 84 SER C C 84 175.899 175.899 176.793 -0.894 18096 7133 1 10 . 1 1 84 84 SER CA C 84 63.269 63.269 61.205 2.064 18096 7134 1 10 . 1 1 84 84 SER CB C 84 62.962 62.962 63.354 -0.392 18096 7135 1 10 . 1 1 84 84 SER H H 84 8.335 8.335 7.872 0.463 18096 7136 1 10 . 1 1 85 85 ILE N N 85 122.986 122.986 122.388 0.598 18096 7137 1 10 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.779 -0.130 18096 7138 1 10 . 1 1 85 85 ILE C C 85 177.778 177.778 177.832 -0.054 18096 7139 1 10 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.871 1.633 18096 7140 1 10 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.477 1.638 18096 7141 1 10 . 1 1 85 85 ILE H H 85 8.187 8.187 8.376 -0.189 18096 7142 1 10 . 1 1 86 86 VAL N N 86 117.289 117.289 119.290 -2.001 18096 7143 1 10 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.658 -0.149 18096 7144 1 10 . 1 1 86 86 VAL C C 86 177.816 177.816 177.870 -0.054 18096 7145 1 10 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.189 -0.142 18096 7146 1 10 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.829 0.768 18096 7147 1 10 . 1 1 86 86 VAL H H 86 8.367 8.367 8.126 0.241 18096 7148 1 10 . 1 1 87 87 THR N N 87 116.788 116.788 112.889 3.899 18096 7149 1 10 . 1 1 87 87 THR HA H 87 3.758 3.758 3.873 -0.115 18096 7150 1 10 . 1 1 87 87 THR C C 87 176.095 176.095 176.683 -0.588 18096 7151 1 10 . 1 1 87 87 THR CA C 87 67.248 67.248 66.331 0.917 18096 7152 1 10 . 1 1 87 87 THR H H 87 8.007 8.007 7.266 0.741 18096 7153 1 10 . 1 1 88 88 SER N N 88 116.157 116.157 118.033 -1.876 18096 7154 1 10 . 1 1 88 88 SER HA H 88 4.018 4.018 4.133 -0.115 18096 7155 1 10 . 1 1 88 88 SER C C 88 174.932 174.932 176.460 -1.528 18096 7156 1 10 . 1 1 88 88 SER CA C 88 62.717 62.717 61.827 0.890 18096 7157 1 10 . 1 1 88 88 SER CB C 88 62.954 62.954 62.880 0.074 18096 7158 1 10 . 1 1 88 88 SER H H 88 7.662 7.662 7.628 0.034 18096 7159 1 10 . 1 1 89 89 VAL N N 89 117.956 117.956 121.050 -3.094 18096 7160 1 10 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.771 -0.255 18096 7161 1 10 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.093 1.173 18096 7162 1 10 . 1 1 89 89 VAL H H 89 8.274 8.274 7.897 0.377 18096 7163 1 10 . 1 1 90 90 CYS N N 90 116.319 116.319 117.552 -1.233 18096 7164 1 10 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.252 -0.023 18096 7165 1 10 . 1 1 90 90 CYS C C 90 175.174 175.174 176.242 -1.068 18096 7166 1 10 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.593 0.025 18096 7167 1 10 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.784 0.007 18096 7168 1 10 . 1 1 90 90 CYS H H 90 7.654 7.654 7.537 0.117 18096 7169 1 10 . 1 1 91 91 VAL N N 91 115.534 115.534 118.195 -2.661 18096 7170 1 10 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.824 -0.198 18096 7171 1 10 . 1 1 91 91 VAL C C 91 176.038 176.038 177.265 -1.227 18096 7172 1 10 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.186 -1.578 18096 7173 1 10 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.027 -0.105 18096 7174 1 10 . 1 1 91 91 VAL H H 91 7.760 7.760 7.360 0.400 18096 7175 1 10 . 1 1 92 92 LEU N N 92 119.713 119.713 121.076 -1.363 18096 7176 1 10 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.199 0.041 18096 7177 1 10 . 1 1 92 92 LEU C C 92 176.769 176.769 177.365 -0.596 18096 7178 1 10 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.376 -1.786 18096 7179 1 10 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.838 -0.906 18096 7180 1 10 . 1 1 92 92 LEU H H 92 7.732 7.732 7.567 0.165 18096 7181 1 10 . 1 1 93 93 ASN N N 93 117.817 117.817 115.041 2.776 18096 7182 1 10 . 1 1 93 93 ASN HA H 93 4.676 4.676 5.020 -0.344 18096 7183 1 10 . 1 1 93 93 ASN C C 93 174.955 174.955 173.283 1.672 18096 7184 1 10 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.617 0.638 18096 7185 1 10 . 1 1 93 93 ASN CB C 93 39.508 39.508 41.865 -2.357 18096 7186 1 10 . 1 1 93 93 ASN H H 93 7.916 7.916 8.082 -0.166 18096 7187 1 10 . 1 1 94 94 VAL N N 94 118.650 118.650 117.998 0.652 18096 7188 1 10 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.442 -0.418 18096 7189 1 10 . 1 1 94 94 VAL C C 94 175.740 175.740 174.764 0.976 18096 7190 1 10 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.337 1.195 18096 7191 1 10 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.858 -1.226 18096 7192 1 10 . 1 1 94 94 VAL H H 94 7.730 7.730 8.233 -0.503 18096 7193 1 10 . 1 1 95 95 HIS N N 95 121.293 121.293 126.589 -5.296 18096 7194 1 10 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.830 -0.211 18096 7195 1 10 . 1 1 95 95 HIS C C 95 174.146 174.146 173.500 0.646 18096 7196 1 10 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.291 -0.709 18096 7197 1 10 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.368 -1.613 18096 7198 1 10 . 1 1 95 95 HIS H H 95 8.341 8.341 8.560 -0.219 18096 7199 1 10 . 1 1 96 96 HIS N N 96 122.728 122.728 122.743 -0.015 18096 7200 1 10 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.689 -0.054 18096 7201 1 10 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.003 -0.421 18096 7202 1 10 . 1 1 96 96 HIS CB C 96 29.773 29.773 32.083 -2.310 18096 7203 1 10 . 1 1 96 96 HIS H H 96 8.333 8.333 8.223 0.111 18096 7204 1 10 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.254 0.041 18096 7205 1 10 . 1 1 97 97 ARG C C 97 175.776 175.776 175.426 0.350 18096 7206 1 10 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.666 -0.436 18096 7207 1 10 . 1 1 97 97 ARG CB C 97 31.030 31.030 29.008 2.022 18096 7208 1 10 . 1 1 98 98 SER N N 98 118.439 118.439 119.692 -1.253 18096 7209 1 10 . 1 1 98 98 SER HA H 98 4.736 4.736 4.785 -0.049 18096 7210 1 10 . 1 1 98 98 SER CA C 98 56.614 56.614 56.170 0.444 18096 7211 1 10 . 1 1 98 98 SER CB C 98 63.622 63.622 64.536 -0.914 18096 7212 1 10 . 1 1 98 98 SER H H 98 8.250 8.250 8.039 0.211 18096 7213 1 10 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.453 -0.059 18096 7214 1 10 . 1 1 99 99 PRO C C 99 176.879 176.879 176.747 0.132 18096 7215 1 10 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.236 -0.539 18096 7216 1 10 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.241 -0.195 18096 7217 1 10 . 1 1 100 100 GLU N N 100 120.297 120.297 118.678 1.619 18096 7218 1 10 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.643 -0.344 18096 7219 1 10 . 1 1 100 100 GLU C C 100 176.576 176.576 175.564 1.012 18096 7220 1 10 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.747 0.720 18096 7221 1 10 . 1 1 100 100 GLU CB C 100 29.944 29.944 32.600 -2.656 18096 7222 1 10 . 1 1 100 100 GLU H H 100 8.391 8.391 8.223 0.168 18096 7223 1 10 . 1 1 101 101 THR N N 101 114.144 114.144 111.648 2.496 18096 7224 1 10 . 1 1 101 101 THR HA H 101 4.280 4.280 4.727 -0.447 18096 7225 1 10 . 1 1 101 101 THR C C 101 174.515 174.515 173.894 0.621 18096 7226 1 10 . 1 1 101 101 THR CA C 101 61.975 61.975 61.109 0.866 18096 7227 1 10 . 1 1 101 101 THR CB C 101 69.817 69.817 70.186 -0.369 18096 7228 1 10 . 1 1 101 101 THR H H 101 7.946 7.946 8.428 -0.482 18096 7229 1 10 . 1 1 102 102 HIS N N 102 120.429 120.429 120.967 -0.538 18096 7230 1 10 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.828 -0.078 18096 7231 1 10 . 1 1 102 102 HIS C C 102 174.764 174.764 174.573 0.191 18096 7232 1 10 . 1 1 102 102 HIS CA C 102 55.685 55.685 56.123 -0.438 18096 7233 1 10 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.555 -1.310 18096 7234 1 10 . 1 1 102 102 HIS H H 102 8.459 8.459 8.585 -0.126 18096 7235 1 10 . 1 1 103 103 THR N N 103 114.319 114.319 112.134 2.185 18096 7236 1 10 . 1 1 103 103 THR HA H 103 4.345 4.345 4.373 -0.028 18096 7237 1 10 . 1 1 103 103 THR C C 103 175.087 175.087 175.063 0.024 18096 7238 1 10 . 1 1 103 103 THR CA C 103 61.976 61.976 60.592 1.384 18096 7239 1 10 . 1 1 103 103 THR CB C 103 69.831 69.831 70.738 -0.907 18096 7240 1 10 . 1 1 103 103 THR H H 103 8.068 8.068 7.721 0.347 18096 7241 1 10 . 1 1 104 104 GLY N N 104 111.143 111.143 107.402 3.741 18096 7242 1 10 . 1 1 104 104 GLY C C 104 174.757 174.757 174.640 0.117 18096 7243 1 10 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.858 0.744 18096 7244 1 10 . 1 1 104 104 GLY H H 104 8.389 8.389 8.255 0.134 18096 7245 1 10 . 1 1 105 105 GLY N N 105 108.642 108.642 108.903 -0.261 18096 7246 1 10 . 1 1 105 105 GLY C C 105 174.892 174.892 174.933 -0.041 18096 7247 1 10 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.167 1.435 18096 7248 1 10 . 1 1 105 105 GLY H H 105 8.272 8.272 8.100 0.172 18096 7249 1 10 . 1 1 106 106 GLY N N 106 108.820 108.820 109.157 -0.337 18096 7250 1 10 . 1 1 106 106 GLY C C 106 174.886 174.886 174.858 0.028 18096 7251 1 10 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.025 0.577 18096 7252 1 10 . 1 1 106 106 GLY H H 106 8.359 8.359 8.269 0.090 18096 7253 1 10 . 1 1 107 107 GLY N N 107 108.550 108.550 109.606 -1.056 18096 7254 1 10 . 1 1 107 107 GLY C C 107 174.886 174.886 175.461 -0.575 18096 7255 1 10 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.667 0.935 18096 7256 1 10 . 1 1 107 107 GLY H H 107 8.338 8.338 7.620 0.718 18096 7257 1 10 . 1 1 108 108 GLY N N 108 108.519 108.519 108.934 -0.415 18096 7258 1 10 . 1 1 108 108 GLY C C 108 175.411 175.411 175.740 -0.329 18096 7259 1 10 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.683 1.124 18096 7260 1 10 . 1 1 108 108 GLY H H 108 8.336 8.336 8.348 -0.012 18096 7261 1 10 . 1 1 109 109 ILE N N 109 120.914 120.914 122.040 -1.126 18096 7262 1 10 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.859 0.117 18096 7263 1 10 . 1 1 109 109 ILE C C 109 176.019 176.019 176.208 -0.189 18096 7264 1 10 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.034 -1.107 18096 7265 1 10 . 1 1 109 109 ILE CB C 109 38.073 38.073 38.074 -0.001 18096 7266 1 10 . 1 1 109 109 ILE H H 109 8.233 8.233 7.882 0.351 18096 7267 1 10 . 1 1 110 110 ASP N N 110 121.149 121.149 119.615 1.534 18096 7268 1 10 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.341 -0.089 18096 7269 1 10 . 1 1 110 110 ASP C C 110 177.648 177.648 178.738 -1.090 18096 7270 1 10 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.842 -1.041 18096 7271 1 10 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.863 -0.682 18096 7272 1 10 . 1 1 110 110 ASP H H 110 8.369 8.369 8.626 -0.257 18096 7273 1 10 . 1 1 111 111 ARG N N 111 119.198 119.198 119.979 -0.781 18096 7274 1 10 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.219 -0.230 18096 7275 1 10 . 1 1 111 111 ARG C C 111 177.502 177.502 178.888 -1.386 18096 7276 1 10 . 1 1 111 111 ARG CA C 111 58.720 58.720 59.233 -0.512 18096 7277 1 10 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.270 -0.167 18096 7278 1 10 . 1 1 111 111 ARG H H 111 7.835 7.835 7.791 0.044 18096 7279 1 10 . 1 1 112 112 LEU N N 112 118.935 118.935 119.536 -0.601 18096 7280 1 10 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.150 -0.147 18096 7281 1 10 . 1 1 112 112 LEU C C 112 178.356 178.356 178.644 -0.288 18096 7282 1 10 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.235 -0.000 18096 7283 1 10 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.785 -0.042 18096 7284 1 10 . 1 1 112 112 LEU H H 112 7.783 7.783 7.738 0.045 18096 7285 1 10 . 1 1 113 113 PHE N N 113 116.117 116.117 118.507 -2.390 18096 7286 1 10 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.253 -0.169 18096 7287 1 10 . 1 1 113 113 PHE C C 113 177.092 177.092 177.300 -0.208 18096 7288 1 10 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.681 0.711 18096 7289 1 10 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.266 -0.375 18096 7290 1 10 . 1 1 113 113 PHE H H 113 8.072 8.072 7.975 0.097 18096 7291 1 10 . 1 1 114 114 LEU N N 114 118.710 118.710 120.767 -2.057 18096 7292 1 10 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.117 -0.116 18096 7293 1 10 . 1 1 114 114 LEU C C 114 178.210 178.210 178.331 -0.121 18096 7294 1 10 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.948 -0.439 18096 7295 1 10 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.798 -0.014 18096 7296 1 10 . 1 1 114 114 LEU H H 114 7.881 7.881 7.814 0.067 18096 7297 1 10 . 1 1 115 115 TRP N N 115 117.801 117.801 121.132 -3.331 18096 7298 1 10 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.257 0.025 18096 7299 1 10 . 1 1 115 115 TRP C C 115 178.536 178.536 178.531 0.005 18096 7300 1 10 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.526 -0.782 18096 7301 1 10 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.456 -0.331 18096 7302 1 10 . 1 1 115 115 TRP H H 115 7.925 7.925 8.247 -0.322 18096 7303 1 10 . 1 1 116 116 ILE N N 116 118.212 118.212 115.780 2.432 18096 7304 1 10 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.791 -0.097 18096 7305 1 10 . 1 1 116 116 ILE C C 116 177.423 177.423 177.724 -0.301 18096 7306 1 10 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.628 1.359 18096 7307 1 10 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.318 0.833 18096 7308 1 10 . 1 1 116 116 ILE H H 116 8.355 8.355 7.619 0.736 18096 7309 1 10 . 1 1 117 117 PHE N N 117 119.509 119.509 121.446 -1.937 18096 7310 1 10 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.194 -0.100 18096 7311 1 10 . 1 1 117 117 PHE C C 117 177.389 177.389 176.325 1.064 18096 7312 1 10 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.529 1.415 18096 7313 1 10 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.132 -0.193 18096 7314 1 10 . 1 1 117 117 PHE H H 117 8.419 8.419 7.511 0.908 18096 7315 1 10 . 1 1 118 118 VAL N N 118 118.927 118.927 120.677 -1.750 18096 7316 1 10 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.218 0.292 18096 7317 1 10 . 1 1 118 118 VAL C C 118 177.452 177.452 177.550 -0.098 18096 7318 1 10 . 1 1 118 118 VAL CA C 118 67.440 67.440 65.621 1.819 18096 7319 1 10 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.477 -0.015 18096 7320 1 10 . 1 1 118 118 VAL H H 118 8.509 8.509 7.930 0.579 18096 7321 1 10 . 1 1 119 119 PHE N N 119 118.638 118.638 120.754 -2.116 18096 7322 1 10 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.185 -0.145 18096 7323 1 10 . 1 1 119 119 PHE C C 119 177.403 177.403 176.692 0.711 18096 7324 1 10 . 1 1 119 119 PHE CA C 119 62.603 62.603 60.786 1.817 18096 7325 1 10 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.224 -0.079 18096 7326 1 10 . 1 1 119 119 PHE H H 119 8.477 8.477 8.299 0.178 18096 7327 1 10 . 1 1 120 120 VAL N N 120 118.660 118.660 119.020 -0.360 18096 7328 1 10 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.695 -0.228 18096 7329 1 10 . 1 1 120 120 VAL C C 120 177.851 177.851 176.966 0.885 18096 7330 1 10 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.353 2.083 18096 7331 1 10 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.853 -0.194 18096 7332 1 10 . 1 1 120 120 VAL H H 120 8.705 8.705 7.627 1.078 18096 7333 1 10 . 1 1 121 121 CYS N N 121 117.055 117.055 117.544 -0.489 18096 7334 1 10 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.260 -0.358 18096 7335 1 10 . 1 1 121 121 CYS C C 121 177.629 177.629 175.942 1.687 18096 7336 1 10 . 1 1 121 121 CYS CA C 121 64.339 64.339 60.781 3.558 18096 7337 1 10 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.121 0.668 18096 7338 1 10 . 1 1 121 121 CYS H H 121 7.981 7.981 7.527 0.454 18096 7339 1 10 . 1 1 122 122 VAL N N 122 120.422 120.422 121.770 -1.348 18096 7340 1 10 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.724 -0.245 18096 7341 1 10 . 1 1 122 122 VAL C C 122 176.923 176.923 177.753 -0.830 18096 7342 1 10 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.830 0.431 18096 7343 1 10 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.349 0.777 18096 7344 1 10 . 1 1 122 122 VAL H H 122 8.487 8.487 7.845 0.642 18096 7345 1 10 . 1 1 123 123 PHE N N 123 117.927 117.927 120.146 -2.219 18096 7346 1 10 . 1 1 123 123 PHE HA H 123 4.034 4.034 3.964 0.070 18096 7347 1 10 . 1 1 123 123 PHE C C 123 178.151 178.151 176.891 1.260 18096 7348 1 10 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.546 0.548 18096 7349 1 10 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.682 -0.045 18096 7350 1 10 . 1 1 123 123 PHE H H 123 8.630 8.630 7.719 0.911 18096 7351 1 10 . 1 1 124 124 GLY N N 124 106.539 106.539 104.490 2.049 18096 7352 1 10 . 1 1 124 124 GLY C C 124 174.290 174.290 175.877 -1.587 18096 7353 1 10 . 1 1 124 124 GLY CA C 124 47.551 47.551 46.768 0.783 18096 7354 1 10 . 1 1 124 124 GLY H H 124 8.689 8.689 7.613 1.076 18096 7355 1 10 . 1 1 125 125 THR N N 125 117.059 117.059 119.383 -2.324 18096 7356 1 10 . 1 1 125 125 THR HA H 125 3.649 3.649 3.968 -0.319 18096 7357 1 10 . 1 1 125 125 THR C C 125 176.231 176.231 176.642 -0.411 18096 7358 1 10 . 1 1 125 125 THR CA C 125 67.989 67.989 67.152 0.837 18096 7359 1 10 . 1 1 125 125 THR H H 125 7.553 7.553 7.331 0.222 18096 7360 1 10 . 1 1 126 126 ILE N N 126 119.538 119.538 119.955 -0.417 18096 7361 1 10 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.840 -0.192 18096 7362 1 10 . 1 1 126 126 ILE C C 126 177.976 177.976 178.355 -0.379 18096 7363 1 10 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.583 2.132 18096 7364 1 10 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.329 1.501 18096 7365 1 10 . 1 1 126 126 ILE H H 126 8.003 8.003 8.294 -0.291 18096 7366 1 10 . 1 1 127 127 GLY N N 127 105.404 105.404 108.203 -2.799 18096 7367 1 10 . 1 1 127 127 GLY C C 127 174.597 174.597 176.198 -1.601 18096 7368 1 10 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.793 0.776 18096 7369 1 10 . 1 1 127 127 GLY H H 127 8.438 8.438 7.470 0.968 18096 7370 1 10 . 1 1 128 128 MET N N 128 117.893 117.893 119.044 -1.151 18096 7371 1 10 . 1 1 128 128 MET HA H 128 4.153 4.153 4.441 -0.288 18096 7372 1 10 . 1 1 128 128 MET C C 128 177.815 177.815 178.202 -0.387 18096 7373 1 10 . 1 1 128 128 MET CA C 128 58.198 58.198 57.849 0.349 18096 7374 1 10 . 1 1 128 128 MET CB C 128 32.113 32.113 33.053 -0.941 18096 7375 1 10 . 1 1 128 128 MET H H 128 7.821 7.821 7.514 0.307 18096 7376 1 10 . 1 1 129 129 PHE N N 129 116.018 116.018 121.915 -5.897 18096 7377 1 10 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.254 -0.120 18096 7378 1 10 . 1 1 129 129 PHE C C 129 175.863 175.863 175.250 0.613 18096 7379 1 10 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.584 -0.769 18096 7380 1 10 . 1 1 129 129 PHE CB C 129 39.090 39.090 38.930 0.160 18096 7381 1 10 . 1 1 129 129 PHE H H 129 7.797 7.797 8.419 -0.622 18096 7382 1 10 . 1 1 130 130 LEU N N 130 115.806 115.806 117.078 -1.272 18096 7383 1 10 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.019 0.319 18096 7384 1 10 . 1 1 130 130 LEU C C 130 177.219 177.219 177.721 -0.502 18096 7385 1 10 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.003 0.464 18096 7386 1 10 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.090 0.334 18096 7387 1 10 . 1 1 130 130 LEU H H 130 7.745 7.745 7.511 0.234 18096 7388 1 10 . 1 1 131 131 GLN N N 131 118.630 118.630 119.371 -0.741 18096 7389 1 10 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.084 0.020 18096 7390 1 10 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.215 2.104 18096 7391 1 10 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.355 -0.534 18096 7392 1 10 . 1 1 131 131 GLN H H 131 7.808 7.808 7.343 0.465 18096 7393 1 10 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.329 0.044 18096 7394 1 10 . 1 1 132 132 PRO C C 132 177.739 177.739 176.908 0.831 18096 7395 1 10 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.692 2.691 18096 7396 1 10 . 1 1 132 132 PRO CB C 132 31.526 31.526 31.986 -0.460 18096 7397 1 10 . 1 1 133 133 LEU N N 133 115.632 115.632 116.610 -0.978 18096 7398 1 10 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.101 -0.037 18096 7399 1 10 . 1 1 133 133 LEU C C 133 176.918 176.918 176.035 0.883 18096 7400 1 10 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.740 -0.340 18096 7401 1 10 . 1 1 133 133 LEU CB C 133 41.989 41.989 41.965 0.024 18096 7402 1 10 . 1 1 133 133 LEU H H 133 7.689 7.689 8.144 -0.455 18096 7403 1 10 . 1 1 134 134 PHE N N 134 114.807 114.807 116.478 -1.671 18096 7404 1 10 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.572 -0.043 18096 7405 1 10 . 1 1 134 134 PHE C C 134 175.245 175.245 174.964 0.281 18096 7406 1 10 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.560 0.178 18096 7407 1 10 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.697 -0.088 18096 7408 1 10 . 1 1 134 134 PHE H H 134 7.679 7.679 7.349 0.330 18096 7409 1 10 . 1 1 135 135 GLN N N 135 118.318 118.318 119.592 -1.274 18096 7410 1 10 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.178 0.137 18096 7411 1 10 . 1 1 135 135 GLN C C 135 175.361 175.361 175.268 0.093 18096 7412 1 10 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.087 -0.980 18096 7413 1 10 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.252 0.614 18096 7414 1 10 . 1 1 135 135 GLN H H 135 7.651 7.651 8.743 -1.092 18096 7415 1 10 . 1 1 136 136 GLU N N 136 120.684 120.684 119.999 0.685 18096 7416 1 10 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.260 0.051 18096 7417 1 10 . 1 1 136 136 GLU C C 136 175.153 175.153 175.130 0.023 18096 7418 1 10 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.327 -0.852 18096 7419 1 10 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.973 1.259 18096 7420 1 10 . 1 1 136 136 GLU H H 136 8.109 8.109 8.507 -0.398 18096 7421 1 11 . 1 1 3 3 ALA N N 3 124.656 124.656 126.178 -1.522 18096 7422 1 11 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.525 -0.319 18096 7423 1 11 . 1 1 3 3 ALA C C 3 178.133 178.133 177.168 0.965 18096 7424 1 11 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.852 1.833 18096 7425 1 11 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.183 -1.100 18096 7426 1 11 . 1 1 3 3 ALA H H 3 8.402 8.402 8.535 -0.133 18096 7427 1 11 . 1 1 4 4 GLU N N 4 117.439 117.439 123.284 -5.845 18096 7428 1 11 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.411 -0.282 18096 7429 1 11 . 1 1 4 4 GLU C C 4 176.534 176.534 176.260 0.274 18096 7430 1 11 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.825 0.599 18096 7431 1 11 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.852 0.031 18096 7432 1 11 . 1 1 4 4 GLU H H 4 8.219 8.219 8.492 -0.273 18096 7433 1 11 . 1 1 5 5 GLU N N 5 118.815 118.815 116.825 1.990 18096 7434 1 11 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.551 -0.340 18096 7435 1 11 . 1 1 5 5 GLU C C 5 176.604 176.604 176.530 0.074 18096 7436 1 11 . 1 1 5 5 GLU CA C 5 56.951 56.951 55.694 1.257 18096 7437 1 11 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.052 0.910 18096 7438 1 11 . 1 1 5 5 GLU H H 5 7.992 7.992 8.159 -0.167 18096 7439 1 11 . 1 1 6 6 GLU N N 6 121.446 121.446 123.110 -1.664 18096 7440 1 11 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.264 -0.080 18096 7441 1 11 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.927 -3.506 18096 7442 1 11 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.106 0.877 18096 7443 1 11 . 1 1 6 6 GLU H H 6 8.148 8.148 8.644 -0.496 18096 7444 1 11 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.447 -0.184 18096 7445 1 11 . 1 1 7 7 PRO C C 7 178.717 178.717 178.139 0.578 18096 7446 1 11 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.463 0.066 18096 7447 1 11 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.461 -0.138 18096 7448 1 11 . 1 1 8 8 LEU N N 8 119.642 119.642 117.591 2.051 18096 7449 1 11 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.407 -0.455 18096 7450 1 11 . 1 1 8 8 LEU C C 8 177.905 177.905 178.250 -0.345 18096 7451 1 11 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.447 1.484 18096 7452 1 11 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.310 0.463 18096 7453 1 11 . 1 1 8 8 LEU H H 8 8.222 8.222 7.951 0.271 18096 7454 1 11 . 1 1 9 9 PHE N N 9 118.625 118.625 121.117 -2.492 18096 7455 1 11 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.251 -0.079 18096 7456 1 11 . 1 1 9 9 PHE C C 9 177.620 177.620 176.389 1.231 18096 7457 1 11 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.920 0.152 18096 7458 1 11 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.907 -0.069 18096 7459 1 11 . 1 1 9 9 PHE H H 9 8.071 8.071 8.030 0.041 18096 7460 1 11 . 1 1 10 10 TYR N N 10 117.829 117.829 121.123 -3.294 18096 7461 1 11 . 1 1 10 10 TYR HA H 10 4.190 4.190 3.518 0.672 18096 7462 1 11 . 1 1 10 10 TYR C C 10 177.743 177.743 176.988 0.755 18096 7463 1 11 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.301 -0.092 18096 7464 1 11 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.069 0.646 18096 7465 1 11 . 1 1 10 10 TYR H H 10 8.204 8.204 7.602 0.602 18096 7466 1 11 . 1 1 11 11 THR N N 11 115.545 115.545 113.648 1.897 18096 7467 1 11 . 1 1 11 11 THR HA H 11 3.875 3.875 3.108 0.767 18096 7468 1 11 . 1 1 11 11 THR C C 11 175.937 175.937 176.260 -0.323 18096 7469 1 11 . 1 1 11 11 THR CA C 11 67.187 67.187 65.326 1.861 18096 7470 1 11 . 1 1 11 11 THR CB C 11 68.579 68.579 68.233 0.347 18096 7471 1 11 . 1 1 11 11 THR H H 11 7.934 7.934 7.405 0.529 18096 7472 1 11 . 1 1 12 12 ILE N N 12 120.096 120.096 119.827 0.269 18096 7473 1 11 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.564 0.118 18096 7474 1 11 . 1 1 12 12 ILE C C 12 175.863 175.863 177.567 -1.704 18096 7475 1 11 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.109 0.712 18096 7476 1 11 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.012 0.944 18096 7477 1 11 . 1 1 12 12 ILE H H 12 8.172 8.172 7.223 0.949 18096 7478 1 11 . 1 1 13 13 ASN N N 13 114.444 114.444 117.425 -2.981 18096 7479 1 11 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.468 -0.075 18096 7480 1 11 . 1 1 13 13 ASN C C 13 174.880 174.880 176.528 -1.648 18096 7481 1 11 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.245 0.012 18096 7482 1 11 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.370 1.176 18096 7483 1 11 . 1 1 13 13 ASN H H 13 7.731 7.731 7.428 0.303 18096 7484 1 11 . 1 1 14 14 LEU N N 14 115.306 115.306 118.771 -3.465 18096 7485 1 11 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.195 0.151 18096 7486 1 11 . 1 1 14 14 LEU C C 14 177.427 177.427 177.502 -0.075 18096 7487 1 11 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.221 0.149 18096 7488 1 11 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.226 -0.460 18096 7489 1 11 . 1 1 14 14 LEU H H 14 7.381 7.381 7.140 0.241 18096 7490 1 11 . 1 1 15 15 ILE N N 15 117.935 117.935 119.837 -1.902 18096 7491 1 11 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.733 -0.135 18096 7492 1 11 . 1 1 15 15 ILE CA C 15 65.452 65.452 61.989 3.463 18096 7493 1 11 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.858 0.823 18096 7494 1 11 . 1 1 15 15 ILE H H 15 8.135 8.135 7.314 0.821 18096 7495 1 11 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.306 -0.260 18096 7496 1 11 . 1 1 17 17 PRO C C 17 177.518 177.518 178.562 -1.044 18096 7497 1 11 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.652 0.993 18096 7498 1 11 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.945 0.021 18096 7499 1 11 . 1 1 18 18 CYS N N 18 113.411 113.411 118.235 -4.824 18096 7500 1 11 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.045 -0.094 18096 7501 1 11 . 1 1 18 18 CYS C C 18 177.617 177.617 176.997 0.620 18096 7502 1 11 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.375 1.113 18096 7503 1 11 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.268 -0.500 18096 7504 1 11 . 1 1 18 18 CYS H H 18 7.338 7.338 7.447 -0.109 18096 7505 1 11 . 1 1 19 19 VAL N N 19 121.720 121.720 118.973 2.747 18096 7506 1 11 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.720 -0.199 18096 7507 1 11 . 1 1 19 19 VAL C C 19 178.069 178.069 178.065 0.004 18096 7508 1 11 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.380 0.685 18096 7509 1 11 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.148 0.604 18096 7510 1 11 . 1 1 19 19 VAL H H 19 8.587 8.587 8.034 0.553 18096 7511 1 11 . 1 1 20 20 LEU N N 20 121.731 121.731 120.682 1.049 18096 7512 1 11 . 1 1 20 20 LEU HA H 20 4.021 4.021 4.049 -0.028 18096 7513 1 11 . 1 1 20 20 LEU C C 20 177.989 177.989 179.194 -1.205 18096 7514 1 11 . 1 1 20 20 LEU CA C 20 58.649 58.649 57.927 0.722 18096 7515 1 11 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.080 0.854 18096 7516 1 11 . 1 1 20 20 LEU H H 20 8.344 8.344 7.364 0.980 18096 7517 1 11 . 1 1 21 21 ILE N N 21 117.403 117.403 119.703 -2.300 18096 7518 1 11 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.587 0.082 18096 7519 1 11 . 1 1 21 21 ILE C C 21 176.947 176.947 177.992 -1.045 18096 7520 1 11 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.852 -0.496 18096 7521 1 11 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.727 0.191 18096 7522 1 11 . 1 1 21 21 ILE H H 21 8.371 8.371 8.506 -0.135 18096 7523 1 11 . 1 1 22 22 THR N N 22 115.544 115.544 116.148 -0.604 18096 7524 1 11 . 1 1 22 22 THR HA H 22 3.681 3.681 4.098 -0.417 18096 7525 1 11 . 1 1 22 22 THR C C 22 176.073 176.073 176.547 -0.474 18096 7526 1 11 . 1 1 22 22 THR CA C 22 68.152 68.152 67.299 0.853 18096 7527 1 11 . 1 1 22 22 THR CB C 22 68.428 68.428 68.585 -0.157 18096 7528 1 11 . 1 1 22 22 THR H H 22 7.829 7.829 7.652 0.177 18096 7529 1 11 . 1 1 23 23 SER N N 23 116.192 116.192 117.736 -1.544 18096 7530 1 11 . 1 1 23 23 SER HA H 23 4.023 4.023 4.195 -0.172 18096 7531 1 11 . 1 1 23 23 SER C C 23 175.279 175.279 176.577 -1.298 18096 7532 1 11 . 1 1 23 23 SER CA C 23 63.884 63.884 61.731 2.153 18096 7533 1 11 . 1 1 23 23 SER CB C 23 62.971 62.971 62.956 0.015 18096 7534 1 11 . 1 1 23 23 SER H H 23 8.069 8.069 7.691 0.378 18096 7535 1 11 . 1 1 24 24 LEU N N 24 120.855 120.855 121.979 -1.124 18096 7536 1 11 . 1 1 24 24 LEU HA H 24 3.981 3.981 3.980 0.001 18096 7537 1 11 . 1 1 24 24 LEU C C 24 177.542 177.542 179.037 -1.495 18096 7538 1 11 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.922 0.114 18096 7539 1 11 . 1 1 24 24 LEU CB C 24 41.941 41.941 40.911 1.030 18096 7540 1 11 . 1 1 24 24 LEU H H 24 7.858 7.858 7.544 0.314 18096 7541 1 11 . 1 1 25 25 ALA N N 25 119.507 119.507 121.587 -2.080 18096 7542 1 11 . 1 1 25 25 ALA HA H 25 3.940 3.940 3.840 0.100 18096 7543 1 11 . 1 1 25 25 ALA C C 25 177.915 177.915 179.950 -2.035 18096 7544 1 11 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.052 0.560 18096 7545 1 11 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.485 -0.234 18096 7546 1 11 . 1 1 25 25 ALA H H 25 8.141 8.141 7.530 0.611 18096 7547 1 11 . 1 1 26 26 ILE N N 26 115.689 115.689 119.368 -3.679 18096 7548 1 11 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.920 -0.122 18096 7549 1 11 . 1 1 26 26 ILE C C 26 177.729 177.729 178.093 -0.364 18096 7550 1 11 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.773 -0.433 18096 7551 1 11 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.072 -0.242 18096 7552 1 11 . 1 1 26 26 ILE H H 26 8.012 8.012 7.946 0.066 18096 7553 1 11 . 1 1 27 27 LEU N N 27 118.567 118.567 120.279 -1.712 18096 7554 1 11 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.086 -0.080 18096 7555 1 11 . 1 1 27 27 LEU C C 27 178.364 178.364 179.246 -0.882 18096 7556 1 11 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.210 0.527 18096 7557 1 11 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.902 -0.065 18096 7558 1 11 . 1 1 27 27 LEU H H 27 8.045 8.045 8.438 -0.393 18096 7559 1 11 . 1 1 28 28 VAL N N 28 113.720 113.720 118.976 -5.256 18096 7560 1 11 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.587 -0.012 18096 7561 1 11 . 1 1 28 28 VAL C C 28 177.809 177.809 177.845 -0.036 18096 7562 1 11 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.148 -0.135 18096 7563 1 11 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.700 0.350 18096 7564 1 11 . 1 1 28 28 VAL H H 28 8.008 8.008 7.422 0.586 18096 7565 1 11 . 1 1 29 29 PHE N N 29 115.458 115.458 117.844 -2.386 18096 7566 1 11 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.229 -0.020 18096 7567 1 11 . 1 1 29 29 PHE C C 29 176.366 176.366 177.804 -1.438 18096 7568 1 11 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.667 -0.809 18096 7569 1 11 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.728 0.869 18096 7570 1 11 . 1 1 29 29 PHE H H 29 7.915 7.915 7.522 0.393 18096 7571 1 11 . 1 1 30 30 TYR N N 30 115.649 115.649 116.326 -0.677 18096 7572 1 11 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.512 -0.271 18096 7573 1 11 . 1 1 30 30 TYR C C 30 175.388 175.388 175.859 -0.471 18096 7574 1 11 . 1 1 30 30 TYR CA C 30 59.386 59.386 61.290 -1.904 18096 7575 1 11 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.474 0.166 18096 7576 1 11 . 1 1 30 30 TYR H H 30 8.002 8.002 7.964 0.038 18096 7577 1 11 . 1 1 31 31 LEU N N 31 121.144 121.144 119.399 1.745 18096 7578 1 11 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.822 -0.374 18096 7579 1 11 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.603 1.546 18096 7580 1 11 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.562 -1.226 18096 7581 1 11 . 1 1 31 31 LEU H H 31 7.514 7.514 7.673 -0.159 18096 7582 1 11 . 1 1 32 32 PRO C C 32 176.530 176.530 176.428 0.102 18096 7583 1 11 . 1 1 33 33 SER N N 33 115.448 115.448 113.802 1.646 18096 7584 1 11 . 1 1 33 33 SER HA H 33 4.317 4.317 4.719 -0.402 18096 7585 1 11 . 1 1 33 33 SER C C 33 174.174 174.174 174.307 -0.133 18096 7586 1 11 . 1 1 33 33 SER CA C 33 59.954 59.954 56.861 3.093 18096 7587 1 11 . 1 1 33 33 SER H H 33 8.370 8.370 7.949 0.421 18096 7588 1 11 . 1 1 34 34 ASP N N 34 119.694 119.694 121.040 -1.346 18096 7589 1 11 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.821 -0.236 18096 7590 1 11 . 1 1 34 34 ASP C C 34 175.971 175.971 176.714 -0.743 18096 7591 1 11 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.301 -0.859 18096 7592 1 11 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.923 0.317 18096 7593 1 11 . 1 1 34 34 ASP H H 34 8.209 8.209 8.780 -0.571 18096 7594 1 11 . 1 1 35 35 CYS N N 35 114.872 114.872 119.421 -4.549 18096 7595 1 11 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.495 -0.292 18096 7596 1 11 . 1 1 35 35 CYS C C 35 175.147 175.147 175.787 -0.640 18096 7597 1 11 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.166 1.955 18096 7598 1 11 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.131 -0.245 18096 7599 1 11 . 1 1 35 35 CYS H H 35 7.750 7.750 7.790 -0.040 18096 7600 1 11 . 1 1 36 36 GLY N N 36 110.059 110.059 109.833 0.226 18096 7601 1 11 . 1 1 36 36 GLY C C 36 174.391 174.391 174.599 -0.208 18096 7602 1 11 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.885 1.402 18096 7603 1 11 . 1 1 36 36 GLY H H 36 8.357 8.357 7.734 0.623 18096 7604 1 11 . 1 1 37 37 GLU N N 37 121.785 121.785 119.488 2.297 18096 7605 1 11 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.015 0.051 18096 7606 1 11 . 1 1 37 37 GLU C C 37 176.536 176.536 177.880 -1.344 18096 7607 1 11 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.923 -0.397 18096 7608 1 11 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.795 -0.065 18096 7609 1 11 . 1 1 37 37 GLU H H 37 8.359 8.359 8.538 -0.179 18096 7610 1 11 . 1 1 38 38 LYS N N 38 123.927 123.927 118.325 5.602 18096 7611 1 11 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.861 0.262 18096 7612 1 11 . 1 1 38 38 LYS C C 38 177.544 177.544 178.368 -0.824 18096 7613 1 11 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.603 -1.034 18096 7614 1 11 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.730 -0.053 18096 7615 1 11 . 1 1 38 38 LYS H H 38 8.226 8.226 8.264 -0.038 18096 7616 1 11 . 1 1 39 39 MET N N 39 117.932 117.932 118.340 -0.408 18096 7617 1 11 . 1 1 39 39 MET HA H 39 4.135 4.135 4.394 -0.259 18096 7618 1 11 . 1 1 39 39 MET C C 39 178.602 178.602 177.993 0.609 18096 7619 1 11 . 1 1 39 39 MET CA C 39 58.851 58.851 57.361 1.490 18096 7620 1 11 . 1 1 39 39 MET CB C 39 32.220 32.220 32.243 -0.023 18096 7621 1 11 . 1 1 39 39 MET H H 39 8.262 8.262 7.649 0.613 18096 7622 1 11 . 1 1 40 40 THR N N 40 117.201 117.201 116.226 0.975 18096 7623 1 11 . 1 1 40 40 THR HA H 40 3.673 3.673 3.980 -0.307 18096 7624 1 11 . 1 1 40 40 THR C C 40 175.927 175.927 177.062 -1.135 18096 7625 1 11 . 1 1 40 40 THR CA C 40 67.352 67.352 66.131 1.221 18096 7626 1 11 . 1 1 40 40 THR H H 40 8.341 8.341 7.635 0.706 18096 7627 1 11 . 1 1 41 41 LEU N N 41 120.040 120.040 122.562 -2.522 18096 7628 1 11 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.231 -0.179 18096 7629 1 11 . 1 1 41 41 LEU C C 41 177.809 177.809 178.303 -0.494 18096 7630 1 11 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.758 0.629 18096 7631 1 11 . 1 1 41 41 LEU H H 41 8.181 8.181 8.227 -0.046 18096 7632 1 11 . 1 1 42 42 CYS N N 42 117.556 117.556 118.768 -1.212 18096 7633 1 11 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.022 -0.070 18096 7634 1 11 . 1 1 42 42 CYS C C 42 176.460 176.460 177.332 -0.872 18096 7635 1 11 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.059 1.437 18096 7636 1 11 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.100 -0.267 18096 7637 1 11 . 1 1 42 42 CYS H H 42 7.949 7.949 7.586 0.363 18096 7638 1 11 . 1 1 43 43 ILE N N 43 117.336 117.336 119.692 -2.356 18096 7639 1 11 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.707 -0.078 18096 7640 1 11 . 1 1 43 43 ILE C C 43 177.256 177.256 177.644 -0.388 18096 7641 1 11 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.987 0.088 18096 7642 1 11 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.940 0.004 18096 7643 1 11 . 1 1 43 43 ILE H H 43 8.347 8.347 7.791 0.556 18096 7644 1 11 . 1 1 44 44 SER N N 44 116.243 116.243 116.496 -0.253 18096 7645 1 11 . 1 1 44 44 SER HA H 44 4.083 4.083 4.252 -0.169 18096 7646 1 11 . 1 1 44 44 SER C C 44 176.305 176.305 176.819 -0.514 18096 7647 1 11 . 1 1 44 44 SER CA C 44 63.348 63.348 61.990 1.358 18096 7648 1 11 . 1 1 44 44 SER CB C 44 62.954 62.954 63.445 -0.491 18096 7649 1 11 . 1 1 44 44 SER H H 44 8.064 8.064 7.497 0.567 18096 7650 1 11 . 1 1 45 45 VAL N N 45 120.333 120.333 122.591 -2.258 18096 7651 1 11 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.840 -0.324 18096 7652 1 11 . 1 1 45 45 VAL C C 45 177.247 177.247 177.366 -0.119 18096 7653 1 11 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.118 1.820 18096 7654 1 11 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.410 0.350 18096 7655 1 11 . 1 1 45 45 VAL H H 45 8.036 8.036 8.362 -0.326 18096 7656 1 11 . 1 1 46 46 LEU N N 46 119.430 119.430 120.488 -1.058 18096 7657 1 11 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.105 -0.157 18096 7658 1 11 . 1 1 46 46 LEU C C 46 180.032 180.032 178.252 1.780 18096 7659 1 11 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.061 0.465 18096 7660 1 11 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.853 0.132 18096 7661 1 11 . 1 1 46 46 LEU H H 46 7.959 7.959 7.403 0.556 18096 7662 1 11 . 1 1 47 47 LEU N N 47 121.110 121.110 119.700 1.410 18096 7663 1 11 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.999 -0.001 18096 7664 1 11 . 1 1 47 47 LEU C C 47 177.985 177.985 179.046 -1.061 18096 7665 1 11 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.039 0.400 18096 7666 1 11 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.831 0.215 18096 7667 1 11 . 1 1 47 47 LEU H H 47 8.695 8.695 7.561 1.134 18096 7668 1 11 . 1 1 48 48 ALA N N 48 121.251 121.251 121.895 -0.644 18096 7669 1 11 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.957 -0.112 18096 7670 1 11 . 1 1 48 48 ALA C C 48 178.834 178.834 179.497 -0.663 18096 7671 1 11 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.215 0.494 18096 7672 1 11 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.220 -0.087 18096 7673 1 11 . 1 1 48 48 ALA H H 48 8.272 8.272 7.800 0.472 18096 7674 1 11 . 1 1 49 49 LEU N N 49 116.290 116.290 118.992 -2.702 18096 7675 1 11 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.215 -0.218 18096 7676 1 11 . 1 1 49 49 LEU C C 49 178.068 178.068 178.870 -0.802 18096 7677 1 11 . 1 1 49 49 LEU CA C 49 58.308 58.308 58.280 0.028 18096 7678 1 11 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.024 -0.078 18096 7679 1 11 . 1 1 49 49 LEU H H 49 8.526 8.526 7.687 0.839 18096 7680 1 11 . 1 1 50 50 THR N N 50 115.495 115.495 114.882 0.613 18096 7681 1 11 . 1 1 50 50 THR HA H 50 3.692 3.692 3.972 -0.280 18096 7682 1 11 . 1 1 50 50 THR C C 50 176.061 176.061 176.862 -0.801 18096 7683 1 11 . 1 1 50 50 THR CA C 50 68.786 68.786 66.374 2.412 18096 7684 1 11 . 1 1 50 50 THR H H 50 7.996 7.996 7.738 0.258 18096 7685 1 11 . 1 1 51 51 VAL N N 51 119.977 119.977 122.296 -2.319 18096 7686 1 11 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.641 -0.145 18096 7687 1 11 . 1 1 51 51 VAL C C 51 177.063 177.063 177.891 -0.828 18096 7688 1 11 . 1 1 51 51 VAL CA C 51 67.363 67.363 65.858 1.505 18096 7689 1 11 . 1 1 51 51 VAL CB C 51 31.618 31.618 30.882 0.736 18096 7690 1 11 . 1 1 51 51 VAL H H 51 8.145 8.145 7.755 0.390 18096 7691 1 11 . 1 1 52 52 PHE N N 52 118.836 118.836 119.054 -0.218 18096 7692 1 11 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.235 -0.133 18096 7693 1 11 . 1 1 52 52 PHE C C 52 176.721 176.721 177.910 -1.189 18096 7694 1 11 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.500 -0.861 18096 7695 1 11 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.436 0.893 18096 7696 1 11 . 1 1 52 52 PHE H H 52 8.354 8.354 7.905 0.449 18096 7697 1 11 . 1 1 53 53 LEU N N 53 117.271 117.271 120.446 -3.175 18096 7698 1 11 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.987 -0.115 18096 7699 1 11 . 1 1 53 53 LEU C C 53 179.184 179.184 178.988 0.196 18096 7700 1 11 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.256 -0.399 18096 7701 1 11 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.292 0.702 18096 7702 1 11 . 1 1 53 53 LEU H H 53 8.438 8.438 7.898 0.540 18096 7703 1 11 . 1 1 54 54 LEU N N 54 119.310 119.310 118.838 0.472 18096 7704 1 11 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.031 -0.024 18096 7705 1 11 . 1 1 54 54 LEU C C 54 179.224 179.224 179.284 -0.060 18096 7706 1 11 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.164 -0.076 18096 7707 1 11 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.796 0.233 18096 7708 1 11 . 1 1 54 54 LEU H H 54 8.147 8.147 7.628 0.519 18096 7709 1 11 . 1 1 55 55 LEU N N 55 118.400 118.400 120.802 -2.402 18096 7710 1 11 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.895 0.205 18096 7711 1 11 . 1 1 55 55 LEU C C 55 178.974 178.974 179.098 -0.124 18096 7712 1 11 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.642 -0.781 18096 7713 1 11 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.030 -0.058 18096 7714 1 11 . 1 1 55 55 LEU H H 55 8.096 8.096 7.500 0.596 18096 7715 1 11 . 1 1 56 56 ILE N N 56 115.919 115.919 117.864 -1.945 18096 7716 1 11 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.670 0.186 18096 7717 1 11 . 1 1 56 56 ILE C C 56 176.763 176.763 177.509 -0.746 18096 7718 1 11 . 1 1 56 56 ILE CA C 56 63.511 63.511 64.661 -1.150 18096 7719 1 11 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.969 -0.280 18096 7720 1 11 . 1 1 56 56 ILE H H 56 8.028 8.028 8.019 0.009 18096 7721 1 11 . 1 1 57 57 SER N N 57 114.862 114.862 114.666 0.196 18096 7722 1 11 . 1 1 57 57 SER HA H 57 4.178 4.178 4.204 -0.026 18096 7723 1 11 . 1 1 57 57 SER C C 57 175.258 175.258 176.076 -0.818 18096 7724 1 11 . 1 1 57 57 SER CA C 57 60.946 60.946 61.136 -0.190 18096 7725 1 11 . 1 1 57 57 SER CB C 57 63.558 63.558 63.400 0.158 18096 7726 1 11 . 1 1 57 57 SER H H 57 7.689 7.689 8.012 -0.323 18096 7727 1 11 . 1 1 58 58 LYS N N 58 118.080 118.080 120.429 -2.349 18096 7728 1 11 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.227 0.060 18096 7729 1 11 . 1 1 58 58 LYS C C 58 176.668 176.668 176.535 0.133 18096 7730 1 11 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.033 -0.926 18096 7731 1 11 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.234 -1.171 18096 7732 1 11 . 1 1 58 58 LYS H H 58 7.595 7.595 7.549 0.046 18096 7733 1 11 . 1 1 59 59 ILE N N 59 116.926 116.926 119.252 -2.326 18096 7734 1 11 . 1 1 59 59 ILE HA H 59 4.034 4.034 3.881 0.153 18096 7735 1 11 . 1 1 59 59 ILE C C 59 175.226 175.226 174.926 0.300 18096 7736 1 11 . 1 1 59 59 ILE CA C 59 62.384 62.384 62.238 0.146 18096 7737 1 11 . 1 1 59 59 ILE CB C 59 38.073 38.073 37.298 0.775 18096 7738 1 11 . 1 1 59 59 ILE H H 59 7.706 7.706 7.634 0.072 18096 7739 1 11 . 1 1 60 60 VAL N N 60 119.235 119.235 127.046 -7.811 18096 7740 1 11 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.461 -0.135 18096 7741 1 11 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.511 0.236 18096 7742 1 11 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.309 0.957 18096 7743 1 11 . 1 1 60 60 VAL H H 60 7.586 7.586 8.317 -0.731 18096 7744 1 11 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.795 -0.151 18096 7745 1 11 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.467 0.054 18096 7746 1 11 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.455 -0.319 18096 7747 1 11 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.466 0.025 18096 7748 1 11 . 1 1 62 62 PRO C C 62 176.912 176.912 176.746 0.166 18096 7749 1 11 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.727 -1.484 18096 7750 1 11 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.113 -0.235 18096 7751 1 11 . 1 1 63 63 THR N N 63 111.607 111.607 110.578 1.029 18096 7752 1 11 . 1 1 63 63 THR HA H 63 4.447 4.447 4.326 0.121 18096 7753 1 11 . 1 1 63 63 THR C C 63 174.725 174.725 173.025 1.700 18096 7754 1 11 . 1 1 63 63 THR CA C 63 61.245 61.245 62.113 -0.868 18096 7755 1 11 . 1 1 63 63 THR CB C 63 69.807 69.807 68.409 1.398 18096 7756 1 11 . 1 1 63 63 THR H H 63 7.915 7.915 7.682 0.233 18096 7757 1 11 . 1 1 64 64 SER N N 64 116.516 116.516 116.076 0.440 18096 7758 1 11 . 1 1 64 64 SER HA H 64 4.411 4.411 4.242 0.169 18096 7759 1 11 . 1 1 64 64 SER C C 64 174.580 174.580 173.695 0.885 18096 7760 1 11 . 1 1 64 64 SER CA C 64 58.608 58.608 59.446 -0.838 18096 7761 1 11 . 1 1 64 64 SER CB C 64 63.742 63.742 63.131 0.611 18096 7762 1 11 . 1 1 64 64 SER H H 64 8.127 8.127 8.226 -0.099 18096 7763 1 11 . 1 1 65 65 SER N N 65 116.921 116.921 119.738 -2.817 18096 7764 1 11 . 1 1 65 65 SER HA H 65 4.453 4.453 4.496 -0.043 18096 7765 1 11 . 1 1 65 65 SER C C 65 174.100 174.100 172.943 1.157 18096 7766 1 11 . 1 1 65 65 SER CA C 65 58.584 58.584 58.815 -0.231 18096 7767 1 11 . 1 1 65 65 SER CB C 65 63.668 63.668 63.825 -0.157 18096 7768 1 11 . 1 1 65 65 SER H H 65 8.169 8.169 8.358 -0.189 18096 7769 1 11 . 1 1 66 66 ASP N N 66 120.478 120.478 119.657 0.821 18096 7770 1 11 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.897 -0.273 18096 7771 1 11 . 1 1 66 66 ASP C C 66 175.730 175.730 173.784 1.946 18096 7772 1 11 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.062 0.183 18096 7773 1 11 . 1 1 66 66 ASP CB C 66 41.195 41.195 43.780 -2.585 18096 7774 1 11 . 1 1 66 66 ASP H H 66 8.154 8.154 8.021 0.133 18096 7775 1 11 . 1 1 67 67 SER N N 67 115.159 115.159 114.986 0.173 18096 7776 1 11 . 1 1 67 67 SER HA H 67 4.528 4.528 4.828 -0.300 18096 7777 1 11 . 1 1 67 67 SER CA C 67 56.493 56.493 56.835 -0.342 18096 7778 1 11 . 1 1 67 67 SER CB C 67 63.604 63.604 64.576 -0.972 18096 7779 1 11 . 1 1 67 67 SER H H 67 7.930 7.930 8.260 -0.330 18096 7780 1 11 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.561 -0.166 18096 7781 1 11 . 1 1 68 68 PRO C C 68 176.652 176.652 176.604 0.048 18096 7782 1 11 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.446 1.147 18096 7783 1 11 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.307 -0.955 18096 7784 1 11 . 1 1 69 69 SER N N 69 115.859 115.859 116.118 -0.259 18096 7785 1 11 . 1 1 69 69 SER HA H 69 4.436 4.436 4.530 -0.094 18096 7786 1 11 . 1 1 69 69 SER C C 69 174.611 174.611 175.199 -0.588 18096 7787 1 11 . 1 1 69 69 SER CA C 69 58.264 58.264 57.721 0.543 18096 7788 1 11 . 1 1 69 69 SER CB C 69 63.919 63.919 62.753 1.166 18096 7789 1 11 . 1 1 69 69 SER H H 69 8.256 8.256 8.479 -0.223 18096 7790 1 11 . 1 1 70 70 VAL N N 70 117.241 117.241 127.618 -10.377 18096 7791 1 11 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.033 -0.231 18096 7792 1 11 . 1 1 70 70 VAL C C 70 177.772 177.772 177.139 0.633 18096 7793 1 11 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.090 2.554 18096 7794 1 11 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.832 0.064 18096 7795 1 11 . 1 1 70 70 VAL H H 70 8.211 8.211 8.785 -0.574 18096 7796 1 11 . 1 1 71 71 GLY N N 71 106.999 106.999 107.020 -0.021 18096 7797 1 11 . 1 1 71 71 GLY C C 71 175.551 175.551 176.121 -0.570 18096 7798 1 11 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.837 0.408 18096 7799 1 11 . 1 1 71 71 GLY H H 71 8.566 8.566 8.565 0.001 18096 7800 1 11 . 1 1 72 72 GLU N N 72 121.376 121.376 122.972 -1.596 18096 7801 1 11 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.741 0.148 18096 7802 1 11 . 1 1 72 72 GLU C C 72 178.495 178.495 178.344 0.151 18096 7803 1 11 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.398 0.721 18096 7804 1 11 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.506 0.084 18096 7805 1 11 . 1 1 72 72 GLU H H 72 7.919 7.919 7.566 0.353 18096 7806 1 11 . 1 1 73 73 TYR N N 73 117.643 117.643 118.030 -0.387 18096 7807 1 11 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.370 -0.308 18096 7808 1 11 . 1 1 73 73 TYR C C 73 179.921 179.921 178.446 1.475 18096 7809 1 11 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.538 1.592 18096 7810 1 11 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.793 1.124 18096 7811 1 11 . 1 1 73 73 TYR H H 73 8.095 8.095 7.331 0.764 18096 7812 1 11 . 1 1 74 74 LEU N N 74 121.712 121.712 120.738 0.974 18096 7813 1 11 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.956 0.107 18096 7814 1 11 . 1 1 74 74 LEU C C 74 178.385 178.385 178.505 -0.120 18096 7815 1 11 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.645 0.829 18096 7816 1 11 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.470 0.468 18096 7817 1 11 . 1 1 74 74 LEU H H 74 8.615 8.615 8.674 -0.059 18096 7818 1 11 . 1 1 75 75 MET N N 75 119.087 119.087 119.056 0.031 18096 7819 1 11 . 1 1 75 75 MET HA H 75 4.056 4.056 3.864 0.192 18096 7820 1 11 . 1 1 75 75 MET C C 75 177.851 177.851 178.191 -0.340 18096 7821 1 11 . 1 1 75 75 MET CA C 75 59.166 59.166 59.211 -0.045 18096 7822 1 11 . 1 1 75 75 MET CB C 75 32.093 32.093 32.055 0.038 18096 7823 1 11 . 1 1 75 75 MET H H 75 8.362 8.362 7.646 0.716 18096 7824 1 11 . 1 1 76 76 PHE N N 76 117.788 117.788 116.036 1.752 18096 7825 1 11 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.378 -0.273 18096 7826 1 11 . 1 1 76 76 PHE C C 76 177.305 177.305 177.700 -0.395 18096 7827 1 11 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.241 1.135 18096 7828 1 11 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.816 1.145 18096 7829 1 11 . 1 1 76 76 PHE H H 76 8.471 8.471 7.384 1.087 18096 7830 1 11 . 1 1 77 77 THR N N 77 115.298 115.298 117.534 -2.236 18096 7831 1 11 . 1 1 77 77 THR HA H 77 3.673 3.673 3.998 -0.325 18096 7832 1 11 . 1 1 77 77 THR C C 77 176.057 176.057 176.452 -0.395 18096 7833 1 11 . 1 1 77 77 THR CA C 77 68.423 68.423 67.254 1.169 18096 7834 1 11 . 1 1 77 77 THR CB C 77 68.204 68.204 68.658 -0.454 18096 7835 1 11 . 1 1 77 77 THR H H 77 8.179 8.179 8.603 -0.424 18096 7836 1 11 . 1 1 78 78 MET N N 78 119.204 119.204 120.429 -1.225 18096 7837 1 11 . 1 1 78 78 MET HA H 78 4.092 4.092 4.189 -0.097 18096 7838 1 11 . 1 1 78 78 MET C C 78 179.421 179.421 178.447 0.974 18096 7839 1 11 . 1 1 78 78 MET CA C 78 58.810 58.810 58.516 0.294 18096 7840 1 11 . 1 1 78 78 MET CB C 78 32.176 32.176 31.910 0.265 18096 7841 1 11 . 1 1 78 78 MET H H 78 8.310 8.310 8.506 -0.196 18096 7842 1 11 . 1 1 79 79 VAL N N 79 122.115 122.115 119.778 2.337 18096 7843 1 11 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.737 -0.245 18096 7844 1 11 . 1 1 79 79 VAL C C 79 176.866 176.866 178.455 -1.589 18096 7845 1 11 . 1 1 79 79 VAL CA C 79 67.374 67.374 67.164 0.210 18096 7846 1 11 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.396 0.219 18096 7847 1 11 . 1 1 79 79 VAL H H 79 8.239 8.239 7.590 0.649 18096 7848 1 11 . 1 1 80 80 LEU N N 80 120.240 120.240 120.460 -0.220 18096 7849 1 11 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.121 -0.182 18096 7850 1 11 . 1 1 80 80 LEU C C 80 180.078 180.078 179.268 0.810 18096 7851 1 11 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.295 0.302 18096 7852 1 11 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.237 -0.296 18096 7853 1 11 . 1 1 80 80 LEU H H 80 8.058 8.058 7.722 0.336 18096 7854 1 11 . 1 1 81 81 VAL N N 81 120.008 120.008 119.509 0.499 18096 7855 1 11 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.666 -0.208 18096 7856 1 11 . 1 1 81 81 VAL C C 81 177.670 177.670 178.277 -0.607 18096 7857 1 11 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.172 0.165 18096 7858 1 11 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.807 -0.192 18096 7859 1 11 . 1 1 81 81 VAL H H 81 8.800 8.800 8.600 0.200 18096 7860 1 11 . 1 1 82 82 THR N N 82 116.872 116.872 117.247 -0.375 18096 7861 1 11 . 1 1 82 82 THR HA H 82 3.676 3.676 3.980 -0.304 18096 7862 1 11 . 1 1 82 82 THR C C 82 176.268 176.268 176.240 0.028 18096 7863 1 11 . 1 1 82 82 THR CA C 82 68.590 68.590 67.648 0.942 18096 7864 1 11 . 1 1 82 82 THR CB C 82 68.468 68.468 68.880 -0.412 18096 7865 1 11 . 1 1 82 82 THR H H 82 8.109 8.109 8.437 -0.328 18096 7866 1 11 . 1 1 83 83 PHE N N 83 119.777 119.777 120.173 -0.396 18096 7867 1 11 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.215 -0.134 18096 7868 1 11 . 1 1 83 83 PHE C C 83 178.015 178.015 177.482 0.533 18096 7869 1 11 . 1 1 83 83 PHE CA C 83 61.612 61.612 62.194 -0.582 18096 7870 1 11 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.858 -0.171 18096 7871 1 11 . 1 1 83 83 PHE H H 83 8.754 8.754 7.964 0.790 18096 7872 1 11 . 1 1 84 84 SER N N 84 117.769 117.769 116.052 1.717 18096 7873 1 11 . 1 1 84 84 SER HA H 84 4.091 4.091 4.176 -0.085 18096 7874 1 11 . 1 1 84 84 SER C C 84 175.899 175.899 176.470 -0.571 18096 7875 1 11 . 1 1 84 84 SER CA C 84 63.269 63.269 62.236 1.033 18096 7876 1 11 . 1 1 84 84 SER CB C 84 62.962 62.962 63.298 -0.336 18096 7877 1 11 . 1 1 84 84 SER H H 84 8.335 8.335 7.881 0.454 18096 7878 1 11 . 1 1 85 85 ILE N N 85 122.986 122.986 122.287 0.699 18096 7879 1 11 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.864 -0.215 18096 7880 1 11 . 1 1 85 85 ILE C C 85 177.778 177.778 178.099 -0.321 18096 7881 1 11 . 1 1 85 85 ILE CA C 85 65.504 65.504 62.869 2.635 18096 7882 1 11 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.313 1.802 18096 7883 1 11 . 1 1 85 85 ILE H H 85 8.187 8.187 8.256 -0.069 18096 7884 1 11 . 1 1 86 86 VAL N N 86 117.289 117.289 120.619 -3.330 18096 7885 1 11 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.533 -0.024 18096 7886 1 11 . 1 1 86 86 VAL C C 86 177.816 177.816 178.110 -0.294 18096 7887 1 11 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.242 -0.195 18096 7888 1 11 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.189 0.408 18096 7889 1 11 . 1 1 86 86 VAL H H 86 8.367 8.367 8.175 0.192 18096 7890 1 11 . 1 1 87 87 THR N N 87 116.788 116.788 116.253 0.535 18096 7891 1 11 . 1 1 87 87 THR HA H 87 3.758 3.758 3.762 -0.004 18096 7892 1 11 . 1 1 87 87 THR C C 87 176.095 176.095 176.803 -0.708 18096 7893 1 11 . 1 1 87 87 THR CA C 87 67.248 67.248 66.693 0.555 18096 7894 1 11 . 1 1 87 87 THR H H 87 8.007 8.007 7.504 0.503 18096 7895 1 11 . 1 1 88 88 SER N N 88 116.157 116.157 117.847 -1.690 18096 7896 1 11 . 1 1 88 88 SER HA H 88 4.018 4.018 4.090 -0.072 18096 7897 1 11 . 1 1 88 88 SER C C 88 174.932 174.932 176.410 -1.478 18096 7898 1 11 . 1 1 88 88 SER CA C 88 62.717 62.717 62.788 -0.071 18096 7899 1 11 . 1 1 88 88 SER CB C 88 62.954 62.954 62.934 0.020 18096 7900 1 11 . 1 1 88 88 SER H H 88 7.662 7.662 8.077 -0.415 18096 7901 1 11 . 1 1 89 89 VAL N N 89 117.956 117.956 121.009 -3.053 18096 7902 1 11 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.765 -0.249 18096 7903 1 11 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.256 1.010 18096 7904 1 11 . 1 1 89 89 VAL H H 89 8.274 8.274 8.209 0.065 18096 7905 1 11 . 1 1 90 90 CYS N N 90 116.319 116.319 118.329 -2.010 18096 7906 1 11 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.174 0.055 18096 7907 1 11 . 1 1 90 90 CYS C C 90 175.174 175.174 177.091 -1.917 18096 7908 1 11 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.096 -0.478 18096 7909 1 11 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.101 -0.310 18096 7910 1 11 . 1 1 90 90 CYS H H 90 7.654 7.654 7.496 0.158 18096 7911 1 11 . 1 1 91 91 VAL N N 91 115.534 115.534 119.409 -3.875 18096 7912 1 11 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.815 -0.189 18096 7913 1 11 . 1 1 91 91 VAL C C 91 176.038 176.038 177.717 -1.679 18096 7914 1 11 . 1 1 91 91 VAL CA C 91 63.608 63.608 66.013 -2.405 18096 7915 1 11 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.663 0.259 18096 7916 1 11 . 1 1 91 91 VAL H H 91 7.760 7.760 7.975 -0.215 18096 7917 1 11 . 1 1 92 92 LEU N N 92 119.713 119.713 119.179 0.534 18096 7918 1 11 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.092 0.148 18096 7919 1 11 . 1 1 92 92 LEU C C 92 176.769 176.769 178.235 -1.466 18096 7920 1 11 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.955 -1.365 18096 7921 1 11 . 1 1 92 92 LEU CB C 92 41.932 41.932 41.974 -0.042 18096 7922 1 11 . 1 1 92 92 LEU H H 92 7.732 7.732 7.944 -0.212 18096 7923 1 11 . 1 1 93 93 ASN N N 93 117.817 117.817 117.068 0.749 18096 7924 1 11 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.552 0.124 18096 7925 1 11 . 1 1 93 93 ASN C C 93 174.955 174.955 175.300 -0.345 18096 7926 1 11 . 1 1 93 93 ASN CA C 93 53.255 53.255 55.298 -2.043 18096 7927 1 11 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.203 0.305 18096 7928 1 11 . 1 1 93 93 ASN H H 93 7.916 7.916 7.869 0.047 18096 7929 1 11 . 1 1 94 94 VAL N N 94 118.650 118.650 113.436 5.214 18096 7930 1 11 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.124 -0.100 18096 7931 1 11 . 1 1 94 94 VAL C C 94 175.740 175.740 173.493 2.247 18096 7932 1 11 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.039 0.493 18096 7933 1 11 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.399 -0.767 18096 7934 1 11 . 1 1 94 94 VAL H H 94 7.730 7.730 7.511 0.219 18096 7935 1 11 . 1 1 95 95 HIS N N 95 121.293 121.293 123.278 -1.985 18096 7936 1 11 . 1 1 95 95 HIS HA H 95 4.619 4.619 5.008 -0.389 18096 7937 1 11 . 1 1 95 95 HIS C C 95 174.146 174.146 173.594 0.552 18096 7938 1 11 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.493 -0.911 18096 7939 1 11 . 1 1 95 95 HIS CB C 95 29.755 29.755 29.965 -0.210 18096 7940 1 11 . 1 1 95 95 HIS H H 95 8.341 8.341 8.671 -0.330 18096 7941 1 11 . 1 1 96 96 HIS N N 96 122.728 122.728 120.744 1.984 18096 7942 1 11 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.552 0.083 18096 7943 1 11 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.728 -1.146 18096 7944 1 11 . 1 1 96 96 HIS CB C 96 29.773 29.773 31.993 -2.220 18096 7945 1 11 . 1 1 96 96 HIS H H 96 8.333 8.333 8.746 -0.413 18096 7946 1 11 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.503 -0.208 18096 7947 1 11 . 1 1 97 97 ARG C C 97 175.776 175.776 174.689 1.087 18096 7948 1 11 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.651 0.579 18096 7949 1 11 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.603 -0.573 18096 7950 1 11 . 1 1 98 98 SER N N 98 118.439 118.439 119.743 -1.304 18096 7951 1 11 . 1 1 98 98 SER HA H 98 4.736 4.736 4.941 -0.205 18096 7952 1 11 . 1 1 98 98 SER CA C 98 56.614 56.614 56.727 -0.113 18096 7953 1 11 . 1 1 98 98 SER CB C 98 63.622 63.622 64.562 -0.940 18096 7954 1 11 . 1 1 98 98 SER H H 98 8.250 8.250 8.417 -0.167 18096 7955 1 11 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.446 -0.052 18096 7956 1 11 . 1 1 99 99 PRO C C 99 176.879 176.879 176.654 0.225 18096 7957 1 11 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.359 -0.662 18096 7958 1 11 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.093 -0.047 18096 7959 1 11 . 1 1 100 100 GLU N N 100 120.297 120.297 119.075 1.222 18096 7960 1 11 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.432 -0.133 18096 7961 1 11 . 1 1 100 100 GLU C C 100 176.576 176.576 175.358 1.218 18096 7962 1 11 . 1 1 100 100 GLU CA C 100 56.467 56.467 56.075 0.391 18096 7963 1 11 . 1 1 100 100 GLU CB C 100 29.944 29.944 30.979 -1.034 18096 7964 1 11 . 1 1 100 100 GLU H H 100 8.391 8.391 8.017 0.374 18096 7965 1 11 . 1 1 101 101 THR N N 101 114.144 114.144 116.172 -2.028 18096 7966 1 11 . 1 1 101 101 THR HA H 101 4.280 4.280 4.177 0.103 18096 7967 1 11 . 1 1 101 101 THR C C 101 174.515 174.515 173.292 1.223 18096 7968 1 11 . 1 1 101 101 THR CA C 101 61.975 61.975 61.600 0.375 18096 7969 1 11 . 1 1 101 101 THR CB C 101 69.817 69.817 69.106 0.711 18096 7970 1 11 . 1 1 101 101 THR H H 101 7.946 7.946 8.041 -0.095 18096 7971 1 11 . 1 1 102 102 HIS N N 102 120.429 120.429 124.900 -4.471 18096 7972 1 11 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.905 -0.155 18096 7973 1 11 . 1 1 102 102 HIS C C 102 174.764 174.764 174.364 0.400 18096 7974 1 11 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.246 0.439 18096 7975 1 11 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.155 -0.910 18096 7976 1 11 . 1 1 102 102 HIS H H 102 8.459 8.459 8.450 0.009 18096 7977 1 11 . 1 1 103 103 THR N N 103 114.319 114.319 114.570 -0.251 18096 7978 1 11 . 1 1 103 103 THR HA H 103 4.345 4.345 4.580 -0.235 18096 7979 1 11 . 1 1 103 103 THR C C 103 175.087 175.087 173.800 1.287 18096 7980 1 11 . 1 1 103 103 THR CA C 103 61.976 61.976 61.645 0.331 18096 7981 1 11 . 1 1 103 103 THR CB C 103 69.831 69.831 70.660 -0.829 18096 7982 1 11 . 1 1 103 103 THR H H 103 8.068 8.068 7.626 0.442 18096 7983 1 11 . 1 1 104 104 GLY N N 104 111.143 111.143 107.750 3.393 18096 7984 1 11 . 1 1 104 104 GLY C C 104 174.757 174.757 174.060 0.697 18096 7985 1 11 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.245 0.357 18096 7986 1 11 . 1 1 104 104 GLY H H 104 8.389 8.389 8.706 -0.317 18096 7987 1 11 . 1 1 105 105 GLY N N 105 108.642 108.642 107.830 0.812 18096 7988 1 11 . 1 1 105 105 GLY C C 105 174.892 174.892 175.134 -0.242 18096 7989 1 11 . 1 1 105 105 GLY CA C 105 45.602 45.602 46.015 -0.413 18096 7990 1 11 . 1 1 105 105 GLY H H 105 8.272 8.272 8.931 -0.659 18096 7991 1 11 . 1 1 106 106 GLY N N 106 108.820 108.820 108.855 -0.035 18096 7992 1 11 . 1 1 106 106 GLY C C 106 174.886 174.886 173.590 1.296 18096 7993 1 11 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.606 0.996 18096 7994 1 11 . 1 1 106 106 GLY H H 106 8.359 8.359 8.094 0.265 18096 7995 1 11 . 1 1 107 107 GLY N N 107 108.550 108.550 108.630 -0.080 18096 7996 1 11 . 1 1 107 107 GLY C C 107 174.886 174.886 175.183 -0.297 18096 7997 1 11 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.783 0.819 18096 7998 1 11 . 1 1 107 107 GLY H H 107 8.338 8.338 8.391 -0.053 18096 7999 1 11 . 1 1 108 108 GLY N N 108 108.519 108.519 113.983 -5.464 18096 8000 1 11 . 1 1 108 108 GLY C C 108 175.411 175.411 175.571 -0.160 18096 8001 1 11 . 1 1 108 108 GLY CA C 108 45.807 45.807 45.533 0.274 18096 8002 1 11 . 1 1 108 108 GLY H H 108 8.336 8.336 8.080 0.256 18096 8003 1 11 . 1 1 109 109 ILE N N 109 120.914 120.914 121.610 -0.696 18096 8004 1 11 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.806 0.170 18096 8005 1 11 . 1 1 109 109 ILE C C 109 176.019 176.019 176.102 -0.083 18096 8006 1 11 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.826 -0.899 18096 8007 1 11 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.613 0.460 18096 8008 1 11 . 1 1 109 109 ILE H H 109 8.233 8.233 8.298 -0.065 18096 8009 1 11 . 1 1 110 110 ASP N N 110 121.149 121.149 119.548 1.601 18096 8010 1 11 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.437 -0.185 18096 8011 1 11 . 1 1 110 110 ASP C C 110 177.648 177.648 178.779 -1.131 18096 8012 1 11 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.588 -0.787 18096 8013 1 11 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.165 0.016 18096 8014 1 11 . 1 1 110 110 ASP H H 110 8.369 8.369 8.416 -0.047 18096 8015 1 11 . 1 1 111 111 ARG N N 111 119.198 119.198 120.513 -1.315 18096 8016 1 11 . 1 1 111 111 ARG HA H 111 3.989 3.989 3.929 0.060 18096 8017 1 11 . 1 1 111 111 ARG C C 111 177.502 177.502 178.822 -1.320 18096 8018 1 11 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.956 -0.236 18096 8019 1 11 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.262 -0.159 18096 8020 1 11 . 1 1 111 111 ARG H H 111 7.835 7.835 7.500 0.335 18096 8021 1 11 . 1 1 112 112 LEU N N 112 118.935 118.935 120.635 -1.700 18096 8022 1 11 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.020 -0.017 18096 8023 1 11 . 1 1 112 112 LEU C C 112 178.356 178.356 178.155 0.201 18096 8024 1 11 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.604 -0.369 18096 8025 1 11 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.964 -0.221 18096 8026 1 11 . 1 1 112 112 LEU H H 112 7.783 7.783 8.407 -0.624 18096 8027 1 11 . 1 1 113 113 PHE N N 113 116.117 116.117 118.908 -2.791 18096 8028 1 11 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.198 -0.114 18096 8029 1 11 . 1 1 113 113 PHE C C 113 177.092 177.092 177.005 0.087 18096 8030 1 11 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.583 1.809 18096 8031 1 11 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.719 0.172 18096 8032 1 11 . 1 1 113 113 PHE H H 113 8.072 8.072 7.683 0.389 18096 8033 1 11 . 1 1 114 114 LEU N N 114 118.710 118.710 120.208 -1.498 18096 8034 1 11 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.407 0.594 18096 8035 1 11 . 1 1 114 114 LEU C C 114 178.210 178.210 178.279 -0.069 18096 8036 1 11 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.191 -0.683 18096 8037 1 11 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.489 0.295 18096 8038 1 11 . 1 1 114 114 LEU H H 114 7.881 7.881 7.930 -0.049 18096 8039 1 11 . 1 1 115 115 TRP N N 115 117.801 117.801 120.495 -2.694 18096 8040 1 11 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.436 -0.154 18096 8041 1 11 . 1 1 115 115 TRP C C 115 178.536 178.536 178.628 -0.092 18096 8042 1 11 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.861 -1.117 18096 8043 1 11 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.995 -0.870 18096 8044 1 11 . 1 1 115 115 TRP H H 115 7.925 7.925 8.006 -0.081 18096 8045 1 11 . 1 1 116 116 ILE N N 116 118.212 118.212 120.010 -1.798 18096 8046 1 11 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.658 0.036 18096 8047 1 11 . 1 1 116 116 ILE C C 116 177.423 177.423 177.508 -0.085 18096 8048 1 11 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.053 0.934 18096 8049 1 11 . 1 1 116 116 ILE CB C 116 38.151 38.151 38.067 0.084 18096 8050 1 11 . 1 1 116 116 ILE H H 116 8.355 8.355 8.714 -0.359 18096 8051 1 11 . 1 1 117 117 PHE N N 117 119.509 119.509 120.272 -0.763 18096 8052 1 11 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.223 -0.129 18096 8053 1 11 . 1 1 117 117 PHE C C 117 177.389 177.389 176.611 0.778 18096 8054 1 11 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.044 0.902 18096 8055 1 11 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.899 0.040 18096 8056 1 11 . 1 1 117 117 PHE H H 117 8.419 8.419 7.454 0.965 18096 8057 1 11 . 1 1 118 118 VAL N N 118 118.927 118.927 119.032 -0.105 18096 8058 1 11 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.369 0.141 18096 8059 1 11 . 1 1 118 118 VAL C C 118 177.452 177.452 177.787 -0.335 18096 8060 1 11 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.673 0.767 18096 8061 1 11 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.140 0.322 18096 8062 1 11 . 1 1 118 118 VAL H H 118 8.509 8.509 7.562 0.947 18096 8063 1 11 . 1 1 119 119 PHE N N 119 118.638 118.638 120.083 -1.445 18096 8064 1 11 . 1 1 119 119 PHE HA H 119 4.040 4.040 3.897 0.143 18096 8065 1 11 . 1 1 119 119 PHE C C 119 177.403 177.403 177.280 0.123 18096 8066 1 11 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.757 0.846 18096 8067 1 11 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.897 0.248 18096 8068 1 11 . 1 1 119 119 PHE H H 119 8.477 8.477 8.023 0.454 18096 8069 1 11 . 1 1 120 120 VAL N N 120 118.660 118.660 118.561 0.099 18096 8070 1 11 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.503 -0.036 18096 8071 1 11 . 1 1 120 120 VAL C C 120 177.851 177.851 177.434 0.417 18096 8072 1 11 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.638 1.798 18096 8073 1 11 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.551 0.108 18096 8074 1 11 . 1 1 120 120 VAL H H 120 8.705 8.705 7.418 1.287 18096 8075 1 11 . 1 1 121 121 CYS N N 121 117.055 117.055 118.712 -1.657 18096 8076 1 11 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.857 0.045 18096 8077 1 11 . 1 1 121 121 CYS C C 121 177.629 177.629 175.913 1.716 18096 8078 1 11 . 1 1 121 121 CYS CA C 121 64.339 64.339 64.508 -0.169 18096 8079 1 11 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.386 -0.597 18096 8080 1 11 . 1 1 121 121 CYS H H 121 7.981 7.981 8.158 -0.177 18096 8081 1 11 . 1 1 122 122 VAL N N 122 120.422 120.422 121.244 -0.822 18096 8082 1 11 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.671 -0.192 18096 8083 1 11 . 1 1 122 122 VAL C C 122 176.923 176.923 177.637 -0.714 18096 8084 1 11 . 1 1 122 122 VAL CA C 122 67.261 67.261 65.424 1.837 18096 8085 1 11 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.629 0.497 18096 8086 1 11 . 1 1 122 122 VAL H H 122 8.487 8.487 7.933 0.554 18096 8087 1 11 . 1 1 123 123 PHE N N 123 117.927 117.927 120.384 -2.457 18096 8088 1 11 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.128 -0.094 18096 8089 1 11 . 1 1 123 123 PHE C C 123 178.151 178.151 177.041 1.110 18096 8090 1 11 . 1 1 123 123 PHE CA C 123 62.094 62.094 60.901 1.193 18096 8091 1 11 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.682 -0.045 18096 8092 1 11 . 1 1 123 123 PHE H H 123 8.630 8.630 7.923 0.707 18096 8093 1 11 . 1 1 124 124 GLY N N 124 106.539 106.539 105.703 0.836 18096 8094 1 11 . 1 1 124 124 GLY C C 124 174.290 174.290 175.424 -1.134 18096 8095 1 11 . 1 1 124 124 GLY CA C 124 47.551 47.551 46.753 0.798 18096 8096 1 11 . 1 1 124 124 GLY H H 124 8.689 8.689 7.590 1.099 18096 8097 1 11 . 1 1 125 125 THR N N 125 117.059 117.059 115.663 1.396 18096 8098 1 11 . 1 1 125 125 THR HA H 125 3.649 3.649 3.868 -0.219 18096 8099 1 11 . 1 1 125 125 THR C C 125 176.231 176.231 176.267 -0.036 18096 8100 1 11 . 1 1 125 125 THR CA C 125 67.989 67.989 65.896 2.093 18096 8101 1 11 . 1 1 125 125 THR H H 125 7.553 7.553 8.167 -0.614 18096 8102 1 11 . 1 1 126 126 ILE N N 126 119.538 119.538 121.072 -1.534 18096 8103 1 11 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.734 -0.086 18096 8104 1 11 . 1 1 126 126 ILE C C 126 177.976 177.976 178.610 -0.634 18096 8105 1 11 . 1 1 126 126 ILE CA C 126 65.715 65.715 62.934 2.780 18096 8106 1 11 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.251 1.579 18096 8107 1 11 . 1 1 126 126 ILE H H 126 8.003 8.003 7.646 0.357 18096 8108 1 11 . 1 1 127 127 GLY N N 127 105.404 105.404 109.248 -3.844 18096 8109 1 11 . 1 1 127 127 GLY C C 127 174.597 174.597 174.903 -0.306 18096 8110 1 11 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.947 0.622 18096 8111 1 11 . 1 1 127 127 GLY H H 127 8.438 8.438 7.562 0.876 18096 8112 1 11 . 1 1 128 128 MET N N 128 117.893 117.893 117.652 0.241 18096 8113 1 11 . 1 1 128 128 MET HA H 128 4.153 4.153 4.378 -0.225 18096 8114 1 11 . 1 1 128 128 MET C C 128 177.815 177.815 177.570 0.245 18096 8115 1 11 . 1 1 128 128 MET CA C 128 58.198 58.198 57.642 0.556 18096 8116 1 11 . 1 1 128 128 MET CB C 128 32.113 32.113 33.032 -0.919 18096 8117 1 11 . 1 1 128 128 MET H H 128 7.821 7.821 7.340 0.481 18096 8118 1 11 . 1 1 129 129 PHE N N 129 116.018 116.018 120.369 -4.351 18096 8119 1 11 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.270 -0.136 18096 8120 1 11 . 1 1 129 129 PHE C C 129 175.863 175.863 177.041 -1.178 18096 8121 1 11 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.562 -0.747 18096 8122 1 11 . 1 1 129 129 PHE CB C 129 39.090 39.090 40.039 -0.949 18096 8123 1 11 . 1 1 129 129 PHE H H 129 7.797 7.797 8.335 -0.538 18096 8124 1 11 . 1 1 130 130 LEU N N 130 115.806 115.806 118.927 -3.121 18096 8125 1 11 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.282 0.056 18096 8126 1 11 . 1 1 130 130 LEU C C 130 177.219 177.219 177.323 -0.104 18096 8127 1 11 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.387 1.080 18096 8128 1 11 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.189 0.235 18096 8129 1 11 . 1 1 130 130 LEU H H 130 7.745 7.745 7.928 -0.183 18096 8130 1 11 . 1 1 131 131 GLN N N 131 118.630 118.630 119.603 -0.973 18096 8131 1 11 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.081 0.023 18096 8132 1 11 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.036 2.283 18096 8133 1 11 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.407 -0.586 18096 8134 1 11 . 1 1 131 131 GLN H H 131 7.808 7.808 8.077 -0.269 18096 8135 1 11 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.421 -0.048 18096 8136 1 11 . 1 1 132 132 PRO C C 132 177.739 177.739 177.039 0.700 18096 8137 1 11 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.459 2.924 18096 8138 1 11 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.293 -0.767 18096 8139 1 11 . 1 1 133 133 LEU N N 133 115.632 115.632 117.485 -1.853 18096 8140 1 11 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.067 -0.003 18096 8141 1 11 . 1 1 133 133 LEU C C 133 176.918 176.918 176.773 0.145 18096 8142 1 11 . 1 1 133 133 LEU CA C 133 56.401 56.401 57.103 -0.702 18096 8143 1 11 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.071 -0.082 18096 8144 1 11 . 1 1 133 133 LEU H H 133 7.689 7.689 8.285 -0.596 18096 8145 1 11 . 1 1 134 134 PHE N N 134 114.807 114.807 116.368 -1.561 18096 8146 1 11 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.522 0.007 18096 8147 1 11 . 1 1 134 134 PHE C C 134 175.245 175.245 175.501 -0.256 18096 8148 1 11 . 1 1 134 134 PHE CA C 134 57.738 57.738 58.732 -0.994 18096 8149 1 11 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.200 0.409 18096 8150 1 11 . 1 1 134 134 PHE H H 134 7.679 7.679 7.624 0.055 18096 8151 1 11 . 1 1 135 135 GLN N N 135 118.318 118.318 117.824 0.494 18096 8152 1 11 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.417 -0.102 18096 8153 1 11 . 1 1 135 135 GLN C C 135 175.361 175.361 174.877 0.484 18096 8154 1 11 . 1 1 135 135 GLN CA C 135 56.107 56.107 56.184 -0.076 18096 8155 1 11 . 1 1 135 135 GLN CB C 135 29.866 29.866 30.172 -0.306 18096 8156 1 11 . 1 1 135 135 GLN H H 135 7.651 7.651 8.082 -0.431 18096 8157 1 11 . 1 1 136 136 GLU N N 136 120.684 120.684 119.479 1.205 18096 8158 1 11 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.104 0.207 18096 8159 1 11 . 1 1 136 136 GLU C C 136 175.153 175.153 175.786 -0.633 18096 8160 1 11 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.964 -0.489 18096 8161 1 11 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.123 1.109 18096 8162 1 11 . 1 1 136 136 GLU H H 136 8.109 8.109 8.585 -0.476 18096 8163 1 12 . 1 1 3 3 ALA N N 3 124.656 124.656 124.579 0.077 18096 8164 1 12 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.612 -0.406 18096 8165 1 12 . 1 1 3 3 ALA C C 3 178.133 178.133 176.941 1.192 18096 8166 1 12 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.284 1.401 18096 8167 1 12 . 1 1 3 3 ALA CB C 3 19.083 19.083 18.978 0.105 18096 8168 1 12 . 1 1 3 3 ALA H H 3 8.402 8.402 8.095 0.307 18096 8169 1 12 . 1 1 4 4 GLU N N 4 117.439 117.439 121.618 -4.179 18096 8170 1 12 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.523 -0.394 18096 8171 1 12 . 1 1 4 4 GLU C C 4 176.534 176.534 176.159 0.375 18096 8172 1 12 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.385 1.039 18096 8173 1 12 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.557 -0.673 18096 8174 1 12 . 1 1 4 4 GLU H H 4 8.219 8.219 8.633 -0.414 18096 8175 1 12 . 1 1 5 5 GLU N N 5 118.815 118.815 120.376 -1.561 18096 8176 1 12 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.573 -0.362 18096 8177 1 12 . 1 1 5 5 GLU C C 5 176.604 176.604 176.500 0.104 18096 8178 1 12 . 1 1 5 5 GLU CA C 5 56.951 56.951 55.993 0.958 18096 8179 1 12 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.732 0.230 18096 8180 1 12 . 1 1 5 5 GLU H H 5 7.992 7.992 8.460 -0.468 18096 8181 1 12 . 1 1 6 6 GLU N N 6 121.446 121.446 122.145 -0.699 18096 8182 1 12 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.186 -0.002 18096 8183 1 12 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.558 -3.137 18096 8184 1 12 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.340 0.643 18096 8185 1 12 . 1 1 6 6 GLU H H 6 8.148 8.148 8.551 -0.403 18096 8186 1 12 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.355 -0.092 18096 8187 1 12 . 1 1 7 7 PRO C C 7 178.717 178.717 178.164 0.553 18096 8188 1 12 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.577 -0.048 18096 8189 1 12 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.421 -0.098 18096 8190 1 12 . 1 1 8 8 LEU N N 8 119.642 119.642 118.036 1.606 18096 8191 1 12 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.259 -0.307 18096 8192 1 12 . 1 1 8 8 LEU C C 8 177.905 177.905 178.426 -0.521 18096 8193 1 12 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.772 1.159 18096 8194 1 12 . 1 1 8 8 LEU CB C 8 41.773 41.773 40.705 1.068 18096 8195 1 12 . 1 1 8 8 LEU H H 8 8.222 8.222 8.115 0.107 18096 8196 1 12 . 1 1 9 9 PHE N N 9 118.625 118.625 119.697 -1.072 18096 8197 1 12 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.278 -0.106 18096 8198 1 12 . 1 1 9 9 PHE C C 9 177.620 177.620 176.869 0.751 18096 8199 1 12 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.391 0.681 18096 8200 1 12 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.345 -0.507 18096 8201 1 12 . 1 1 9 9 PHE H H 9 8.071 8.071 7.849 0.222 18096 8202 1 12 . 1 1 10 10 TYR N N 10 117.829 117.829 119.570 -1.741 18096 8203 1 12 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.087 0.103 18096 8204 1 12 . 1 1 10 10 TYR C C 10 177.743 177.743 177.590 0.153 18096 8205 1 12 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.997 -0.788 18096 8206 1 12 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.486 0.230 18096 8207 1 12 . 1 1 10 10 TYR H H 10 8.204 8.204 7.529 0.675 18096 8208 1 12 . 1 1 11 11 THR N N 11 115.545 115.545 114.059 1.486 18096 8209 1 12 . 1 1 11 11 THR HA H 11 3.875 3.875 3.923 -0.048 18096 8210 1 12 . 1 1 11 11 THR C C 11 175.937 175.937 176.516 -0.579 18096 8211 1 12 . 1 1 11 11 THR CA C 11 67.187 67.187 66.242 0.945 18096 8212 1 12 . 1 1 11 11 THR CB C 11 68.579 68.579 68.552 0.027 18096 8213 1 12 . 1 1 11 11 THR H H 11 7.934 7.934 7.692 0.242 18096 8214 1 12 . 1 1 12 12 ILE N N 12 120.096 120.096 119.801 0.295 18096 8215 1 12 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.727 -0.045 18096 8216 1 12 . 1 1 12 12 ILE C C 12 175.863 175.863 177.288 -1.425 18096 8217 1 12 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.312 -0.491 18096 8218 1 12 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.547 0.409 18096 8219 1 12 . 1 1 12 12 ILE H H 12 8.172 8.172 7.422 0.750 18096 8220 1 12 . 1 1 13 13 ASN N N 13 114.444 114.444 117.173 -2.729 18096 8221 1 12 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.334 0.059 18096 8222 1 12 . 1 1 13 13 ASN C C 13 174.880 174.880 176.038 -1.158 18096 8223 1 12 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.168 0.089 18096 8224 1 12 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.202 1.344 18096 8225 1 12 . 1 1 13 13 ASN H H 13 7.731 7.731 7.410 0.321 18096 8226 1 12 . 1 1 14 14 LEU N N 14 115.306 115.306 119.262 -3.956 18096 8227 1 12 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.372 -0.026 18096 8228 1 12 . 1 1 14 14 LEU C C 14 177.427 177.427 177.906 -0.479 18096 8229 1 12 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.907 -0.537 18096 8230 1 12 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.813 -1.047 18096 8231 1 12 . 1 1 14 14 LEU H H 14 7.381 7.381 7.368 0.013 18096 8232 1 12 . 1 1 15 15 ILE N N 15 117.935 117.935 119.479 -1.544 18096 8233 1 12 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.905 -0.307 18096 8234 1 12 . 1 1 15 15 ILE CA C 15 65.452 65.452 61.375 4.077 18096 8235 1 12 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.512 1.169 18096 8236 1 12 . 1 1 15 15 ILE H H 15 8.135 8.135 7.328 0.807 18096 8237 1 12 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.326 -0.280 18096 8238 1 12 . 1 1 17 17 PRO C C 17 177.518 177.518 179.207 -1.689 18096 8239 1 12 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.717 0.928 18096 8240 1 12 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.821 0.145 18096 8241 1 12 . 1 1 18 18 CYS N N 18 113.411 113.411 118.290 -4.879 18096 8242 1 12 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.233 -0.282 18096 8243 1 12 . 1 1 18 18 CYS C C 18 177.617 177.617 177.402 0.215 18096 8244 1 12 . 1 1 18 18 CYS CA C 18 64.488 64.488 64.070 0.418 18096 8245 1 12 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.142 -0.374 18096 8246 1 12 . 1 1 18 18 CYS H H 18 7.338 7.338 7.696 -0.358 18096 8247 1 12 . 1 1 19 19 VAL N N 19 121.720 121.720 119.147 2.573 18096 8248 1 12 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.737 -0.216 18096 8249 1 12 . 1 1 19 19 VAL C C 19 178.069 178.069 178.221 -0.152 18096 8250 1 12 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.685 0.380 18096 8251 1 12 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.195 0.557 18096 8252 1 12 . 1 1 19 19 VAL H H 19 8.587 8.587 8.104 0.483 18096 8253 1 12 . 1 1 20 20 LEU N N 20 121.731 121.731 121.004 0.727 18096 8254 1 12 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.916 0.105 18096 8255 1 12 . 1 1 20 20 LEU C C 20 177.989 177.989 179.610 -1.621 18096 8256 1 12 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.401 0.248 18096 8257 1 12 . 1 1 20 20 LEU CB C 20 41.934 41.934 40.867 1.067 18096 8258 1 12 . 1 1 20 20 LEU H H 20 8.344 8.344 7.669 0.675 18096 8259 1 12 . 1 1 21 21 ILE N N 21 117.403 117.403 119.034 -1.631 18096 8260 1 12 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.538 0.131 18096 8261 1 12 . 1 1 21 21 ILE C C 21 176.947 176.947 178.150 -1.203 18096 8262 1 12 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.939 -0.583 18096 8263 1 12 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.764 0.154 18096 8264 1 12 . 1 1 21 21 ILE H H 21 8.371 8.371 8.775 -0.404 18096 8265 1 12 . 1 1 22 22 THR N N 22 115.544 115.544 115.141 0.403 18096 8266 1 12 . 1 1 22 22 THR HA H 22 3.681 3.681 3.756 -0.075 18096 8267 1 12 . 1 1 22 22 THR C C 22 176.073 176.073 176.594 -0.521 18096 8268 1 12 . 1 1 22 22 THR CA C 22 68.152 68.152 66.097 2.055 18096 8269 1 12 . 1 1 22 22 THR CB C 22 68.428 68.428 68.148 0.280 18096 8270 1 12 . 1 1 22 22 THR H H 22 7.829 7.829 7.565 0.264 18096 8271 1 12 . 1 1 23 23 SER N N 23 116.192 116.192 118.017 -1.825 18096 8272 1 12 . 1 1 23 23 SER HA H 23 4.023 4.023 4.008 0.015 18096 8273 1 12 . 1 1 23 23 SER C C 23 175.279 175.279 176.794 -1.515 18096 8274 1 12 . 1 1 23 23 SER CA C 23 63.884 63.884 61.515 2.369 18096 8275 1 12 . 1 1 23 23 SER CB C 23 62.971 62.971 62.840 0.131 18096 8276 1 12 . 1 1 23 23 SER H H 23 8.069 8.069 8.446 -0.377 18096 8277 1 12 . 1 1 24 24 LEU N N 24 120.855 120.855 121.159 -0.304 18096 8278 1 12 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.050 -0.069 18096 8279 1 12 . 1 1 24 24 LEU C C 24 177.542 177.542 178.497 -0.955 18096 8280 1 12 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.721 0.315 18096 8281 1 12 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.696 0.245 18096 8282 1 12 . 1 1 24 24 LEU H H 24 7.858 7.858 8.362 -0.504 18096 8283 1 12 . 1 1 25 25 ALA N N 25 119.507 119.507 121.374 -1.867 18096 8284 1 12 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.051 -0.111 18096 8285 1 12 . 1 1 25 25 ALA C C 25 177.915 177.915 179.518 -1.603 18096 8286 1 12 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.658 0.954 18096 8287 1 12 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.159 0.092 18096 8288 1 12 . 1 1 25 25 ALA H H 25 8.141 8.141 7.493 0.648 18096 8289 1 12 . 1 1 26 26 ILE N N 26 115.689 115.689 119.562 -3.873 18096 8290 1 12 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.689 0.109 18096 8291 1 12 . 1 1 26 26 ILE C C 26 177.729 177.729 177.972 -0.243 18096 8292 1 12 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.194 0.146 18096 8293 1 12 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.965 -0.135 18096 8294 1 12 . 1 1 26 26 ILE H H 26 8.012 8.012 8.072 -0.060 18096 8295 1 12 . 1 1 27 27 LEU N N 27 118.567 118.567 120.277 -1.710 18096 8296 1 12 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.965 0.041 18096 8297 1 12 . 1 1 27 27 LEU C C 27 178.364 178.364 178.961 -0.597 18096 8298 1 12 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.714 0.023 18096 8299 1 12 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.157 0.680 18096 8300 1 12 . 1 1 27 27 LEU H H 27 8.045 8.045 8.279 -0.234 18096 8301 1 12 . 1 1 28 28 VAL N N 28 113.720 113.720 118.892 -5.172 18096 8302 1 12 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.638 -0.063 18096 8303 1 12 . 1 1 28 28 VAL C C 28 177.809 177.809 178.062 -0.253 18096 8304 1 12 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.510 -0.497 18096 8305 1 12 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.693 0.357 18096 8306 1 12 . 1 1 28 28 VAL H H 28 8.008 8.008 7.464 0.544 18096 8307 1 12 . 1 1 29 29 PHE N N 29 115.458 115.458 115.972 -0.514 18096 8308 1 12 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.294 -0.085 18096 8309 1 12 . 1 1 29 29 PHE C C 29 176.366 176.366 177.298 -0.932 18096 8310 1 12 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.159 -0.301 18096 8311 1 12 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.100 0.497 18096 8312 1 12 . 1 1 29 29 PHE H H 29 7.915 7.915 7.698 0.217 18096 8313 1 12 . 1 1 30 30 TYR N N 30 115.649 115.649 117.802 -2.153 18096 8314 1 12 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.520 -0.279 18096 8315 1 12 . 1 1 30 30 TYR C C 30 175.388 175.388 176.018 -0.630 18096 8316 1 12 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.634 -1.248 18096 8317 1 12 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.908 -0.268 18096 8318 1 12 . 1 1 30 30 TYR H H 30 8.002 8.002 7.691 0.311 18096 8319 1 12 . 1 1 31 31 LEU N N 31 121.144 121.144 120.727 0.417 18096 8320 1 12 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.803 -0.355 18096 8321 1 12 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.605 1.544 18096 8322 1 12 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.128 -0.792 18096 8323 1 12 . 1 1 31 31 LEU H H 31 7.514 7.514 7.948 -0.434 18096 8324 1 12 . 1 1 32 32 PRO C C 32 176.530 176.530 176.421 0.109 18096 8325 1 12 . 1 1 33 33 SER N N 33 115.448 115.448 120.906 -5.458 18096 8326 1 12 . 1 1 33 33 SER HA H 33 4.317 4.317 4.587 -0.270 18096 8327 1 12 . 1 1 33 33 SER C C 33 174.174 174.174 174.703 -0.529 18096 8328 1 12 . 1 1 33 33 SER CA C 33 59.954 59.954 57.251 2.703 18096 8329 1 12 . 1 1 33 33 SER H H 33 8.370 8.370 8.234 0.136 18096 8330 1 12 . 1 1 34 34 ASP N N 34 119.694 119.694 120.478 -0.784 18096 8331 1 12 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.863 -0.278 18096 8332 1 12 . 1 1 34 34 ASP C C 34 175.971 175.971 176.431 -0.460 18096 8333 1 12 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.041 0.401 18096 8334 1 12 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.836 0.404 18096 8335 1 12 . 1 1 34 34 ASP H H 34 8.209 8.209 8.701 -0.492 18096 8336 1 12 . 1 1 35 35 CYS N N 35 114.872 114.872 118.123 -3.251 18096 8337 1 12 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.558 -0.355 18096 8338 1 12 . 1 1 35 35 CYS C C 35 175.147 175.147 174.685 0.462 18096 8339 1 12 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.106 2.015 18096 8340 1 12 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.858 -0.973 18096 8341 1 12 . 1 1 35 35 CYS H H 35 7.750 7.750 7.994 -0.244 18096 8342 1 12 . 1 1 36 36 GLY N N 36 110.059 110.059 110.159 -0.100 18096 8343 1 12 . 1 1 36 36 GLY C C 36 174.391 174.391 174.905 -0.514 18096 8344 1 12 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.836 1.451 18096 8345 1 12 . 1 1 36 36 GLY H H 36 8.357 8.357 8.006 0.351 18096 8346 1 12 . 1 1 37 37 GLU N N 37 121.785 121.785 120.051 1.734 18096 8347 1 12 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.949 0.117 18096 8348 1 12 . 1 1 37 37 GLU C C 37 176.536 176.536 177.935 -1.399 18096 8349 1 12 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.762 -0.236 18096 8350 1 12 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.523 0.207 18096 8351 1 12 . 1 1 37 37 GLU H H 37 8.359 8.359 8.666 -0.307 18096 8352 1 12 . 1 1 38 38 LYS N N 38 123.927 123.927 118.748 5.179 18096 8353 1 12 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.907 0.216 18096 8354 1 12 . 1 1 38 38 LYS C C 38 177.544 177.544 178.645 -1.101 18096 8355 1 12 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.199 -0.630 18096 8356 1 12 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.810 -0.133 18096 8357 1 12 . 1 1 38 38 LYS H H 38 8.226 8.226 8.347 -0.121 18096 8358 1 12 . 1 1 39 39 MET N N 39 117.932 117.932 118.879 -0.947 18096 8359 1 12 . 1 1 39 39 MET HA H 39 4.135 4.135 4.246 -0.111 18096 8360 1 12 . 1 1 39 39 MET C C 39 178.602 178.602 177.892 0.710 18096 8361 1 12 . 1 1 39 39 MET CA C 39 58.851 58.851 58.833 0.018 18096 8362 1 12 . 1 1 39 39 MET CB C 39 32.220 32.220 32.575 -0.355 18096 8363 1 12 . 1 1 39 39 MET H H 39 8.262 8.262 7.631 0.631 18096 8364 1 12 . 1 1 40 40 THR N N 40 117.201 117.201 116.941 0.260 18096 8365 1 12 . 1 1 40 40 THR HA H 40 3.673 3.673 3.898 -0.225 18096 8366 1 12 . 1 1 40 40 THR C C 40 175.927 175.927 176.731 -0.804 18096 8367 1 12 . 1 1 40 40 THR CA C 40 67.352 67.352 66.871 0.481 18096 8368 1 12 . 1 1 40 40 THR H H 40 8.341 8.341 7.618 0.723 18096 8369 1 12 . 1 1 41 41 LEU N N 41 120.040 120.040 121.787 -1.747 18096 8370 1 12 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.128 -0.076 18096 8371 1 12 . 1 1 41 41 LEU C C 41 177.809 177.809 178.272 -0.463 18096 8372 1 12 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.641 0.746 18096 8373 1 12 . 1 1 41 41 LEU H H 41 8.181 8.181 8.168 0.013 18096 8374 1 12 . 1 1 42 42 CYS N N 42 117.556 117.556 118.848 -1.292 18096 8375 1 12 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.048 -0.096 18096 8376 1 12 . 1 1 42 42 CYS C C 42 176.460 176.460 176.959 -0.499 18096 8377 1 12 . 1 1 42 42 CYS CA C 42 64.496 64.496 62.925 1.571 18096 8378 1 12 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.997 -0.164 18096 8379 1 12 . 1 1 42 42 CYS H H 42 7.949 7.949 7.569 0.380 18096 8380 1 12 . 1 1 43 43 ILE N N 43 117.336 117.336 119.158 -1.822 18096 8381 1 12 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.757 -0.128 18096 8382 1 12 . 1 1 43 43 ILE C C 43 177.256 177.256 178.270 -1.014 18096 8383 1 12 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.361 0.714 18096 8384 1 12 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.028 0.916 18096 8385 1 12 . 1 1 43 43 ILE H H 43 8.347 8.347 7.619 0.728 18096 8386 1 12 . 1 1 44 44 SER N N 44 116.243 116.243 116.802 -0.559 18096 8387 1 12 . 1 1 44 44 SER HA H 44 4.083 4.083 4.154 -0.071 18096 8388 1 12 . 1 1 44 44 SER C C 44 176.305 176.305 176.923 -0.618 18096 8389 1 12 . 1 1 44 44 SER CA C 44 63.348 63.348 62.430 0.918 18096 8390 1 12 . 1 1 44 44 SER CB C 44 62.954 62.954 63.123 -0.169 18096 8391 1 12 . 1 1 44 44 SER H H 44 8.064 8.064 7.516 0.548 18096 8392 1 12 . 1 1 45 45 VAL N N 45 120.333 120.333 121.590 -1.257 18096 8393 1 12 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.714 -0.198 18096 8394 1 12 . 1 1 45 45 VAL C C 45 177.247 177.247 177.644 -0.397 18096 8395 1 12 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.375 0.563 18096 8396 1 12 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.569 0.191 18096 8397 1 12 . 1 1 45 45 VAL H H 45 8.036 8.036 8.183 -0.147 18096 8398 1 12 . 1 1 46 46 LEU N N 46 119.430 119.430 119.800 -0.370 18096 8399 1 12 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.020 -0.072 18096 8400 1 12 . 1 1 46 46 LEU C C 46 180.032 180.032 178.513 1.519 18096 8401 1 12 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.966 0.560 18096 8402 1 12 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.888 0.097 18096 8403 1 12 . 1 1 46 46 LEU H H 46 7.959 7.959 7.453 0.506 18096 8404 1 12 . 1 1 47 47 LEU N N 47 121.110 121.110 119.843 1.267 18096 8405 1 12 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.984 0.014 18096 8406 1 12 . 1 1 47 47 LEU C C 47 177.985 177.985 178.549 -0.564 18096 8407 1 12 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.729 0.710 18096 8408 1 12 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.795 0.251 18096 8409 1 12 . 1 1 47 47 LEU H H 47 8.695 8.695 7.446 1.249 18096 8410 1 12 . 1 1 48 48 ALA N N 48 121.251 121.251 121.877 -0.626 18096 8411 1 12 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.863 -0.018 18096 8412 1 12 . 1 1 48 48 ALA C C 48 178.834 178.834 179.612 -0.778 18096 8413 1 12 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.130 0.579 18096 8414 1 12 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.031 0.102 18096 8415 1 12 . 1 1 48 48 ALA H H 48 8.272 8.272 7.453 0.819 18096 8416 1 12 . 1 1 49 49 LEU N N 49 116.290 116.290 118.495 -2.205 18096 8417 1 12 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.274 -0.277 18096 8418 1 12 . 1 1 49 49 LEU C C 49 178.068 178.068 179.484 -1.416 18096 8419 1 12 . 1 1 49 49 LEU CA C 49 58.308 58.308 58.049 0.259 18096 8420 1 12 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.130 0.816 18096 8421 1 12 . 1 1 49 49 LEU H H 49 8.526 8.526 7.819 0.707 18096 8422 1 12 . 1 1 50 50 THR N N 50 115.495 115.495 115.082 0.413 18096 8423 1 12 . 1 1 50 50 THR HA H 50 3.692 3.692 3.990 -0.298 18096 8424 1 12 . 1 1 50 50 THR C C 50 176.061 176.061 176.803 -0.742 18096 8425 1 12 . 1 1 50 50 THR CA C 50 68.786 68.786 66.028 2.758 18096 8426 1 12 . 1 1 50 50 THR H H 50 7.996 7.996 7.606 0.390 18096 8427 1 12 . 1 1 51 51 VAL N N 51 119.977 119.977 121.986 -2.009 18096 8428 1 12 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.592 -0.096 18096 8429 1 12 . 1 1 51 51 VAL C C 51 177.063 177.063 177.720 -0.657 18096 8430 1 12 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.078 1.285 18096 8431 1 12 . 1 1 51 51 VAL CB C 51 31.618 31.618 30.907 0.711 18096 8432 1 12 . 1 1 51 51 VAL H H 51 8.145 8.145 7.467 0.678 18096 8433 1 12 . 1 1 52 52 PHE N N 52 118.836 118.836 118.303 0.533 18096 8434 1 12 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.127 -0.025 18096 8435 1 12 . 1 1 52 52 PHE C C 52 176.721 176.721 178.108 -1.387 18096 8436 1 12 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.123 -0.484 18096 8437 1 12 . 1 1 52 52 PHE CB C 52 39.329 39.329 37.890 1.439 18096 8438 1 12 . 1 1 52 52 PHE H H 52 8.354 8.354 7.604 0.750 18096 8439 1 12 . 1 1 53 53 LEU N N 53 117.271 117.271 120.033 -2.762 18096 8440 1 12 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.057 -0.185 18096 8441 1 12 . 1 1 53 53 LEU C C 53 179.184 179.184 179.104 0.080 18096 8442 1 12 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.242 -0.385 18096 8443 1 12 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.277 0.718 18096 8444 1 12 . 1 1 53 53 LEU H H 53 8.438 8.438 7.437 1.001 18096 8445 1 12 . 1 1 54 54 LEU N N 54 119.310 119.310 118.520 0.790 18096 8446 1 12 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.909 0.098 18096 8447 1 12 . 1 1 54 54 LEU C C 54 179.224 179.224 179.474 -0.250 18096 8448 1 12 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.830 0.258 18096 8449 1 12 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.543 0.486 18096 8450 1 12 . 1 1 54 54 LEU H H 54 8.147 8.147 7.474 0.673 18096 8451 1 12 . 1 1 55 55 LEU N N 55 118.400 118.400 120.805 -2.405 18096 8452 1 12 . 1 1 55 55 LEU HA H 55 4.100 4.100 4.073 0.027 18096 8453 1 12 . 1 1 55 55 LEU C C 55 178.974 178.974 179.439 -0.465 18096 8454 1 12 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.840 -0.979 18096 8455 1 12 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.244 -0.272 18096 8456 1 12 . 1 1 55 55 LEU H H 55 8.096 8.096 7.701 0.395 18096 8457 1 12 . 1 1 56 56 ILE N N 56 115.919 115.919 116.508 -0.589 18096 8458 1 12 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.150 -0.294 18096 8459 1 12 . 1 1 56 56 ILE C C 56 176.763 176.763 177.607 -0.844 18096 8460 1 12 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.497 0.014 18096 8461 1 12 . 1 1 56 56 ILE CB C 56 37.689 37.689 38.087 -0.398 18096 8462 1 12 . 1 1 56 56 ILE H H 56 8.028 8.028 7.734 0.294 18096 8463 1 12 . 1 1 57 57 SER N N 57 114.862 114.862 114.472 0.390 18096 8464 1 12 . 1 1 57 57 SER HA H 57 4.178 4.178 4.216 -0.038 18096 8465 1 12 . 1 1 57 57 SER C C 57 175.258 175.258 175.869 -0.611 18096 8466 1 12 . 1 1 57 57 SER CA C 57 60.946 60.946 61.203 -0.257 18096 8467 1 12 . 1 1 57 57 SER CB C 57 63.558 63.558 63.410 0.148 18096 8468 1 12 . 1 1 57 57 SER H H 57 7.689 7.689 8.170 -0.481 18096 8469 1 12 . 1 1 58 58 LYS N N 58 118.080 118.080 119.707 -1.627 18096 8470 1 12 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.400 -0.113 18096 8471 1 12 . 1 1 58 58 LYS C C 58 176.668 176.668 176.698 -0.030 18096 8472 1 12 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.483 -1.376 18096 8473 1 12 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.989 -1.925 18096 8474 1 12 . 1 1 58 58 LYS H H 58 7.595 7.595 7.583 0.012 18096 8475 1 12 . 1 1 59 59 ILE N N 59 116.926 116.926 120.748 -3.822 18096 8476 1 12 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.316 -0.282 18096 8477 1 12 . 1 1 59 59 ILE C C 59 175.226 175.226 175.089 0.137 18096 8478 1 12 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.491 3.893 18096 8479 1 12 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.275 -2.202 18096 8480 1 12 . 1 1 59 59 ILE H H 59 7.706 7.706 7.658 0.048 18096 8481 1 12 . 1 1 60 60 VAL N N 60 119.235 119.235 124.090 -4.855 18096 8482 1 12 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.084 0.242 18096 8483 1 12 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.289 -0.542 18096 8484 1 12 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.421 1.845 18096 8485 1 12 . 1 1 60 60 VAL H H 60 7.586 7.586 8.266 -0.680 18096 8486 1 12 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.906 -0.262 18096 8487 1 12 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.563 -0.042 18096 8488 1 12 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.085 0.051 18096 8489 1 12 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.409 0.082 18096 8490 1 12 . 1 1 62 62 PRO C C 62 176.912 176.912 177.098 -0.186 18096 8491 1 12 . 1 1 62 62 PRO CA C 62 63.243 63.243 65.027 -1.784 18096 8492 1 12 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.492 0.386 18096 8493 1 12 . 1 1 63 63 THR N N 63 111.607 111.607 108.008 3.599 18096 8494 1 12 . 1 1 63 63 THR HA H 63 4.447 4.447 4.241 0.206 18096 8495 1 12 . 1 1 63 63 THR C C 63 174.725 174.725 174.768 -0.043 18096 8496 1 12 . 1 1 63 63 THR CA C 63 61.245 61.245 63.462 -2.217 18096 8497 1 12 . 1 1 63 63 THR CB C 63 69.807 69.807 68.653 1.154 18096 8498 1 12 . 1 1 63 63 THR H H 63 7.915 7.915 7.929 -0.014 18096 8499 1 12 . 1 1 64 64 SER N N 64 116.516 116.516 118.569 -2.053 18096 8500 1 12 . 1 1 64 64 SER HA H 64 4.411 4.411 4.735 -0.324 18096 8501 1 12 . 1 1 64 64 SER C C 64 174.580 174.580 173.830 0.750 18096 8502 1 12 . 1 1 64 64 SER CA C 64 58.608 58.608 58.879 -0.271 18096 8503 1 12 . 1 1 64 64 SER CB C 64 63.742 63.742 63.740 0.002 18096 8504 1 12 . 1 1 64 64 SER H H 64 8.127 8.127 7.433 0.694 18096 8505 1 12 . 1 1 65 65 SER N N 65 116.921 116.921 121.629 -4.708 18096 8506 1 12 . 1 1 65 65 SER HA H 65 4.453 4.453 4.461 -0.008 18096 8507 1 12 . 1 1 65 65 SER C C 65 174.100 174.100 174.615 -0.515 18096 8508 1 12 . 1 1 65 65 SER CA C 65 58.584 58.584 59.663 -1.079 18096 8509 1 12 . 1 1 65 65 SER CB C 65 63.668 63.668 63.723 -0.055 18096 8510 1 12 . 1 1 65 65 SER H H 65 8.169 8.169 8.487 -0.318 18096 8511 1 12 . 1 1 66 66 ASP N N 66 120.478 120.478 118.501 1.977 18096 8512 1 12 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.793 -0.170 18096 8513 1 12 . 1 1 66 66 ASP C C 66 175.730 175.730 175.667 0.063 18096 8514 1 12 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.053 0.192 18096 8515 1 12 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.108 0.087 18096 8516 1 12 . 1 1 66 66 ASP H H 66 8.154 8.154 8.520 -0.366 18096 8517 1 12 . 1 1 67 67 SER N N 67 115.159 115.159 114.658 0.501 18096 8518 1 12 . 1 1 67 67 SER HA H 67 4.528 4.528 4.713 -0.185 18096 8519 1 12 . 1 1 67 67 SER CA C 67 56.493 56.493 56.719 -0.226 18096 8520 1 12 . 1 1 67 67 SER CB C 67 63.604 63.604 64.733 -1.129 18096 8521 1 12 . 1 1 67 67 SER H H 67 7.930 7.930 7.431 0.499 18096 8522 1 12 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.555 -0.160 18096 8523 1 12 . 1 1 68 68 PRO C C 68 176.652 176.652 176.389 0.263 18096 8524 1 12 . 1 1 68 68 PRO CA C 68 63.593 63.593 63.088 0.505 18096 8525 1 12 . 1 1 68 68 PRO CB C 68 31.352 31.352 31.797 -0.445 18096 8526 1 12 . 1 1 69 69 SER N N 69 115.859 115.859 119.346 -3.487 18096 8527 1 12 . 1 1 69 69 SER HA H 69 4.436 4.436 4.625 -0.189 18096 8528 1 12 . 1 1 69 69 SER C C 69 174.611 174.611 175.761 -1.150 18096 8529 1 12 . 1 1 69 69 SER CA C 69 58.264 58.264 59.614 -1.350 18096 8530 1 12 . 1 1 69 69 SER CB C 69 63.919 63.919 65.053 -1.134 18096 8531 1 12 . 1 1 69 69 SER H H 69 8.256 8.256 8.269 -0.013 18096 8532 1 12 . 1 1 70 70 VAL N N 70 117.241 117.241 122.640 -5.399 18096 8533 1 12 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.892 -0.090 18096 8534 1 12 . 1 1 70 70 VAL C C 70 177.772 177.772 177.119 0.653 18096 8535 1 12 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.544 2.100 18096 8536 1 12 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.566 0.330 18096 8537 1 12 . 1 1 70 70 VAL H H 70 8.211 8.211 7.788 0.423 18096 8538 1 12 . 1 1 71 71 GLY N N 71 106.999 106.999 106.698 0.301 18096 8539 1 12 . 1 1 71 71 GLY C C 71 175.551 175.551 175.717 -0.166 18096 8540 1 12 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.392 0.853 18096 8541 1 12 . 1 1 71 71 GLY H H 71 8.566 8.566 8.486 0.080 18096 8542 1 12 . 1 1 72 72 GLU N N 72 121.376 121.376 123.125 -1.749 18096 8543 1 12 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.942 -0.053 18096 8544 1 12 . 1 1 72 72 GLU C C 72 178.495 178.495 178.712 -0.217 18096 8545 1 12 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.494 0.624 18096 8546 1 12 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.164 0.426 18096 8547 1 12 . 1 1 72 72 GLU H H 72 7.919 7.919 7.442 0.477 18096 8548 1 12 . 1 1 73 73 TYR N N 73 117.643 117.643 117.870 -0.227 18096 8549 1 12 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.223 -0.161 18096 8550 1 12 . 1 1 73 73 TYR C C 73 179.921 179.921 178.675 1.246 18096 8551 1 12 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.082 1.048 18096 8552 1 12 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.973 0.944 18096 8553 1 12 . 1 1 73 73 TYR H H 73 8.095 8.095 7.310 0.785 18096 8554 1 12 . 1 1 74 74 LEU N N 74 121.712 121.712 120.405 1.307 18096 8555 1 12 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.946 0.117 18096 8556 1 12 . 1 1 74 74 LEU C C 74 178.385 178.385 178.623 -0.238 18096 8557 1 12 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.730 0.744 18096 8558 1 12 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.552 0.386 18096 8559 1 12 . 1 1 74 74 LEU H H 74 8.615 8.615 7.716 0.899 18096 8560 1 12 . 1 1 75 75 MET N N 75 119.087 119.087 118.788 0.299 18096 8561 1 12 . 1 1 75 75 MET HA H 75 4.056 4.056 4.049 0.007 18096 8562 1 12 . 1 1 75 75 MET C C 75 177.851 177.851 178.561 -0.710 18096 8563 1 12 . 1 1 75 75 MET CA C 75 59.166 59.166 59.958 -0.792 18096 8564 1 12 . 1 1 75 75 MET CB C 75 32.093 32.093 32.384 -0.291 18096 8565 1 12 . 1 1 75 75 MET H H 75 8.362 8.362 8.143 0.219 18096 8566 1 12 . 1 1 76 76 PHE N N 76 117.788 117.788 118.088 -0.300 18096 8567 1 12 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.252 -0.147 18096 8568 1 12 . 1 1 76 76 PHE C C 76 177.305 177.305 177.893 -0.588 18096 8569 1 12 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.135 0.241 18096 8570 1 12 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.527 0.434 18096 8571 1 12 . 1 1 76 76 PHE H H 76 8.471 8.471 7.995 0.476 18096 8572 1 12 . 1 1 77 77 THR N N 77 115.298 115.298 117.176 -1.878 18096 8573 1 12 . 1 1 77 77 THR HA H 77 3.673 3.673 4.032 -0.359 18096 8574 1 12 . 1 1 77 77 THR C C 77 176.057 176.057 176.768 -0.711 18096 8575 1 12 . 1 1 77 77 THR CA C 77 68.423 68.423 67.490 0.933 18096 8576 1 12 . 1 1 77 77 THR CB C 77 68.204 68.204 68.956 -0.752 18096 8577 1 12 . 1 1 77 77 THR H H 77 8.179 8.179 8.298 -0.119 18096 8578 1 12 . 1 1 78 78 MET N N 78 119.204 119.204 120.696 -1.492 18096 8579 1 12 . 1 1 78 78 MET HA H 78 4.092 4.092 4.179 -0.087 18096 8580 1 12 . 1 1 78 78 MET C C 78 179.421 179.421 178.507 0.914 18096 8581 1 12 . 1 1 78 78 MET CA C 78 58.810 58.810 58.861 -0.050 18096 8582 1 12 . 1 1 78 78 MET CB C 78 32.176 32.176 32.138 0.038 18096 8583 1 12 . 1 1 78 78 MET H H 78 8.310 8.310 8.307 0.003 18096 8584 1 12 . 1 1 79 79 VAL N N 79 122.115 122.115 120.496 1.619 18096 8585 1 12 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.693 -0.201 18096 8586 1 12 . 1 1 79 79 VAL C C 79 176.866 176.866 178.020 -1.154 18096 8587 1 12 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.846 0.529 18096 8588 1 12 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.192 0.423 18096 8589 1 12 . 1 1 79 79 VAL H H 79 8.239 8.239 7.985 0.254 18096 8590 1 12 . 1 1 80 80 LEU N N 80 120.240 120.240 119.810 0.430 18096 8591 1 12 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.138 -0.199 18096 8592 1 12 . 1 1 80 80 LEU C C 80 180.078 180.078 179.603 0.475 18096 8593 1 12 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.795 0.802 18096 8594 1 12 . 1 1 80 80 LEU CB C 80 41.941 41.941 40.941 1.000 18096 8595 1 12 . 1 1 80 80 LEU H H 80 8.058 8.058 7.491 0.567 18096 8596 1 12 . 1 1 81 81 VAL N N 81 120.008 120.008 119.206 0.802 18096 8597 1 12 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.782 -0.324 18096 8598 1 12 . 1 1 81 81 VAL C C 81 177.670 177.670 178.323 -0.653 18096 8599 1 12 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.246 0.090 18096 8600 1 12 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.213 0.402 18096 8601 1 12 . 1 1 81 81 VAL H H 81 8.800 8.800 8.504 0.296 18096 8602 1 12 . 1 1 82 82 THR N N 82 116.872 116.872 117.258 -0.386 18096 8603 1 12 . 1 1 82 82 THR HA H 82 3.676 3.676 3.989 -0.313 18096 8604 1 12 . 1 1 82 82 THR C C 82 176.268 176.268 176.302 -0.034 18096 8605 1 12 . 1 1 82 82 THR CA C 82 68.590 68.590 67.057 1.533 18096 8606 1 12 . 1 1 82 82 THR CB C 82 68.468 68.468 68.773 -0.305 18096 8607 1 12 . 1 1 82 82 THR H H 82 8.109 8.109 7.904 0.205 18096 8608 1 12 . 1 1 83 83 PHE N N 83 119.777 119.777 120.598 -0.821 18096 8609 1 12 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.238 -0.157 18096 8610 1 12 . 1 1 83 83 PHE C C 83 178.015 178.015 177.281 0.734 18096 8611 1 12 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.222 0.390 18096 8612 1 12 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.734 -0.048 18096 8613 1 12 . 1 1 83 83 PHE H H 83 8.754 8.754 7.841 0.913 18096 8614 1 12 . 1 1 84 84 SER N N 84 117.769 117.769 116.250 1.519 18096 8615 1 12 . 1 1 84 84 SER HA H 84 4.091 4.091 4.454 -0.363 18096 8616 1 12 . 1 1 84 84 SER C C 84 175.899 175.899 176.583 -0.684 18096 8617 1 12 . 1 1 84 84 SER CA C 84 63.269 63.269 61.519 1.750 18096 8618 1 12 . 1 1 84 84 SER CB C 84 62.962 62.962 63.503 -0.541 18096 8619 1 12 . 1 1 84 84 SER H H 84 8.335 8.335 7.732 0.603 18096 8620 1 12 . 1 1 85 85 ILE N N 85 122.986 122.986 122.213 0.773 18096 8621 1 12 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.885 -0.236 18096 8622 1 12 . 1 1 85 85 ILE C C 85 177.778 177.778 178.061 -0.283 18096 8623 1 12 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.133 1.371 18096 8624 1 12 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.861 1.254 18096 8625 1 12 . 1 1 85 85 ILE H H 85 8.187 8.187 7.728 0.459 18096 8626 1 12 . 1 1 86 86 VAL N N 86 117.289 117.289 119.849 -2.560 18096 8627 1 12 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.664 -0.155 18096 8628 1 12 . 1 1 86 86 VAL C C 86 177.816 177.816 178.052 -0.236 18096 8629 1 12 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.193 -0.146 18096 8630 1 12 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.296 0.301 18096 8631 1 12 . 1 1 86 86 VAL H H 86 8.367 8.367 7.663 0.704 18096 8632 1 12 . 1 1 87 87 THR N N 87 116.788 116.788 115.721 1.067 18096 8633 1 12 . 1 1 87 87 THR HA H 87 3.758 3.758 4.054 -0.296 18096 8634 1 12 . 1 1 87 87 THR C C 87 176.095 176.095 176.594 -0.499 18096 8635 1 12 . 1 1 87 87 THR CA C 87 67.248 67.248 67.014 0.234 18096 8636 1 12 . 1 1 87 87 THR H H 87 8.007 8.007 7.645 0.362 18096 8637 1 12 . 1 1 88 88 SER N N 88 116.157 116.157 118.565 -2.408 18096 8638 1 12 . 1 1 88 88 SER HA H 88 4.018 4.018 4.157 -0.139 18096 8639 1 12 . 1 1 88 88 SER C C 88 174.932 174.932 176.239 -1.307 18096 8640 1 12 . 1 1 88 88 SER CA C 88 62.717 62.717 62.188 0.529 18096 8641 1 12 . 1 1 88 88 SER CB C 88 62.954 62.954 63.290 -0.336 18096 8642 1 12 . 1 1 88 88 SER H H 88 7.662 7.662 8.273 -0.611 18096 8643 1 12 . 1 1 89 89 VAL N N 89 117.956 117.956 121.534 -3.578 18096 8644 1 12 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.808 -0.292 18096 8645 1 12 . 1 1 89 89 VAL CA C 89 67.266 67.266 64.856 2.410 18096 8646 1 12 . 1 1 89 89 VAL H H 89 8.274 8.274 7.763 0.511 18096 8647 1 12 . 1 1 90 90 CYS N N 90 116.319 116.319 118.267 -1.948 18096 8648 1 12 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.163 0.066 18096 8649 1 12 . 1 1 90 90 CYS C C 90 175.174 175.174 176.296 -1.122 18096 8650 1 12 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.317 -0.699 18096 8651 1 12 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.770 0.021 18096 8652 1 12 . 1 1 90 90 CYS H H 90 7.654 7.654 7.829 -0.175 18096 8653 1 12 . 1 1 91 91 VAL N N 91 115.534 115.534 116.787 -1.253 18096 8654 1 12 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.952 -0.326 18096 8655 1 12 . 1 1 91 91 VAL C C 91 176.038 176.038 177.248 -1.210 18096 8656 1 12 . 1 1 91 91 VAL CA C 91 63.608 63.608 64.660 -1.052 18096 8657 1 12 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.788 0.134 18096 8658 1 12 . 1 1 91 91 VAL H H 91 7.760 7.760 7.417 0.343 18096 8659 1 12 . 1 1 92 92 LEU N N 92 119.713 119.713 119.609 0.104 18096 8660 1 12 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.098 0.142 18096 8661 1 12 . 1 1 92 92 LEU C C 92 176.769 176.769 177.931 -1.162 18096 8662 1 12 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.308 -0.718 18096 8663 1 12 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.515 -0.583 18096 8664 1 12 . 1 1 92 92 LEU H H 92 7.732 7.732 7.340 0.392 18096 8665 1 12 . 1 1 93 93 ASN N N 93 117.817 117.817 117.648 0.169 18096 8666 1 12 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.645 0.031 18096 8667 1 12 . 1 1 93 93 ASN C C 93 174.955 174.955 174.550 0.405 18096 8668 1 12 . 1 1 93 93 ASN CA C 93 53.255 53.255 54.485 -1.230 18096 8669 1 12 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.301 0.207 18096 8670 1 12 . 1 1 93 93 ASN H H 93 7.916 7.916 8.023 -0.107 18096 8671 1 12 . 1 1 94 94 VAL N N 94 118.650 118.650 124.110 -5.460 18096 8672 1 12 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.359 -0.335 18096 8673 1 12 . 1 1 94 94 VAL C C 94 175.740 175.740 174.418 1.322 18096 8674 1 12 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.066 1.466 18096 8675 1 12 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.115 -1.483 18096 8676 1 12 . 1 1 94 94 VAL H H 94 7.730 7.730 8.035 -0.305 18096 8677 1 12 . 1 1 95 95 HIS N N 95 121.293 121.293 123.411 -2.118 18096 8678 1 12 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.890 -0.271 18096 8679 1 12 . 1 1 95 95 HIS C C 95 174.146 174.146 174.637 -0.491 18096 8680 1 12 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.101 -0.519 18096 8681 1 12 . 1 1 95 95 HIS CB C 95 29.755 29.755 32.516 -2.761 18096 8682 1 12 . 1 1 95 95 HIS H H 95 8.341 8.341 8.464 -0.123 18096 8683 1 12 . 1 1 96 96 HIS N N 96 122.728 122.728 121.270 1.458 18096 8684 1 12 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.365 0.270 18096 8685 1 12 . 1 1 96 96 HIS CA C 96 55.582 55.582 57.620 -2.038 18096 8686 1 12 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.076 -0.302 18096 8687 1 12 . 1 1 96 96 HIS H H 96 8.333 8.333 8.734 -0.401 18096 8688 1 12 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.473 -0.178 18096 8689 1 12 . 1 1 97 97 ARG C C 97 175.776 175.776 175.348 0.428 18096 8690 1 12 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.814 -0.584 18096 8691 1 12 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.062 -0.032 18096 8692 1 12 . 1 1 98 98 SER N N 98 118.439 118.439 115.384 3.055 18096 8693 1 12 . 1 1 98 98 SER HA H 98 4.736 4.736 4.831 -0.095 18096 8694 1 12 . 1 1 98 98 SER CA C 98 56.614 56.614 55.766 0.848 18096 8695 1 12 . 1 1 98 98 SER CB C 98 63.622 63.622 65.061 -1.439 18096 8696 1 12 . 1 1 98 98 SER H H 98 8.250 8.250 8.199 0.051 18096 8697 1 12 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.475 -0.081 18096 8698 1 12 . 1 1 99 99 PRO C C 99 176.879 176.879 176.536 0.343 18096 8699 1 12 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.120 -0.423 18096 8700 1 12 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.339 -0.293 18096 8701 1 12 . 1 1 100 100 GLU N N 100 120.297 120.297 116.555 3.742 18096 8702 1 12 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.453 -0.154 18096 8703 1 12 . 1 1 100 100 GLU C C 100 176.576 176.576 175.520 1.056 18096 8704 1 12 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.896 0.571 18096 8705 1 12 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.462 -1.518 18096 8706 1 12 . 1 1 100 100 GLU H H 100 8.391 8.391 7.805 0.586 18096 8707 1 12 . 1 1 101 101 THR N N 101 114.144 114.144 114.953 -0.809 18096 8708 1 12 . 1 1 101 101 THR HA H 101 4.280 4.280 4.303 -0.023 18096 8709 1 12 . 1 1 101 101 THR C C 101 174.515 174.515 174.313 0.202 18096 8710 1 12 . 1 1 101 101 THR CA C 101 61.975 61.975 62.579 -0.604 18096 8711 1 12 . 1 1 101 101 THR CB C 101 69.817 69.817 69.513 0.304 18096 8712 1 12 . 1 1 101 101 THR H H 101 7.946 7.946 8.226 -0.280 18096 8713 1 12 . 1 1 102 102 HIS N N 102 120.429 120.429 118.694 1.735 18096 8714 1 12 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.593 0.157 18096 8715 1 12 . 1 1 102 102 HIS C C 102 174.764 174.764 174.695 0.069 18096 8716 1 12 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.540 0.145 18096 8717 1 12 . 1 1 102 102 HIS CB C 102 29.245 29.245 32.101 -2.856 18096 8718 1 12 . 1 1 102 102 HIS H H 102 8.459 8.459 8.805 -0.346 18096 8719 1 12 . 1 1 103 103 THR N N 103 114.319 114.319 115.135 -0.816 18096 8720 1 12 . 1 1 103 103 THR HA H 103 4.345 4.345 4.476 -0.131 18096 8721 1 12 . 1 1 103 103 THR C C 103 175.087 175.087 174.343 0.744 18096 8722 1 12 . 1 1 103 103 THR CA C 103 61.976 61.976 62.267 -0.291 18096 8723 1 12 . 1 1 103 103 THR CB C 103 69.831 69.831 69.159 0.672 18096 8724 1 12 . 1 1 103 103 THR H H 103 8.068 8.068 8.066 0.002 18096 8725 1 12 . 1 1 104 104 GLY N N 104 111.143 111.143 109.256 1.887 18096 8726 1 12 . 1 1 104 104 GLY C C 104 174.757 174.757 173.377 1.380 18096 8727 1 12 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.689 -0.087 18096 8728 1 12 . 1 1 104 104 GLY H H 104 8.389 8.389 7.740 0.649 18096 8729 1 12 . 1 1 105 105 GLY N N 105 108.642 108.642 108.764 -0.122 18096 8730 1 12 . 1 1 105 105 GLY C C 105 174.892 174.892 174.479 0.413 18096 8731 1 12 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.495 0.107 18096 8732 1 12 . 1 1 105 105 GLY H H 105 8.272 8.272 8.515 -0.243 18096 8733 1 12 . 1 1 106 106 GLY N N 106 108.820 108.820 109.708 -0.888 18096 8734 1 12 . 1 1 106 106 GLY C C 106 174.886 174.886 173.239 1.647 18096 8735 1 12 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.515 1.087 18096 8736 1 12 . 1 1 106 106 GLY H H 106 8.359 8.359 8.038 0.321 18096 8737 1 12 . 1 1 107 107 GLY N N 107 108.550 108.550 107.073 1.477 18096 8738 1 12 . 1 1 107 107 GLY C C 107 174.886 174.886 174.109 0.777 18096 8739 1 12 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.926 -0.324 18096 8740 1 12 . 1 1 107 107 GLY H H 107 8.338 8.338 8.527 -0.189 18096 8741 1 12 . 1 1 108 108 GLY N N 108 108.519 108.519 107.198 1.321 18096 8742 1 12 . 1 1 108 108 GLY C C 108 175.411 175.411 175.766 -0.355 18096 8743 1 12 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.878 0.929 18096 8744 1 12 . 1 1 108 108 GLY H H 108 8.336 8.336 8.286 0.050 18096 8745 1 12 . 1 1 109 109 ILE N N 109 120.914 120.914 122.169 -1.255 18096 8746 1 12 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.851 0.125 18096 8747 1 12 . 1 1 109 109 ILE C C 109 176.019 176.019 176.228 -0.209 18096 8748 1 12 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.867 -0.940 18096 8749 1 12 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.777 0.296 18096 8750 1 12 . 1 1 109 109 ILE H H 109 8.233 8.233 8.242 -0.009 18096 8751 1 12 . 1 1 110 110 ASP N N 110 121.149 121.149 118.652 2.497 18096 8752 1 12 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.478 -0.226 18096 8753 1 12 . 1 1 110 110 ASP C C 110 177.648 177.648 178.918 -1.270 18096 8754 1 12 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.567 -0.766 18096 8755 1 12 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.885 0.296 18096 8756 1 12 . 1 1 110 110 ASP H H 110 8.369 8.369 8.624 -0.255 18096 8757 1 12 . 1 1 111 111 ARG N N 111 119.198 119.198 120.194 -0.996 18096 8758 1 12 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.162 -0.173 18096 8759 1 12 . 1 1 111 111 ARG C C 111 177.502 177.502 178.769 -1.267 18096 8760 1 12 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.673 0.047 18096 8761 1 12 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.067 0.036 18096 8762 1 12 . 1 1 111 111 ARG H H 111 7.835 7.835 7.980 -0.145 18096 8763 1 12 . 1 1 112 112 LEU N N 112 118.935 118.935 120.655 -1.720 18096 8764 1 12 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.073 -0.070 18096 8765 1 12 . 1 1 112 112 LEU C C 112 178.356 178.356 178.597 -0.241 18096 8766 1 12 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.453 -0.218 18096 8767 1 12 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.820 -0.077 18096 8768 1 12 . 1 1 112 112 LEU H H 112 7.783 7.783 8.571 -0.788 18096 8769 1 12 . 1 1 113 113 PHE N N 113 116.117 116.117 118.785 -2.668 18096 8770 1 12 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.205 -0.121 18096 8771 1 12 . 1 1 113 113 PHE C C 113 177.092 177.092 177.367 -0.275 18096 8772 1 12 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.761 1.631 18096 8773 1 12 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.985 -0.094 18096 8774 1 12 . 1 1 113 113 PHE H H 113 8.072 8.072 7.569 0.503 18096 8775 1 12 . 1 1 114 114 LEU N N 114 118.710 118.710 120.509 -1.799 18096 8776 1 12 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.948 0.053 18096 8777 1 12 . 1 1 114 114 LEU C C 114 178.210 178.210 178.124 0.086 18096 8778 1 12 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.977 -0.468 18096 8779 1 12 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.715 0.069 18096 8780 1 12 . 1 1 114 114 LEU H H 114 7.881 7.881 7.551 0.330 18096 8781 1 12 . 1 1 115 115 TRP N N 115 117.801 117.801 121.212 -3.411 18096 8782 1 12 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.299 -0.017 18096 8783 1 12 . 1 1 115 115 TRP C C 115 178.536 178.536 178.484 0.052 18096 8784 1 12 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.895 -1.151 18096 8785 1 12 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.504 -0.379 18096 8786 1 12 . 1 1 115 115 TRP H H 115 7.925 7.925 8.115 -0.190 18096 8787 1 12 . 1 1 116 116 ILE N N 116 118.212 118.212 115.776 2.436 18096 8788 1 12 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.470 0.224 18096 8789 1 12 . 1 1 116 116 ILE C C 116 177.423 177.423 177.394 0.029 18096 8790 1 12 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.343 1.644 18096 8791 1 12 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.341 0.810 18096 8792 1 12 . 1 1 116 116 ILE H H 116 8.355 8.355 7.547 0.808 18096 8793 1 12 . 1 1 117 117 PHE N N 117 119.509 119.509 121.592 -2.083 18096 8794 1 12 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.054 0.040 18096 8795 1 12 . 1 1 117 117 PHE C C 117 177.389 177.389 177.338 0.051 18096 8796 1 12 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.119 0.826 18096 8797 1 12 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.776 0.163 18096 8798 1 12 . 1 1 117 117 PHE H H 117 8.419 8.419 7.340 1.079 18096 8799 1 12 . 1 1 118 118 VAL N N 118 118.927 118.927 118.948 -0.021 18096 8800 1 12 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.621 -0.111 18096 8801 1 12 . 1 1 118 118 VAL C C 118 177.452 177.452 177.909 -0.457 18096 8802 1 12 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.931 0.509 18096 8803 1 12 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.109 0.353 18096 8804 1 12 . 1 1 118 118 VAL H H 118 8.509 8.509 7.979 0.530 18096 8805 1 12 . 1 1 119 119 PHE N N 119 118.638 118.638 120.185 -1.547 18096 8806 1 12 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.009 0.031 18096 8807 1 12 . 1 1 119 119 PHE C C 119 177.403 177.403 177.988 -0.585 18096 8808 1 12 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.567 0.036 18096 8809 1 12 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.175 0.971 18096 8810 1 12 . 1 1 119 119 PHE H H 119 8.477 8.477 7.627 0.850 18096 8811 1 12 . 1 1 120 120 VAL N N 120 118.660 118.660 118.924 -0.264 18096 8812 1 12 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.765 -0.298 18096 8813 1 12 . 1 1 120 120 VAL C C 120 177.851 177.851 177.425 0.426 18096 8814 1 12 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.782 1.654 18096 8815 1 12 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.414 0.245 18096 8816 1 12 . 1 1 120 120 VAL H H 120 8.705 8.705 7.795 0.910 18096 8817 1 12 . 1 1 121 121 CYS N N 121 117.055 117.055 118.221 -1.166 18096 8818 1 12 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.203 -0.301 18096 8819 1 12 . 1 1 121 121 CYS C C 121 177.629 177.629 177.215 0.414 18096 8820 1 12 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.289 2.050 18096 8821 1 12 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.568 0.221 18096 8822 1 12 . 1 1 121 121 CYS H H 121 7.981 7.981 7.529 0.452 18096 8823 1 12 . 1 1 122 122 VAL N N 122 120.422 120.422 122.363 -1.941 18096 8824 1 12 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.598 -0.119 18096 8825 1 12 . 1 1 122 122 VAL C C 122 176.923 176.923 178.029 -1.106 18096 8826 1 12 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.530 0.731 18096 8827 1 12 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.843 0.283 18096 8828 1 12 . 1 1 122 122 VAL H H 122 8.487 8.487 8.357 0.130 18096 8829 1 12 . 1 1 123 123 PHE N N 123 117.927 117.927 119.055 -1.128 18096 8830 1 12 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.116 -0.082 18096 8831 1 12 . 1 1 123 123 PHE C C 123 178.151 178.151 177.528 0.623 18096 8832 1 12 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.345 0.749 18096 8833 1 12 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.891 -0.253 18096 8834 1 12 . 1 1 123 123 PHE H H 123 8.630 8.630 8.478 0.152 18096 8835 1 12 . 1 1 124 124 GLY N N 124 106.539 106.539 106.427 0.112 18096 8836 1 12 . 1 1 124 124 GLY C C 124 174.290 174.290 175.617 -1.327 18096 8837 1 12 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.193 0.358 18096 8838 1 12 . 1 1 124 124 GLY H H 124 8.689 8.689 7.912 0.777 18096 8839 1 12 . 1 1 125 125 THR N N 125 117.059 117.059 117.165 -0.106 18096 8840 1 12 . 1 1 125 125 THR HA H 125 3.649 3.649 3.938 -0.289 18096 8841 1 12 . 1 1 125 125 THR C C 125 176.231 176.231 176.931 -0.700 18096 8842 1 12 . 1 1 125 125 THR CA C 125 67.989 67.989 66.319 1.670 18096 8843 1 12 . 1 1 125 125 THR H H 125 7.553 7.553 8.023 -0.470 18096 8844 1 12 . 1 1 126 126 ILE N N 126 119.538 119.538 120.959 -1.421 18096 8845 1 12 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.797 -0.149 18096 8846 1 12 . 1 1 126 126 ILE C C 126 177.976 177.976 178.283 -0.307 18096 8847 1 12 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.271 1.444 18096 8848 1 12 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.194 0.636 18096 8849 1 12 . 1 1 126 126 ILE H H 126 8.003 8.003 8.061 -0.058 18096 8850 1 12 . 1 1 127 127 GLY N N 127 105.404 105.404 108.682 -3.278 18096 8851 1 12 . 1 1 127 127 GLY C C 127 174.597 174.597 175.752 -1.155 18096 8852 1 12 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.816 0.753 18096 8853 1 12 . 1 1 127 127 GLY H H 127 8.438 8.438 7.654 0.784 18096 8854 1 12 . 1 1 128 128 MET N N 128 117.893 117.893 117.858 0.035 18096 8855 1 12 . 1 1 128 128 MET HA H 128 4.153 4.153 4.373 -0.220 18096 8856 1 12 . 1 1 128 128 MET C C 128 177.815 177.815 176.624 1.191 18096 8857 1 12 . 1 1 128 128 MET CA C 128 58.198 58.198 57.991 0.207 18096 8858 1 12 . 1 1 128 128 MET CB C 128 32.113 32.113 32.799 -0.686 18096 8859 1 12 . 1 1 128 128 MET H H 128 7.821 7.821 8.038 -0.217 18096 8860 1 12 . 1 1 129 129 PHE N N 129 116.018 116.018 118.695 -2.677 18096 8861 1 12 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.364 -0.230 18096 8862 1 12 . 1 1 129 129 PHE C C 129 175.863 175.863 175.671 0.192 18096 8863 1 12 . 1 1 129 129 PHE CA C 129 59.815 59.815 59.981 -0.167 18096 8864 1 12 . 1 1 129 129 PHE CB C 129 39.090 39.090 40.269 -1.179 18096 8865 1 12 . 1 1 129 129 PHE H H 129 7.797 7.797 7.723 0.074 18096 8866 1 12 . 1 1 130 130 LEU N N 130 115.806 115.806 117.747 -1.941 18096 8867 1 12 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.324 0.014 18096 8868 1 12 . 1 1 130 130 LEU C C 130 177.219 177.219 177.398 -0.179 18096 8869 1 12 . 1 1 130 130 LEU CA C 130 55.467 55.467 53.873 1.594 18096 8870 1 12 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.852 -0.428 18096 8871 1 12 . 1 1 130 130 LEU H H 130 7.745 7.745 7.828 -0.083 18096 8872 1 12 . 1 1 131 131 GLN N N 131 118.630 118.630 119.786 -1.156 18096 8873 1 12 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.131 -0.027 18096 8874 1 12 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.021 2.298 18096 8875 1 12 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.295 -0.474 18096 8876 1 12 . 1 1 131 131 GLN H H 131 7.808 7.808 7.494 0.314 18096 8877 1 12 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.379 -0.006 18096 8878 1 12 . 1 1 132 132 PRO C C 132 177.739 177.739 176.869 0.870 18096 8879 1 12 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.407 2.976 18096 8880 1 12 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.319 -0.793 18096 8881 1 12 . 1 1 133 133 LEU N N 133 115.632 115.632 118.110 -2.478 18096 8882 1 12 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.049 0.015 18096 8883 1 12 . 1 1 133 133 LEU C C 133 176.918 176.918 176.793 0.125 18096 8884 1 12 . 1 1 133 133 LEU CA C 133 56.401 56.401 57.097 -0.696 18096 8885 1 12 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.000 -0.011 18096 8886 1 12 . 1 1 133 133 LEU H H 133 7.689 7.689 8.388 -0.699 18096 8887 1 12 . 1 1 134 134 PHE N N 134 114.807 114.807 114.475 0.332 18096 8888 1 12 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.511 0.018 18096 8889 1 12 . 1 1 134 134 PHE C C 134 175.245 175.245 174.369 0.876 18096 8890 1 12 . 1 1 134 134 PHE CA C 134 57.738 57.738 58.794 -1.056 18096 8891 1 12 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.554 0.055 18096 8892 1 12 . 1 1 134 134 PHE H H 134 7.679 7.679 7.493 0.186 18096 8893 1 12 . 1 1 135 135 GLN N N 135 118.318 118.318 118.462 -0.144 18096 8894 1 12 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.396 -0.081 18096 8895 1 12 . 1 1 135 135 GLN C C 135 175.361 175.361 175.274 0.087 18096 8896 1 12 . 1 1 135 135 GLN CA C 135 56.107 56.107 55.910 0.197 18096 8897 1 12 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.747 0.119 18096 8898 1 12 . 1 1 135 135 GLN H H 135 7.651 7.651 8.191 -0.540 18096 8899 1 12 . 1 1 136 136 GLU N N 136 120.684 120.684 119.670 1.014 18096 8900 1 12 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.186 0.125 18096 8901 1 12 . 1 1 136 136 GLU C C 136 175.153 175.153 175.381 -0.228 18096 8902 1 12 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.014 -0.539 18096 8903 1 12 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.710 1.522 18096 8904 1 12 . 1 1 136 136 GLU H H 136 8.109 8.109 8.562 -0.453 18096 8905 1 13 . 1 1 3 3 ALA N N 3 124.656 124.656 122.701 1.955 18096 8906 1 13 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.568 -0.362 18096 8907 1 13 . 1 1 3 3 ALA C C 3 178.133 178.133 176.904 1.229 18096 8908 1 13 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.977 1.708 18096 8909 1 13 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.724 -0.640 18096 8910 1 13 . 1 1 3 3 ALA H H 3 8.402 8.402 8.011 0.391 18096 8911 1 13 . 1 1 4 4 GLU N N 4 117.439 117.439 119.775 -2.336 18096 8912 1 13 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.554 -0.425 18096 8913 1 13 . 1 1 4 4 GLU C C 4 176.534 176.534 176.205 0.329 18096 8914 1 13 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.628 0.796 18096 8915 1 13 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.806 0.078 18096 8916 1 13 . 1 1 4 4 GLU H H 4 8.219 8.219 8.247 -0.028 18096 8917 1 13 . 1 1 5 5 GLU N N 5 118.815 118.815 118.849 -0.034 18096 8918 1 13 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.448 -0.237 18096 8919 1 13 . 1 1 5 5 GLU C C 5 176.604 176.604 177.061 -0.457 18096 8920 1 13 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.435 0.516 18096 8921 1 13 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.890 0.072 18096 8922 1 13 . 1 1 5 5 GLU H H 5 7.992 7.992 8.517 -0.525 18096 8923 1 13 . 1 1 6 6 GLU N N 6 121.446 121.446 122.475 -1.029 18096 8924 1 13 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.059 0.125 18096 8925 1 13 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.519 -3.098 18096 8926 1 13 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.223 0.760 18096 8927 1 13 . 1 1 6 6 GLU H H 6 8.148 8.148 8.597 -0.449 18096 8928 1 13 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.439 -0.176 18096 8929 1 13 . 1 1 7 7 PRO C C 7 178.717 178.717 178.108 0.609 18096 8930 1 13 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.981 0.548 18096 8931 1 13 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.184 0.139 18096 8932 1 13 . 1 1 8 8 LEU N N 8 119.642 119.642 117.853 1.789 18096 8933 1 13 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.314 -0.362 18096 8934 1 13 . 1 1 8 8 LEU C C 8 177.905 177.905 177.878 0.027 18096 8935 1 13 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.241 1.690 18096 8936 1 13 . 1 1 8 8 LEU CB C 8 41.773 41.773 40.947 0.826 18096 8937 1 13 . 1 1 8 8 LEU H H 8 8.222 8.222 8.120 0.102 18096 8938 1 13 . 1 1 9 9 PHE N N 9 118.625 118.625 117.707 0.918 18096 8939 1 13 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.250 -0.078 18096 8940 1 13 . 1 1 9 9 PHE C C 9 177.620 177.620 177.075 0.545 18096 8941 1 13 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.635 0.437 18096 8942 1 13 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.976 -0.138 18096 8943 1 13 . 1 1 9 9 PHE H H 9 8.071 8.071 7.887 0.184 18096 8944 1 13 . 1 1 10 10 TYR N N 10 117.829 117.829 120.923 -3.094 18096 8945 1 13 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.166 0.024 18096 8946 1 13 . 1 1 10 10 TYR C C 10 177.743 177.743 177.368 0.375 18096 8947 1 13 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.279 -0.070 18096 8948 1 13 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.468 0.247 18096 8949 1 13 . 1 1 10 10 TYR H H 10 8.204 8.204 7.645 0.559 18096 8950 1 13 . 1 1 11 11 THR N N 11 115.545 115.545 114.318 1.227 18096 8951 1 13 . 1 1 11 11 THR HA H 11 3.875 3.875 3.185 0.690 18096 8952 1 13 . 1 1 11 11 THR C C 11 175.937 175.937 176.204 -0.267 18096 8953 1 13 . 1 1 11 11 THR CA C 11 67.187 67.187 65.147 2.040 18096 8954 1 13 . 1 1 11 11 THR CB C 11 68.579 68.579 68.147 0.432 18096 8955 1 13 . 1 1 11 11 THR H H 11 7.934 7.934 7.426 0.508 18096 8956 1 13 . 1 1 12 12 ILE N N 12 120.096 120.096 120.838 -0.742 18096 8957 1 13 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.488 0.194 18096 8958 1 13 . 1 1 12 12 ILE C C 12 175.863 175.863 177.575 -1.712 18096 8959 1 13 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.058 -0.237 18096 8960 1 13 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.483 0.473 18096 8961 1 13 . 1 1 12 12 ILE H H 12 8.172 8.172 7.269 0.903 18096 8962 1 13 . 1 1 13 13 ASN N N 13 114.444 114.444 116.465 -2.021 18096 8963 1 13 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.517 -0.124 18096 8964 1 13 . 1 1 13 13 ASN C C 13 174.880 174.880 176.316 -1.436 18096 8965 1 13 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.593 -0.336 18096 8966 1 13 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.507 1.039 18096 8967 1 13 . 1 1 13 13 ASN H H 13 7.731 7.731 7.680 0.051 18096 8968 1 13 . 1 1 14 14 LEU N N 14 115.306 115.306 118.839 -3.533 18096 8969 1 13 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.264 0.082 18096 8970 1 13 . 1 1 14 14 LEU C C 14 177.427 177.427 177.835 -0.408 18096 8971 1 13 . 1 1 14 14 LEU CA C 14 56.370 56.370 55.740 0.630 18096 8972 1 13 . 1 1 14 14 LEU CB C 14 41.766 41.766 41.762 0.004 18096 8973 1 13 . 1 1 14 14 LEU H H 14 7.381 7.381 7.244 0.137 18096 8974 1 13 . 1 1 15 15 ILE N N 15 117.935 117.935 120.391 -2.456 18096 8975 1 13 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.644 -0.046 18096 8976 1 13 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.983 0.469 18096 8977 1 13 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.108 -0.427 18096 8978 1 13 . 1 1 15 15 ILE H H 15 8.135 8.135 7.324 0.811 18096 8979 1 13 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.340 -0.294 18096 8980 1 13 . 1 1 17 17 PRO C C 17 177.518 177.518 178.573 -1.055 18096 8981 1 13 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.715 0.930 18096 8982 1 13 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.939 0.027 18096 8983 1 13 . 1 1 18 18 CYS N N 18 113.411 113.411 118.075 -4.664 18096 8984 1 13 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.009 -0.058 18096 8985 1 13 . 1 1 18 18 CYS C C 18 177.617 177.617 176.894 0.723 18096 8986 1 13 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.182 1.306 18096 8987 1 13 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.648 -0.880 18096 8988 1 13 . 1 1 18 18 CYS H H 18 7.338 7.338 7.425 -0.087 18096 8989 1 13 . 1 1 19 19 VAL N N 19 121.720 121.720 120.246 1.474 18096 8990 1 13 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.590 -0.069 18096 8991 1 13 . 1 1 19 19 VAL C C 19 178.069 178.069 178.283 -0.214 18096 8992 1 13 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.205 0.860 18096 8993 1 13 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.646 0.106 18096 8994 1 13 . 1 1 19 19 VAL H H 19 8.587 8.587 7.793 0.794 18096 8995 1 13 . 1 1 20 20 LEU N N 20 121.731 121.731 120.738 0.993 18096 8996 1 13 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.878 0.143 18096 8997 1 13 . 1 1 20 20 LEU C C 20 177.989 177.989 179.009 -1.020 18096 8998 1 13 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.029 0.620 18096 8999 1 13 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.908 0.026 18096 9000 1 13 . 1 1 20 20 LEU H H 20 8.344 8.344 7.366 0.978 18096 9001 1 13 . 1 1 21 21 ILE N N 21 117.403 117.403 118.838 -1.435 18096 9002 1 13 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.602 0.067 18096 9003 1 13 . 1 1 21 21 ILE C C 21 176.947 176.947 177.927 -0.980 18096 9004 1 13 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.782 -0.426 18096 9005 1 13 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.847 0.071 18096 9006 1 13 . 1 1 21 21 ILE H H 21 8.371 8.371 8.597 -0.226 18096 9007 1 13 . 1 1 22 22 THR N N 22 115.544 115.544 114.919 0.625 18096 9008 1 13 . 1 1 22 22 THR HA H 22 3.681 3.681 3.982 -0.301 18096 9009 1 13 . 1 1 22 22 THR C C 22 176.073 176.073 176.865 -0.792 18096 9010 1 13 . 1 1 22 22 THR CA C 22 68.152 68.152 66.463 1.689 18096 9011 1 13 . 1 1 22 22 THR CB C 22 68.428 68.428 68.057 0.371 18096 9012 1 13 . 1 1 22 22 THR H H 22 7.829 7.829 7.643 0.186 18096 9013 1 13 . 1 1 23 23 SER N N 23 116.192 116.192 118.058 -1.866 18096 9014 1 13 . 1 1 23 23 SER HA H 23 4.023 4.023 4.073 -0.050 18096 9015 1 13 . 1 1 23 23 SER C C 23 175.279 175.279 176.687 -1.408 18096 9016 1 13 . 1 1 23 23 SER CA C 23 63.884 63.884 61.645 2.239 18096 9017 1 13 . 1 1 23 23 SER CB C 23 62.971 62.971 62.833 0.138 18096 9018 1 13 . 1 1 23 23 SER H H 23 8.069 8.069 7.774 0.295 18096 9019 1 13 . 1 1 24 24 LEU N N 24 120.855 120.855 122.434 -1.579 18096 9020 1 13 . 1 1 24 24 LEU HA H 24 3.981 3.981 3.910 0.071 18096 9021 1 13 . 1 1 24 24 LEU C C 24 177.542 177.542 178.957 -1.415 18096 9022 1 13 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.907 0.129 18096 9023 1 13 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.263 0.678 18096 9024 1 13 . 1 1 24 24 LEU H H 24 7.858 7.858 7.679 0.179 18096 9025 1 13 . 1 1 25 25 ALA N N 25 119.507 119.507 121.628 -2.121 18096 9026 1 13 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.095 -0.155 18096 9027 1 13 . 1 1 25 25 ALA C C 25 177.915 177.915 179.993 -2.078 18096 9028 1 13 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.190 0.422 18096 9029 1 13 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.257 -0.006 18096 9030 1 13 . 1 1 25 25 ALA H H 25 8.141 8.141 7.568 0.573 18096 9031 1 13 . 1 1 26 26 ILE N N 26 115.689 115.689 118.568 -2.879 18096 9032 1 13 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.694 0.104 18096 9033 1 13 . 1 1 26 26 ILE C C 26 177.729 177.729 178.196 -0.467 18096 9034 1 13 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.993 0.347 18096 9035 1 13 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.880 -0.050 18096 9036 1 13 . 1 1 26 26 ILE H H 26 8.012 8.012 7.666 0.346 18096 9037 1 13 . 1 1 27 27 LEU N N 27 118.567 118.567 120.905 -2.338 18096 9038 1 13 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.993 0.013 18096 9039 1 13 . 1 1 27 27 LEU C C 27 178.364 178.364 178.828 -0.464 18096 9040 1 13 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.959 -0.222 18096 9041 1 13 . 1 1 27 27 LEU CB C 27 41.837 41.837 42.045 -0.208 18096 9042 1 13 . 1 1 27 27 LEU H H 27 8.045 8.045 8.032 0.013 18096 9043 1 13 . 1 1 28 28 VAL N N 28 113.720 113.720 118.615 -4.895 18096 9044 1 13 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.632 -0.057 18096 9045 1 13 . 1 1 28 28 VAL C C 28 177.809 177.809 177.840 -0.031 18096 9046 1 13 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.591 -0.578 18096 9047 1 13 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.881 0.169 18096 9048 1 13 . 1 1 28 28 VAL H H 28 8.008 8.008 7.905 0.103 18096 9049 1 13 . 1 1 29 29 PHE N N 29 115.458 115.458 115.771 -0.313 18096 9050 1 13 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.329 -0.120 18096 9051 1 13 . 1 1 29 29 PHE C C 29 176.366 176.366 176.663 -0.297 18096 9052 1 13 . 1 1 29 29 PHE CA C 29 60.858 60.858 60.435 0.423 18096 9053 1 13 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.491 0.106 18096 9054 1 13 . 1 1 29 29 PHE H H 29 7.915 7.915 7.739 0.176 18096 9055 1 13 . 1 1 30 30 TYR N N 30 115.649 115.649 117.682 -2.033 18096 9056 1 13 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.548 -0.307 18096 9057 1 13 . 1 1 30 30 TYR C C 30 175.388 175.388 175.660 -0.272 18096 9058 1 13 . 1 1 30 30 TYR CA C 30 59.386 59.386 59.873 -0.487 18096 9059 1 13 . 1 1 30 30 TYR CB C 30 39.640 39.640 40.103 -0.463 18096 9060 1 13 . 1 1 30 30 TYR H H 30 8.002 8.002 7.674 0.328 18096 9061 1 13 . 1 1 31 31 LEU N N 31 121.144 121.144 120.920 0.224 18096 9062 1 13 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.816 -0.368 18096 9063 1 13 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.495 1.654 18096 9064 1 13 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.256 -0.920 18096 9065 1 13 . 1 1 31 31 LEU H H 31 7.514 7.514 7.874 -0.360 18096 9066 1 13 . 1 1 32 32 PRO C C 32 176.530 176.530 176.381 0.149 18096 9067 1 13 . 1 1 33 33 SER N N 33 115.448 115.448 117.201 -1.753 18096 9068 1 13 . 1 1 33 33 SER HA H 33 4.317 4.317 4.553 -0.236 18096 9069 1 13 . 1 1 33 33 SER C C 33 174.174 174.174 173.640 0.534 18096 9070 1 13 . 1 1 33 33 SER CA C 33 59.954 59.954 56.812 3.142 18096 9071 1 13 . 1 1 33 33 SER H H 33 8.370 8.370 7.887 0.483 18096 9072 1 13 . 1 1 34 34 ASP N N 34 119.694 119.694 120.850 -1.156 18096 9073 1 13 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.919 -0.334 18096 9074 1 13 . 1 1 34 34 ASP C C 34 175.971 175.971 175.917 0.054 18096 9075 1 13 . 1 1 34 34 ASP CA C 34 54.442 54.442 53.686 0.756 18096 9076 1 13 . 1 1 34 34 ASP CB C 34 41.240 41.240 39.416 1.824 18096 9077 1 13 . 1 1 34 34 ASP H H 34 8.209 8.209 8.720 -0.511 18096 9078 1 13 . 1 1 35 35 CYS N N 35 114.872 114.872 118.853 -3.981 18096 9079 1 13 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.626 -0.423 18096 9080 1 13 . 1 1 35 35 CYS C C 35 175.147 175.147 175.420 -0.273 18096 9081 1 13 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.264 1.857 18096 9082 1 13 . 1 1 35 35 CYS CB C 35 27.886 27.886 29.118 -1.232 18096 9083 1 13 . 1 1 35 35 CYS H H 35 7.750 7.750 8.019 -0.269 18096 9084 1 13 . 1 1 36 36 GLY N N 36 110.059 110.059 109.454 0.605 18096 9085 1 13 . 1 1 36 36 GLY C C 36 174.391 174.391 175.026 -0.635 18096 9086 1 13 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.421 0.866 18096 9087 1 13 . 1 1 36 36 GLY H H 36 8.357 8.357 8.266 0.091 18096 9088 1 13 . 1 1 37 37 GLU N N 37 121.785 121.785 120.478 1.307 18096 9089 1 13 . 1 1 37 37 GLU HA H 37 4.066 4.066 3.960 0.106 18096 9090 1 13 . 1 1 37 37 GLU C C 37 176.536 176.536 177.953 -1.417 18096 9091 1 13 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.212 -0.685 18096 9092 1 13 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.644 0.086 18096 9093 1 13 . 1 1 37 37 GLU H H 37 8.359 8.359 8.604 -0.245 18096 9094 1 13 . 1 1 38 38 LYS N N 38 123.927 123.927 119.304 4.623 18096 9095 1 13 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.945 0.178 18096 9096 1 13 . 1 1 38 38 LYS C C 38 177.544 177.544 179.059 -1.515 18096 9097 1 13 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.999 -1.430 18096 9098 1 13 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.985 -0.308 18096 9099 1 13 . 1 1 38 38 LYS H H 38 8.226 8.226 8.605 -0.379 18096 9100 1 13 . 1 1 39 39 MET N N 39 117.932 117.932 116.606 1.326 18096 9101 1 13 . 1 1 39 39 MET HA H 39 4.135 4.135 4.204 -0.069 18096 9102 1 13 . 1 1 39 39 MET C C 39 178.602 178.602 178.549 0.053 18096 9103 1 13 . 1 1 39 39 MET CA C 39 58.851 58.851 58.899 -0.048 18096 9104 1 13 . 1 1 39 39 MET CB C 39 32.220 32.220 32.333 -0.113 18096 9105 1 13 . 1 1 39 39 MET H H 39 8.262 8.262 8.017 0.245 18096 9106 1 13 . 1 1 40 40 THR N N 40 117.201 117.201 117.043 0.158 18096 9107 1 13 . 1 1 40 40 THR HA H 40 3.673 3.673 3.940 -0.267 18096 9108 1 13 . 1 1 40 40 THR C C 40 175.927 175.927 176.786 -0.859 18096 9109 1 13 . 1 1 40 40 THR CA C 40 67.352 67.352 66.364 0.988 18096 9110 1 13 . 1 1 40 40 THR H H 40 8.341 8.341 7.770 0.571 18096 9111 1 13 . 1 1 41 41 LEU N N 41 120.040 120.040 122.607 -2.567 18096 9112 1 13 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.119 -0.067 18096 9113 1 13 . 1 1 41 41 LEU C C 41 177.809 177.809 178.312 -0.503 18096 9114 1 13 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.086 0.301 18096 9115 1 13 . 1 1 41 41 LEU H H 41 8.181 8.181 8.583 -0.402 18096 9116 1 13 . 1 1 42 42 CYS N N 42 117.556 117.556 118.020 -0.464 18096 9117 1 13 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.136 -0.184 18096 9118 1 13 . 1 1 42 42 CYS C C 42 176.460 176.460 177.421 -0.961 18096 9119 1 13 . 1 1 42 42 CYS CA C 42 64.496 64.496 62.660 1.836 18096 9120 1 13 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.416 0.417 18096 9121 1 13 . 1 1 42 42 CYS H H 42 7.949 7.949 7.658 0.291 18096 9122 1 13 . 1 1 43 43 ILE N N 43 117.336 117.336 120.355 -3.019 18096 9123 1 13 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.743 -0.114 18096 9124 1 13 . 1 1 43 43 ILE C C 43 177.256 177.256 178.008 -0.752 18096 9125 1 13 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.800 0.275 18096 9126 1 13 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.856 0.088 18096 9127 1 13 . 1 1 43 43 ILE H H 43 8.347 8.347 7.594 0.753 18096 9128 1 13 . 1 1 44 44 SER N N 44 116.243 116.243 116.957 -0.714 18096 9129 1 13 . 1 1 44 44 SER HA H 44 4.083 4.083 4.273 -0.190 18096 9130 1 13 . 1 1 44 44 SER C C 44 176.305 176.305 176.670 -0.365 18096 9131 1 13 . 1 1 44 44 SER CA C 44 63.348 63.348 62.452 0.896 18096 9132 1 13 . 1 1 44 44 SER CB C 44 62.954 62.954 63.373 -0.419 18096 9133 1 13 . 1 1 44 44 SER H H 44 8.064 8.064 7.796 0.268 18096 9134 1 13 . 1 1 45 45 VAL N N 45 120.333 120.333 121.729 -1.396 18096 9135 1 13 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.900 -0.384 18096 9136 1 13 . 1 1 45 45 VAL C C 45 177.247 177.247 177.531 -0.284 18096 9137 1 13 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.236 1.702 18096 9138 1 13 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.459 0.301 18096 9139 1 13 . 1 1 45 45 VAL H H 45 8.036 8.036 8.056 -0.020 18096 9140 1 13 . 1 1 46 46 LEU N N 46 119.430 119.430 121.103 -1.673 18096 9141 1 13 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.135 -0.187 18096 9142 1 13 . 1 1 46 46 LEU C C 46 180.032 180.032 178.217 1.815 18096 9143 1 13 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.991 0.535 18096 9144 1 13 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.873 0.112 18096 9145 1 13 . 1 1 46 46 LEU H H 46 7.959 7.959 7.304 0.655 18096 9146 1 13 . 1 1 47 47 LEU N N 47 121.110 121.110 120.156 0.954 18096 9147 1 13 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.860 0.138 18096 9148 1 13 . 1 1 47 47 LEU C C 47 177.985 177.985 178.587 -0.602 18096 9149 1 13 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.587 -0.147 18096 9150 1 13 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.863 0.183 18096 9151 1 13 . 1 1 47 47 LEU H H 47 8.695 8.695 7.808 0.887 18096 9152 1 13 . 1 1 48 48 ALA N N 48 121.251 121.251 120.993 0.258 18096 9153 1 13 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.857 -0.012 18096 9154 1 13 . 1 1 48 48 ALA C C 48 178.834 178.834 179.662 -0.828 18096 9155 1 13 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.172 0.537 18096 9156 1 13 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.121 0.012 18096 9157 1 13 . 1 1 48 48 ALA H H 48 8.272 8.272 7.821 0.451 18096 9158 1 13 . 1 1 49 49 LEU N N 49 116.290 116.290 118.883 -2.593 18096 9159 1 13 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.270 -0.273 18096 9160 1 13 . 1 1 49 49 LEU C C 49 178.068 178.068 179.413 -1.345 18096 9161 1 13 . 1 1 49 49 LEU CA C 49 58.308 58.308 58.113 0.195 18096 9162 1 13 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.097 0.849 18096 9163 1 13 . 1 1 49 49 LEU H H 49 8.526 8.526 7.630 0.896 18096 9164 1 13 . 1 1 50 50 THR N N 50 115.495 115.495 115.060 0.435 18096 9165 1 13 . 1 1 50 50 THR HA H 50 3.692 3.692 4.075 -0.383 18096 9166 1 13 . 1 1 50 50 THR C C 50 176.061 176.061 177.262 -1.201 18096 9167 1 13 . 1 1 50 50 THR CA C 50 68.786 68.786 66.508 2.278 18096 9168 1 13 . 1 1 50 50 THR H H 50 7.996 7.996 7.890 0.106 18096 9169 1 13 . 1 1 51 51 VAL N N 51 119.977 119.977 121.723 -1.746 18096 9170 1 13 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.698 -0.202 18096 9171 1 13 . 1 1 51 51 VAL C C 51 177.063 177.063 178.101 -1.038 18096 9172 1 13 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.388 0.975 18096 9173 1 13 . 1 1 51 51 VAL CB C 51 31.618 31.618 30.947 0.671 18096 9174 1 13 . 1 1 51 51 VAL H H 51 8.145 8.145 7.995 0.150 18096 9175 1 13 . 1 1 52 52 PHE N N 52 118.836 118.836 119.841 -1.005 18096 9176 1 13 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.279 -0.177 18096 9177 1 13 . 1 1 52 52 PHE C C 52 176.721 176.721 177.766 -1.045 18096 9178 1 13 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.209 -0.570 18096 9179 1 13 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.393 0.936 18096 9180 1 13 . 1 1 52 52 PHE H H 52 8.354 8.354 7.857 0.497 18096 9181 1 13 . 1 1 53 53 LEU N N 53 117.271 117.271 120.949 -3.678 18096 9182 1 13 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.895 -0.023 18096 9183 1 13 . 1 1 53 53 LEU C C 53 179.184 179.184 178.747 0.437 18096 9184 1 13 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.723 -0.866 18096 9185 1 13 . 1 1 53 53 LEU CB C 53 41.995 41.995 42.092 -0.097 18096 9186 1 13 . 1 1 53 53 LEU H H 53 8.438 8.438 7.719 0.719 18096 9187 1 13 . 1 1 54 54 LEU N N 54 119.310 119.310 118.499 0.811 18096 9188 1 13 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.965 0.042 18096 9189 1 13 . 1 1 54 54 LEU C C 54 179.224 179.224 178.819 0.405 18096 9190 1 13 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.046 0.042 18096 9191 1 13 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.686 0.343 18096 9192 1 13 . 1 1 54 54 LEU H H 54 8.147 8.147 7.546 0.601 18096 9193 1 13 . 1 1 55 55 LEU N N 55 118.400 118.400 120.106 -1.706 18096 9194 1 13 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.901 0.199 18096 9195 1 13 . 1 1 55 55 LEU C C 55 178.974 178.974 178.896 0.078 18096 9196 1 13 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.512 -0.651 18096 9197 1 13 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.133 -0.161 18096 9198 1 13 . 1 1 55 55 LEU H H 55 8.096 8.096 7.391 0.705 18096 9199 1 13 . 1 1 56 56 ILE N N 56 115.919 115.919 116.569 -0.650 18096 9200 1 13 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.898 -0.042 18096 9201 1 13 . 1 1 56 56 ILE C C 56 176.763 176.763 178.262 -1.499 18096 9202 1 13 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.866 -0.355 18096 9203 1 13 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.415 0.274 18096 9204 1 13 . 1 1 56 56 ILE H H 56 8.028 8.028 7.744 0.284 18096 9205 1 13 . 1 1 57 57 SER N N 57 114.862 114.862 115.562 -0.700 18096 9206 1 13 . 1 1 57 57 SER HA H 57 4.178 4.178 4.187 -0.009 18096 9207 1 13 . 1 1 57 57 SER C C 57 175.258 175.258 176.196 -0.938 18096 9208 1 13 . 1 1 57 57 SER CA C 57 60.946 60.946 61.510 -0.564 18096 9209 1 13 . 1 1 57 57 SER CB C 57 63.558 63.558 63.032 0.526 18096 9210 1 13 . 1 1 57 57 SER H H 57 7.689 7.689 8.414 -0.725 18096 9211 1 13 . 1 1 58 58 LYS N N 58 118.080 118.080 117.375 0.705 18096 9212 1 13 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.387 -0.100 18096 9213 1 13 . 1 1 58 58 LYS C C 58 176.668 176.668 177.376 -0.708 18096 9214 1 13 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.428 -1.321 18096 9215 1 13 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.368 -1.304 18096 9216 1 13 . 1 1 58 58 LYS H H 58 7.595 7.595 7.562 0.033 18096 9217 1 13 . 1 1 59 59 ILE N N 59 116.926 116.926 122.686 -5.760 18096 9218 1 13 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.305 -0.271 18096 9219 1 13 . 1 1 59 59 ILE C C 59 175.226 175.226 175.266 -0.040 18096 9220 1 13 . 1 1 59 59 ILE CA C 59 62.384 62.384 59.775 2.609 18096 9221 1 13 . 1 1 59 59 ILE CB C 59 38.073 38.073 37.526 0.547 18096 9222 1 13 . 1 1 59 59 ILE H H 59 7.706 7.706 7.350 0.356 18096 9223 1 13 . 1 1 60 60 VAL N N 60 119.235 119.235 120.453 -1.218 18096 9224 1 13 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.039 0.287 18096 9225 1 13 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.729 -0.982 18096 9226 1 13 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.850 1.416 18096 9227 1 13 . 1 1 60 60 VAL H H 60 7.586 7.586 7.672 -0.086 18096 9228 1 13 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.628 0.016 18096 9229 1 13 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.236 0.285 18096 9230 1 13 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.258 -0.122 18096 9231 1 13 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.388 0.103 18096 9232 1 13 . 1 1 62 62 PRO C C 62 176.912 176.912 176.516 0.396 18096 9233 1 13 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.185 -0.942 18096 9234 1 13 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.961 -0.083 18096 9235 1 13 . 1 1 63 63 THR N N 63 111.607 111.607 115.533 -3.926 18096 9236 1 13 . 1 1 63 63 THR HA H 63 4.447 4.447 4.567 -0.120 18096 9237 1 13 . 1 1 63 63 THR C C 63 174.725 174.725 172.970 1.755 18096 9238 1 13 . 1 1 63 63 THR CA C 63 61.245 61.245 60.917 0.328 18096 9239 1 13 . 1 1 63 63 THR CB C 63 69.807 69.807 68.893 0.914 18096 9240 1 13 . 1 1 63 63 THR H H 63 7.915 7.915 8.125 -0.210 18096 9241 1 13 . 1 1 64 64 SER N N 64 116.516 116.516 122.363 -5.847 18096 9242 1 13 . 1 1 64 64 SER HA H 64 4.411 4.411 4.880 -0.469 18096 9243 1 13 . 1 1 64 64 SER C C 64 174.580 174.580 174.114 0.466 18096 9244 1 13 . 1 1 64 64 SER CA C 64 58.608 58.608 57.839 0.769 18096 9245 1 13 . 1 1 64 64 SER CB C 64 63.742 63.742 64.131 -0.389 18096 9246 1 13 . 1 1 64 64 SER H H 64 8.127 8.127 8.563 -0.436 18096 9247 1 13 . 1 1 65 65 SER N N 65 116.921 116.921 120.319 -3.398 18096 9248 1 13 . 1 1 65 65 SER HA H 65 4.453 4.453 4.536 -0.083 18096 9249 1 13 . 1 1 65 65 SER C C 65 174.100 174.100 174.436 -0.336 18096 9250 1 13 . 1 1 65 65 SER CA C 65 58.584 58.584 59.229 -0.645 18096 9251 1 13 . 1 1 65 65 SER CB C 65 63.668 63.668 63.591 0.077 18096 9252 1 13 . 1 1 65 65 SER H H 65 8.169 8.169 8.410 -0.241 18096 9253 1 13 . 1 1 66 66 ASP N N 66 120.478 120.478 120.935 -0.457 18096 9254 1 13 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.744 -0.120 18096 9255 1 13 . 1 1 66 66 ASP C C 66 175.730 175.730 176.056 -0.326 18096 9256 1 13 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.620 -0.375 18096 9257 1 13 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.455 -0.260 18096 9258 1 13 . 1 1 66 66 ASP H H 66 8.154 8.154 8.105 0.049 18096 9259 1 13 . 1 1 67 67 SER N N 67 115.159 115.159 116.344 -1.185 18096 9260 1 13 . 1 1 67 67 SER HA H 67 4.528 4.528 4.848 -0.320 18096 9261 1 13 . 1 1 67 67 SER CA C 67 56.493 56.493 55.248 1.245 18096 9262 1 13 . 1 1 67 67 SER CB C 67 63.604 63.604 63.633 -0.028 18096 9263 1 13 . 1 1 67 67 SER H H 67 7.930 7.930 8.050 -0.120 18096 9264 1 13 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.852 -0.457 18096 9265 1 13 . 1 1 68 68 PRO C C 68 176.652 176.652 177.840 -1.188 18096 9266 1 13 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.414 1.179 18096 9267 1 13 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.882 -1.530 18096 9268 1 13 . 1 1 69 69 SER N N 69 115.859 115.859 117.797 -1.938 18096 9269 1 13 . 1 1 69 69 SER HA H 69 4.436 4.436 4.061 0.375 18096 9270 1 13 . 1 1 69 69 SER C C 69 174.611 174.611 176.538 -1.927 18096 9271 1 13 . 1 1 69 69 SER CA C 69 58.264 58.264 61.499 -3.235 18096 9272 1 13 . 1 1 69 69 SER CB C 69 63.919 63.919 62.719 1.200 18096 9273 1 13 . 1 1 69 69 SER H H 69 8.256 8.256 8.838 -0.582 18096 9274 1 13 . 1 1 70 70 VAL N N 70 117.241 117.241 121.550 -4.309 18096 9275 1 13 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.073 -0.271 18096 9276 1 13 . 1 1 70 70 VAL C C 70 177.772 177.772 178.116 -0.344 18096 9277 1 13 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.070 1.574 18096 9278 1 13 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.108 0.788 18096 9279 1 13 . 1 1 70 70 VAL H H 70 8.211 8.211 8.426 -0.215 18096 9280 1 13 . 1 1 71 71 GLY N N 71 106.999 106.999 107.015 -0.016 18096 9281 1 13 . 1 1 71 71 GLY C C 71 175.551 175.551 175.749 -0.198 18096 9282 1 13 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.464 0.781 18096 9283 1 13 . 1 1 71 71 GLY H H 71 8.566 8.566 7.314 1.252 18096 9284 1 13 . 1 1 72 72 GLU N N 72 121.376 121.376 123.980 -2.604 18096 9285 1 13 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.856 0.033 18096 9286 1 13 . 1 1 72 72 GLU C C 72 178.495 178.495 178.904 -0.409 18096 9287 1 13 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.777 0.341 18096 9288 1 13 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.596 -0.006 18096 9289 1 13 . 1 1 72 72 GLU H H 72 7.919 7.919 8.073 -0.154 18096 9290 1 13 . 1 1 73 73 TYR N N 73 117.643 117.643 116.561 1.082 18096 9291 1 13 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.255 -0.193 18096 9292 1 13 . 1 1 73 73 TYR C C 73 179.921 179.921 178.343 1.578 18096 9293 1 13 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.992 1.138 18096 9294 1 13 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.966 0.951 18096 9295 1 13 . 1 1 73 73 TYR H H 73 8.095 8.095 7.704 0.391 18096 9296 1 13 . 1 1 74 74 LEU N N 74 121.712 121.712 121.258 0.454 18096 9297 1 13 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.015 0.048 18096 9298 1 13 . 1 1 74 74 LEU C C 74 178.385 178.385 178.487 -0.102 18096 9299 1 13 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.558 0.916 18096 9300 1 13 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.826 0.112 18096 9301 1 13 . 1 1 74 74 LEU H H 74 8.615 8.615 7.579 1.036 18096 9302 1 13 . 1 1 75 75 MET N N 75 119.087 119.087 119.522 -0.435 18096 9303 1 13 . 1 1 75 75 MET HA H 75 4.056 4.056 4.042 0.014 18096 9304 1 13 . 1 1 75 75 MET C C 75 177.851 177.851 178.148 -0.297 18096 9305 1 13 . 1 1 75 75 MET CA C 75 59.166 59.166 59.356 -0.190 18096 9306 1 13 . 1 1 75 75 MET CB C 75 32.093 32.093 32.435 -0.342 18096 9307 1 13 . 1 1 75 75 MET H H 75 8.362 8.362 8.553 -0.191 18096 9308 1 13 . 1 1 76 76 PHE N N 76 117.788 117.788 118.065 -0.277 18096 9309 1 13 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.244 -0.139 18096 9310 1 13 . 1 1 76 76 PHE C C 76 177.305 177.305 177.146 0.159 18096 9311 1 13 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.043 0.333 18096 9312 1 13 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.951 0.010 18096 9313 1 13 . 1 1 76 76 PHE H H 76 8.471 8.471 7.862 0.609 18096 9314 1 13 . 1 1 77 77 THR N N 77 115.298 115.298 116.068 -0.770 18096 9315 1 13 . 1 1 77 77 THR HA H 77 3.673 3.673 3.936 -0.263 18096 9316 1 13 . 1 1 77 77 THR C C 77 176.057 176.057 176.307 -0.250 18096 9317 1 13 . 1 1 77 77 THR CA C 77 68.423 68.423 66.260 2.163 18096 9318 1 13 . 1 1 77 77 THR CB C 77 68.204 68.204 68.610 -0.406 18096 9319 1 13 . 1 1 77 77 THR H H 77 8.179 8.179 7.766 0.413 18096 9320 1 13 . 1 1 78 78 MET N N 78 119.204 119.204 120.976 -1.772 18096 9321 1 13 . 1 1 78 78 MET HA H 78 4.092 4.092 4.255 -0.163 18096 9322 1 13 . 1 1 78 78 MET C C 78 179.421 179.421 178.387 1.034 18096 9323 1 13 . 1 1 78 78 MET CA C 78 58.810 58.810 58.719 0.091 18096 9324 1 13 . 1 1 78 78 MET CB C 78 32.176 32.176 32.192 -0.016 18096 9325 1 13 . 1 1 78 78 MET H H 78 8.310 8.310 8.254 0.056 18096 9326 1 13 . 1 1 79 79 VAL N N 79 122.115 122.115 116.072 6.043 18096 9327 1 13 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.768 -0.276 18096 9328 1 13 . 1 1 79 79 VAL C C 79 176.866 176.866 178.102 -1.236 18096 9329 1 13 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.600 1.774 18096 9330 1 13 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.294 0.321 18096 9331 1 13 . 1 1 79 79 VAL H H 79 8.239 8.239 7.623 0.616 18096 9332 1 13 . 1 1 80 80 LEU N N 80 120.240 120.240 121.334 -1.094 18096 9333 1 13 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.981 -0.042 18096 9334 1 13 . 1 1 80 80 LEU C C 80 180.078 180.078 178.968 1.110 18096 9335 1 13 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.454 1.143 18096 9336 1 13 . 1 1 80 80 LEU CB C 80 41.941 41.941 40.783 1.158 18096 9337 1 13 . 1 1 80 80 LEU H H 80 8.058 8.058 7.252 0.806 18096 9338 1 13 . 1 1 81 81 VAL N N 81 120.008 120.008 118.377 1.631 18096 9339 1 13 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.752 -0.294 18096 9340 1 13 . 1 1 81 81 VAL C C 81 177.670 177.670 177.886 -0.216 18096 9341 1 13 . 1 1 81 81 VAL CA C 81 67.337 67.337 66.154 1.183 18096 9342 1 13 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.592 0.023 18096 9343 1 13 . 1 1 81 81 VAL H H 81 8.800 8.800 8.408 0.392 18096 9344 1 13 . 1 1 82 82 THR N N 82 116.872 116.872 117.608 -0.736 18096 9345 1 13 . 1 1 82 82 THR HA H 82 3.676 3.676 4.100 -0.424 18096 9346 1 13 . 1 1 82 82 THR C C 82 176.268 176.268 176.075 0.193 18096 9347 1 13 . 1 1 82 82 THR CA C 82 68.590 68.590 67.214 1.376 18096 9348 1 13 . 1 1 82 82 THR CB C 82 68.468 68.468 68.550 -0.082 18096 9349 1 13 . 1 1 82 82 THR H H 82 8.109 8.109 7.861 0.248 18096 9350 1 13 . 1 1 83 83 PHE N N 83 119.777 119.777 120.765 -0.988 18096 9351 1 13 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.272 -0.191 18096 9352 1 13 . 1 1 83 83 PHE C C 83 178.015 178.015 177.617 0.398 18096 9353 1 13 . 1 1 83 83 PHE CA C 83 61.612 61.612 62.018 -0.406 18096 9354 1 13 . 1 1 83 83 PHE CB C 83 38.686 38.686 39.110 -0.424 18096 9355 1 13 . 1 1 83 83 PHE H H 83 8.754 8.754 7.884 0.870 18096 9356 1 13 . 1 1 84 84 SER N N 84 117.769 117.769 114.973 2.796 18096 9357 1 13 . 1 1 84 84 SER HA H 84 4.091 4.091 4.153 -0.062 18096 9358 1 13 . 1 1 84 84 SER C C 84 175.899 175.899 176.544 -0.645 18096 9359 1 13 . 1 1 84 84 SER CA C 84 63.269 63.269 61.849 1.420 18096 9360 1 13 . 1 1 84 84 SER CB C 84 62.962 62.962 63.358 -0.396 18096 9361 1 13 . 1 1 84 84 SER H H 84 8.335 8.335 8.023 0.312 18096 9362 1 13 . 1 1 85 85 ILE N N 85 122.986 122.986 121.994 0.992 18096 9363 1 13 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.793 -0.144 18096 9364 1 13 . 1 1 85 85 ILE C C 85 177.778 177.778 177.964 -0.186 18096 9365 1 13 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.587 0.917 18096 9366 1 13 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.165 0.950 18096 9367 1 13 . 1 1 85 85 ILE H H 85 8.187 8.187 7.642 0.545 18096 9368 1 13 . 1 1 86 86 VAL N N 86 117.289 117.289 119.631 -2.342 18096 9369 1 13 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.544 -0.035 18096 9370 1 13 . 1 1 86 86 VAL C C 86 177.816 177.816 178.455 -0.639 18096 9371 1 13 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.011 0.036 18096 9372 1 13 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.835 0.762 18096 9373 1 13 . 1 1 86 86 VAL H H 86 8.367 8.367 7.739 0.628 18096 9374 1 13 . 1 1 87 87 THR N N 87 116.788 116.788 115.678 1.110 18096 9375 1 13 . 1 1 87 87 THR HA H 87 3.758 3.758 3.937 -0.179 18096 9376 1 13 . 1 1 87 87 THR C C 87 176.095 176.095 176.795 -0.700 18096 9377 1 13 . 1 1 87 87 THR CA C 87 67.248 67.248 65.649 1.599 18096 9378 1 13 . 1 1 87 87 THR H H 87 8.007 8.007 7.750 0.257 18096 9379 1 13 . 1 1 88 88 SER N N 88 116.157 116.157 118.789 -2.632 18096 9380 1 13 . 1 1 88 88 SER HA H 88 4.018 4.018 4.101 -0.083 18096 9381 1 13 . 1 1 88 88 SER C C 88 174.932 174.932 176.356 -1.424 18096 9382 1 13 . 1 1 88 88 SER CA C 88 62.717 62.717 62.010 0.707 18096 9383 1 13 . 1 1 88 88 SER CB C 88 62.954 62.954 62.858 0.096 18096 9384 1 13 . 1 1 88 88 SER H H 88 7.662 7.662 7.702 -0.040 18096 9385 1 13 . 1 1 89 89 VAL N N 89 117.956 117.956 121.505 -3.549 18096 9386 1 13 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.822 -0.306 18096 9387 1 13 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.345 1.921 18096 9388 1 13 . 1 1 89 89 VAL H H 89 8.274 8.274 7.567 0.707 18096 9389 1 13 . 1 1 90 90 CYS N N 90 116.319 116.319 118.954 -2.635 18096 9390 1 13 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.066 0.163 18096 9391 1 13 . 1 1 90 90 CYS C C 90 175.174 175.174 176.567 -1.393 18096 9392 1 13 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.667 -0.049 18096 9393 1 13 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.468 -0.677 18096 9394 1 13 . 1 1 90 90 CYS H H 90 7.654 7.654 7.908 -0.254 18096 9395 1 13 . 1 1 91 91 VAL N N 91 115.534 115.534 117.692 -2.158 18096 9396 1 13 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.802 -0.176 18096 9397 1 13 . 1 1 91 91 VAL C C 91 176.038 176.038 178.029 -1.991 18096 9398 1 13 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.490 -1.883 18096 9399 1 13 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.685 0.237 18096 9400 1 13 . 1 1 91 91 VAL H H 91 7.760 7.760 7.514 0.246 18096 9401 1 13 . 1 1 92 92 LEU N N 92 119.713 119.713 119.614 0.099 18096 9402 1 13 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.047 0.193 18096 9403 1 13 . 1 1 92 92 LEU C C 92 176.769 176.769 177.383 -0.614 18096 9404 1 13 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.878 -1.288 18096 9405 1 13 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.015 -0.083 18096 9406 1 13 . 1 1 92 92 LEU H H 92 7.732 7.732 7.376 0.356 18096 9407 1 13 . 1 1 93 93 ASN N N 93 117.817 117.817 112.929 4.888 18096 9408 1 13 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.781 -0.105 18096 9409 1 13 . 1 1 93 93 ASN C C 93 174.955 174.955 173.298 1.657 18096 9410 1 13 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.646 0.609 18096 9411 1 13 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.629 -1.121 18096 9412 1 13 . 1 1 93 93 ASN H H 93 7.916 7.916 8.203 -0.287 18096 9413 1 13 . 1 1 94 94 VAL N N 94 118.650 118.650 122.459 -3.809 18096 9414 1 13 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.079 -0.055 18096 9415 1 13 . 1 1 94 94 VAL C C 94 175.740 175.740 174.623 1.117 18096 9416 1 13 . 1 1 94 94 VAL CA C 94 62.532 62.532 63.098 -0.566 18096 9417 1 13 . 1 1 94 94 VAL CB C 94 32.632 32.632 32.388 0.244 18096 9418 1 13 . 1 1 94 94 VAL H H 94 7.730 7.730 8.237 -0.507 18096 9419 1 13 . 1 1 95 95 HIS N N 95 121.293 121.293 126.523 -5.230 18096 9420 1 13 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.776 -0.157 18096 9421 1 13 . 1 1 95 95 HIS C C 95 174.146 174.146 174.119 0.027 18096 9422 1 13 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.578 0.004 18096 9423 1 13 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.005 -1.250 18096 9424 1 13 . 1 1 95 95 HIS H H 95 8.341 8.341 8.413 -0.072 18096 9425 1 13 . 1 1 96 96 HIS N N 96 122.728 122.728 124.738 -2.010 18096 9426 1 13 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.703 -0.068 18096 9427 1 13 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.600 -1.018 18096 9428 1 13 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.132 -0.359 18096 9429 1 13 . 1 1 96 96 HIS H H 96 8.333 8.333 8.543 -0.210 18096 9430 1 13 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.594 -0.299 18096 9431 1 13 . 1 1 97 97 ARG C C 97 175.776 175.776 174.835 0.941 18096 9432 1 13 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.501 0.729 18096 9433 1 13 . 1 1 97 97 ARG CB C 97 31.030 31.030 32.328 -1.298 18096 9434 1 13 . 1 1 98 98 SER N N 98 118.439 118.439 113.617 4.822 18096 9435 1 13 . 1 1 98 98 SER HA H 98 4.736 4.736 4.342 0.394 18096 9436 1 13 . 1 1 98 98 SER CA C 98 56.614 56.614 58.645 -2.031 18096 9437 1 13 . 1 1 98 98 SER CB C 98 63.622 63.622 63.598 0.024 18096 9438 1 13 . 1 1 98 98 SER H H 98 8.250 8.250 8.648 -0.398 18096 9439 1 13 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.497 -0.103 18096 9440 1 13 . 1 1 99 99 PRO C C 99 176.879 176.879 177.066 -0.187 18096 9441 1 13 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.727 -1.030 18096 9442 1 13 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.189 -0.143 18096 9443 1 13 . 1 1 100 100 GLU N N 100 120.297 120.297 118.303 1.994 18096 9444 1 13 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.585 -0.285 18096 9445 1 13 . 1 1 100 100 GLU C C 100 176.576 176.576 175.378 1.198 18096 9446 1 13 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.105 1.362 18096 9447 1 13 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.582 -1.639 18096 9448 1 13 . 1 1 100 100 GLU H H 100 8.391 8.391 7.956 0.435 18096 9449 1 13 . 1 1 101 101 THR N N 101 114.144 114.144 112.391 1.753 18096 9450 1 13 . 1 1 101 101 THR HA H 101 4.280 4.280 4.358 -0.078 18096 9451 1 13 . 1 1 101 101 THR C C 101 174.515 174.515 174.195 0.320 18096 9452 1 13 . 1 1 101 101 THR CA C 101 61.975 61.975 61.592 0.383 18096 9453 1 13 . 1 1 101 101 THR CB C 101 69.817 69.817 69.796 0.021 18096 9454 1 13 . 1 1 101 101 THR H H 101 7.946 7.946 8.172 -0.226 18096 9455 1 13 . 1 1 102 102 HIS N N 102 120.429 120.429 119.508 0.921 18096 9456 1 13 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.775 -0.025 18096 9457 1 13 . 1 1 102 102 HIS C C 102 174.764 174.764 175.131 -0.367 18096 9458 1 13 . 1 1 102 102 HIS CA C 102 55.685 55.685 56.593 -0.908 18096 9459 1 13 . 1 1 102 102 HIS CB C 102 29.245 29.245 31.106 -1.861 18096 9460 1 13 . 1 1 102 102 HIS H H 102 8.459 8.459 8.615 -0.156 18096 9461 1 13 . 1 1 103 103 THR N N 103 114.319 114.319 115.155 -0.836 18096 9462 1 13 . 1 1 103 103 THR HA H 103 4.345 4.345 4.637 -0.292 18096 9463 1 13 . 1 1 103 103 THR C C 103 175.087 175.087 175.531 -0.444 18096 9464 1 13 . 1 1 103 103 THR CA C 103 61.976 61.976 61.491 0.485 18096 9465 1 13 . 1 1 103 103 THR CB C 103 69.831 69.831 70.717 -0.886 18096 9466 1 13 . 1 1 103 103 THR H H 103 8.068 8.068 7.755 0.313 18096 9467 1 13 . 1 1 104 104 GLY N N 104 111.143 111.143 111.510 -0.367 18096 9468 1 13 . 1 1 104 104 GLY C C 104 174.757 174.757 174.976 -0.219 18096 9469 1 13 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.335 0.267 18096 9470 1 13 . 1 1 104 104 GLY H H 104 8.389 8.389 8.624 -0.235 18096 9471 1 13 . 1 1 105 105 GLY N N 105 108.642 108.642 107.992 0.650 18096 9472 1 13 . 1 1 105 105 GLY C C 105 174.892 174.892 173.300 1.592 18096 9473 1 13 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.276 1.326 18096 9474 1 13 . 1 1 105 105 GLY H H 105 8.272 8.272 7.972 0.300 18096 9475 1 13 . 1 1 106 106 GLY N N 106 108.820 108.820 107.112 1.708 18096 9476 1 13 . 1 1 106 106 GLY C C 106 174.886 174.886 174.051 0.835 18096 9477 1 13 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.718 0.884 18096 9478 1 13 . 1 1 106 106 GLY H H 106 8.359 8.359 8.330 0.029 18096 9479 1 13 . 1 1 107 107 GLY N N 107 108.550 108.550 106.535 2.015 18096 9480 1 13 . 1 1 107 107 GLY C C 107 174.886 174.886 175.097 -0.211 18096 9481 1 13 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.975 0.627 18096 9482 1 13 . 1 1 107 107 GLY H H 107 8.338 8.338 8.342 -0.004 18096 9483 1 13 . 1 1 108 108 GLY N N 108 108.519 108.519 110.878 -2.359 18096 9484 1 13 . 1 1 108 108 GLY C C 108 175.411 175.411 175.875 -0.464 18096 9485 1 13 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.804 1.003 18096 9486 1 13 . 1 1 108 108 GLY H H 108 8.336 8.336 8.420 -0.084 18096 9487 1 13 . 1 1 109 109 ILE N N 109 120.914 120.914 122.252 -1.338 18096 9488 1 13 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.764 0.212 18096 9489 1 13 . 1 1 109 109 ILE C C 109 176.019 176.019 175.669 0.350 18096 9490 1 13 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.580 -1.653 18096 9491 1 13 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.677 0.396 18096 9492 1 13 . 1 1 109 109 ILE H H 109 8.233 8.233 7.761 0.472 18096 9493 1 13 . 1 1 110 110 ASP N N 110 121.149 121.149 121.188 -0.039 18096 9494 1 13 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.460 -0.208 18096 9495 1 13 . 1 1 110 110 ASP C C 110 177.648 177.648 178.506 -0.858 18096 9496 1 13 . 1 1 110 110 ASP CA C 110 56.801 56.801 58.119 -1.318 18096 9497 1 13 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.094 0.087 18096 9498 1 13 . 1 1 110 110 ASP H H 110 8.369 8.369 8.647 -0.278 18096 9499 1 13 . 1 1 111 111 ARG N N 111 119.198 119.198 120.014 -0.816 18096 9500 1 13 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.220 -0.231 18096 9501 1 13 . 1 1 111 111 ARG C C 111 177.502 177.502 178.768 -1.266 18096 9502 1 13 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.580 0.140 18096 9503 1 13 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.840 0.264 18096 9504 1 13 . 1 1 111 111 ARG H H 111 7.835 7.835 8.370 -0.535 18096 9505 1 13 . 1 1 112 112 LEU N N 112 118.935 118.935 120.251 -1.316 18096 9506 1 13 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.011 -0.008 18096 9507 1 13 . 1 1 112 112 LEU C C 112 178.356 178.356 178.410 -0.054 18096 9508 1 13 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.063 0.172 18096 9509 1 13 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.040 -0.297 18096 9510 1 13 . 1 1 112 112 LEU H H 112 7.783 7.783 7.834 -0.051 18096 9511 1 13 . 1 1 113 113 PHE N N 113 116.117 116.117 119.732 -3.615 18096 9512 1 13 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.200 -0.116 18096 9513 1 13 . 1 1 113 113 PHE C C 113 177.092 177.092 176.733 0.359 18096 9514 1 13 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.691 1.701 18096 9515 1 13 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.767 0.124 18096 9516 1 13 . 1 1 113 113 PHE H H 113 8.072 8.072 7.806 0.266 18096 9517 1 13 . 1 1 114 114 LEU N N 114 118.710 118.710 120.740 -2.030 18096 9518 1 13 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.346 0.655 18096 9519 1 13 . 1 1 114 114 LEU C C 114 178.210 178.210 178.388 -0.178 18096 9520 1 13 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.345 -0.836 18096 9521 1 13 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.719 0.065 18096 9522 1 13 . 1 1 114 114 LEU H H 114 7.881 7.881 7.628 0.253 18096 9523 1 13 . 1 1 115 115 TRP N N 115 117.801 117.801 120.365 -2.564 18096 9524 1 13 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.435 -0.153 18096 9525 1 13 . 1 1 115 115 TRP C C 115 178.536 178.536 178.557 -0.021 18096 9526 1 13 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.621 0.123 18096 9527 1 13 . 1 1 115 115 TRP CB C 115 29.125 29.125 30.161 -1.036 18096 9528 1 13 . 1 1 115 115 TRP H H 115 7.925 7.925 7.649 0.276 18096 9529 1 13 . 1 1 116 116 ILE N N 116 118.212 118.212 119.701 -1.489 18096 9530 1 13 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.711 -0.017 18096 9531 1 13 . 1 1 116 116 ILE C C 116 177.423 177.423 177.789 -0.366 18096 9532 1 13 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.215 0.772 18096 9533 1 13 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.778 0.373 18096 9534 1 13 . 1 1 116 116 ILE H H 116 8.355 8.355 8.527 -0.172 18096 9535 1 13 . 1 1 117 117 PHE N N 117 119.509 119.509 119.165 0.344 18096 9536 1 13 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.165 -0.071 18096 9537 1 13 . 1 1 117 117 PHE C C 117 177.389 177.389 177.324 0.065 18096 9538 1 13 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.183 0.762 18096 9539 1 13 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.842 0.097 18096 9540 1 13 . 1 1 117 117 PHE H H 117 8.419 8.419 7.459 0.960 18096 9541 1 13 . 1 1 118 118 VAL N N 118 118.927 118.927 118.813 0.114 18096 9542 1 13 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.468 0.042 18096 9543 1 13 . 1 1 118 118 VAL C C 118 177.452 177.452 178.243 -0.791 18096 9544 1 13 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.583 0.857 18096 9545 1 13 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.973 0.489 18096 9546 1 13 . 1 1 118 118 VAL H H 118 8.509 8.509 7.461 1.048 18096 9547 1 13 . 1 1 119 119 PHE N N 119 118.638 118.638 120.955 -2.317 18096 9548 1 13 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.165 -0.125 18096 9549 1 13 . 1 1 119 119 PHE C C 119 177.403 177.403 177.555 -0.152 18096 9550 1 13 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.649 -0.046 18096 9551 1 13 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.992 0.153 18096 9552 1 13 . 1 1 119 119 PHE H H 119 8.477 8.477 8.260 0.217 18096 9553 1 13 . 1 1 120 120 VAL N N 120 118.660 118.660 119.278 -0.618 18096 9554 1 13 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.853 -0.386 18096 9555 1 13 . 1 1 120 120 VAL C C 120 177.851 177.851 177.424 0.427 18096 9556 1 13 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.205 2.231 18096 9557 1 13 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.643 0.016 18096 9558 1 13 . 1 1 120 120 VAL H H 120 8.705 8.705 7.664 1.041 18096 9559 1 13 . 1 1 121 121 CYS N N 121 117.055 117.055 118.472 -1.417 18096 9560 1 13 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.124 -0.222 18096 9561 1 13 . 1 1 121 121 CYS C C 121 177.629 177.629 176.425 1.204 18096 9562 1 13 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.512 1.827 18096 9563 1 13 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.678 -0.889 18096 9564 1 13 . 1 1 121 121 CYS H H 121 7.981 7.981 8.169 -0.188 18096 9565 1 13 . 1 1 122 122 VAL N N 122 120.422 120.422 120.864 -0.442 18096 9566 1 13 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.548 -0.069 18096 9567 1 13 . 1 1 122 122 VAL C C 122 176.923 176.923 178.010 -1.087 18096 9568 1 13 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.675 0.586 18096 9569 1 13 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.080 1.046 18096 9570 1 13 . 1 1 122 122 VAL H H 122 8.487 8.487 8.028 0.459 18096 9571 1 13 . 1 1 123 123 PHE N N 123 117.927 117.927 120.460 -2.533 18096 9572 1 13 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.043 -0.009 18096 9573 1 13 . 1 1 123 123 PHE C C 123 178.151 178.151 177.343 0.808 18096 9574 1 13 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.636 0.458 18096 9575 1 13 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.338 0.299 18096 9576 1 13 . 1 1 123 123 PHE H H 123 8.630 8.630 8.613 0.017 18096 9577 1 13 . 1 1 124 124 GLY N N 124 106.539 106.539 105.870 0.669 18096 9578 1 13 . 1 1 124 124 GLY C C 124 174.290 174.290 175.819 -1.529 18096 9579 1 13 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.346 0.205 18096 9580 1 13 . 1 1 124 124 GLY H H 124 8.689 8.689 7.885 0.804 18096 9581 1 13 . 1 1 125 125 THR N N 125 117.059 117.059 119.108 -2.049 18096 9582 1 13 . 1 1 125 125 THR HA H 125 3.649 3.649 3.920 -0.271 18096 9583 1 13 . 1 1 125 125 THR C C 125 176.231 176.231 176.599 -0.368 18096 9584 1 13 . 1 1 125 125 THR CA C 125 67.989 67.989 66.942 1.047 18096 9585 1 13 . 1 1 125 125 THR H H 125 7.553 7.553 8.062 -0.509 18096 9586 1 13 . 1 1 126 126 ILE N N 126 119.538 119.538 120.950 -1.412 18096 9587 1 13 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.584 0.064 18096 9588 1 13 . 1 1 126 126 ILE C C 126 177.976 177.976 177.935 0.041 18096 9589 1 13 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.730 0.985 18096 9590 1 13 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.602 0.228 18096 9591 1 13 . 1 1 126 126 ILE H H 126 8.003 8.003 8.108 -0.105 18096 9592 1 13 . 1 1 127 127 GLY N N 127 105.404 105.404 107.425 -2.021 18096 9593 1 13 . 1 1 127 127 GLY C C 127 174.597 174.597 176.583 -1.986 18096 9594 1 13 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.902 0.667 18096 9595 1 13 . 1 1 127 127 GLY H H 127 8.438 8.438 7.879 0.559 18096 9596 1 13 . 1 1 128 128 MET N N 128 117.893 117.893 120.175 -2.282 18096 9597 1 13 . 1 1 128 128 MET HA H 128 4.153 4.153 4.245 -0.092 18096 9598 1 13 . 1 1 128 128 MET C C 128 177.815 177.815 177.968 -0.153 18096 9599 1 13 . 1 1 128 128 MET CA C 128 58.198 58.198 57.903 0.295 18096 9600 1 13 . 1 1 128 128 MET CB C 128 32.113 32.113 32.438 -0.325 18096 9601 1 13 . 1 1 128 128 MET H H 128 7.821 7.821 7.601 0.220 18096 9602 1 13 . 1 1 129 129 PHE N N 129 116.018 116.018 120.617 -4.599 18096 9603 1 13 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.225 -0.091 18096 9604 1 13 . 1 1 129 129 PHE C C 129 175.863 175.863 175.097 0.766 18096 9605 1 13 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.277 -0.462 18096 9606 1 13 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.134 -0.044 18096 9607 1 13 . 1 1 129 129 PHE H H 129 7.797 7.797 8.336 -0.539 18096 9608 1 13 . 1 1 130 130 LEU N N 130 115.806 115.806 116.989 -1.183 18096 9609 1 13 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.054 0.284 18096 9610 1 13 . 1 1 130 130 LEU C C 130 177.219 177.219 177.768 -0.549 18096 9611 1 13 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.673 -0.207 18096 9612 1 13 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.516 -0.092 18096 9613 1 13 . 1 1 130 130 LEU H H 130 7.745 7.745 7.258 0.487 18096 9614 1 13 . 1 1 131 131 GLN N N 131 118.630 118.630 119.223 -0.593 18096 9615 1 13 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.094 0.010 18096 9616 1 13 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.111 2.208 18096 9617 1 13 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.305 -0.484 18096 9618 1 13 . 1 1 131 131 GLN H H 131 7.808 7.808 7.382 0.426 18096 9619 1 13 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.363 0.010 18096 9620 1 13 . 1 1 132 132 PRO C C 132 177.739 177.739 177.191 0.548 18096 9621 1 13 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.293 3.090 18096 9622 1 13 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.172 -0.646 18096 9623 1 13 . 1 1 133 133 LEU N N 133 115.632 115.632 118.105 -2.473 18096 9624 1 13 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.116 -0.052 18096 9625 1 13 . 1 1 133 133 LEU C C 133 176.918 176.918 175.904 1.014 18096 9626 1 13 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.935 -0.534 18096 9627 1 13 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.418 -0.429 18096 9628 1 13 . 1 1 133 133 LEU H H 133 7.689 7.689 8.598 -0.909 18096 9629 1 13 . 1 1 134 134 PHE N N 134 114.807 114.807 114.215 0.592 18096 9630 1 13 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.383 0.146 18096 9631 1 13 . 1 1 134 134 PHE C C 134 175.245 175.245 174.614 0.631 18096 9632 1 13 . 1 1 134 134 PHE CA C 134 57.738 57.738 56.792 0.946 18096 9633 1 13 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.904 -1.295 18096 9634 1 13 . 1 1 134 134 PHE H H 134 7.679 7.679 7.327 0.352 18096 9635 1 13 . 1 1 135 135 GLN N N 135 118.318 118.318 119.960 -1.642 18096 9636 1 13 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.090 0.225 18096 9637 1 13 . 1 1 135 135 GLN C C 135 175.361 175.361 175.269 0.092 18096 9638 1 13 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.647 -1.540 18096 9639 1 13 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.191 0.675 18096 9640 1 13 . 1 1 135 135 GLN H H 135 7.651 7.651 8.757 -1.106 18096 9641 1 13 . 1 1 136 136 GLU N N 136 120.684 120.684 119.379 1.305 18096 9642 1 13 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.260 0.051 18096 9643 1 13 . 1 1 136 136 GLU C C 136 175.153 175.153 175.229 -0.076 18096 9644 1 13 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.352 -0.877 18096 9645 1 13 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.916 1.316 18096 9646 1 13 . 1 1 136 136 GLU H H 136 8.109 8.109 8.542 -0.433 18096 9647 1 14 . 1 1 3 3 ALA N N 3 124.656 124.656 127.356 -2.700 18096 9648 1 14 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.198 0.008 18096 9649 1 14 . 1 1 3 3 ALA C C 3 178.133 178.133 176.979 1.154 18096 9650 1 14 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.911 0.774 18096 9651 1 14 . 1 1 3 3 ALA CB C 3 19.083 19.083 18.825 0.258 18096 9652 1 14 . 1 1 3 3 ALA H H 3 8.402 8.402 8.624 -0.222 18096 9653 1 14 . 1 1 4 4 GLU N N 4 117.439 117.439 121.003 -3.564 18096 9654 1 14 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.497 -0.368 18096 9655 1 14 . 1 1 4 4 GLU C C 4 176.534 176.534 175.954 0.580 18096 9656 1 14 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.349 1.075 18096 9657 1 14 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.253 -0.369 18096 9658 1 14 . 1 1 4 4 GLU H H 4 8.219 8.219 8.806 -0.587 18096 9659 1 14 . 1 1 5 5 GLU N N 5 118.815 118.815 117.965 0.850 18096 9660 1 14 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.357 -0.146 18096 9661 1 14 . 1 1 5 5 GLU C C 5 176.604 176.604 177.007 -0.403 18096 9662 1 14 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.570 0.381 18096 9663 1 14 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.255 0.707 18096 9664 1 14 . 1 1 5 5 GLU H H 5 7.992 7.992 8.210 -0.218 18096 9665 1 14 . 1 1 6 6 GLU N N 6 121.446 121.446 122.598 -1.152 18096 9666 1 14 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.182 0.002 18096 9667 1 14 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.046 -2.625 18096 9668 1 14 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.129 0.854 18096 9669 1 14 . 1 1 6 6 GLU H H 6 8.148 8.148 8.770 -0.622 18096 9670 1 14 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.390 -0.127 18096 9671 1 14 . 1 1 7 7 PRO C C 7 178.717 178.717 178.583 0.134 18096 9672 1 14 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.222 0.308 18096 9673 1 14 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.350 -0.027 18096 9674 1 14 . 1 1 8 8 LEU N N 8 119.642 119.642 118.511 1.131 18096 9675 1 14 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.198 -0.246 18096 9676 1 14 . 1 1 8 8 LEU C C 8 177.905 177.905 177.573 0.332 18096 9677 1 14 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.014 0.917 18096 9678 1 14 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.788 -0.015 18096 9679 1 14 . 1 1 8 8 LEU H H 8 8.222 8.222 8.262 -0.040 18096 9680 1 14 . 1 1 9 9 PHE N N 9 118.625 118.625 119.863 -1.238 18096 9681 1 14 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.149 0.023 18096 9682 1 14 . 1 1 9 9 PHE C C 9 177.620 177.620 176.526 1.094 18096 9683 1 14 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.635 0.437 18096 9684 1 14 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.985 -0.147 18096 9685 1 14 . 1 1 9 9 PHE H H 9 8.071 8.071 7.639 0.432 18096 9686 1 14 . 1 1 10 10 TYR N N 10 117.829 117.829 120.102 -2.273 18096 9687 1 14 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.073 0.117 18096 9688 1 14 . 1 1 10 10 TYR C C 10 177.743 177.743 176.889 0.854 18096 9689 1 14 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.312 -0.103 18096 9690 1 14 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.812 -0.097 18096 9691 1 14 . 1 1 10 10 TYR H H 10 8.204 8.204 8.019 0.185 18096 9692 1 14 . 1 1 11 11 THR N N 11 115.545 115.545 114.387 1.158 18096 9693 1 14 . 1 1 11 11 THR HA H 11 3.875 3.875 3.238 0.637 18096 9694 1 14 . 1 1 11 11 THR C C 11 175.937 175.937 176.373 -0.436 18096 9695 1 14 . 1 1 11 11 THR CA C 11 67.187 67.187 65.434 1.753 18096 9696 1 14 . 1 1 11 11 THR CB C 11 68.579 68.579 68.546 0.034 18096 9697 1 14 . 1 1 11 11 THR H H 11 7.934 7.934 7.973 -0.039 18096 9698 1 14 . 1 1 12 12 ILE N N 12 120.096 120.096 120.336 -0.240 18096 9699 1 14 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.745 -0.063 18096 9700 1 14 . 1 1 12 12 ILE C C 12 175.863 175.863 177.202 -1.339 18096 9701 1 14 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.240 0.581 18096 9702 1 14 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.961 0.995 18096 9703 1 14 . 1 1 12 12 ILE H H 12 8.172 8.172 8.218 -0.046 18096 9704 1 14 . 1 1 13 13 ASN N N 13 114.444 114.444 118.137 -3.693 18096 9705 1 14 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.359 0.034 18096 9706 1 14 . 1 1 13 13 ASN C C 13 174.880 174.880 176.708 -1.828 18096 9707 1 14 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.361 -0.104 18096 9708 1 14 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.395 1.151 18096 9709 1 14 . 1 1 13 13 ASN H H 13 7.731 7.731 7.447 0.284 18096 9710 1 14 . 1 1 14 14 LEU N N 14 115.306 115.306 118.393 -3.087 18096 9711 1 14 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.924 0.422 18096 9712 1 14 . 1 1 14 14 LEU C C 14 177.427 177.427 177.470 -0.043 18096 9713 1 14 . 1 1 14 14 LEU CA C 14 56.370 56.370 55.964 0.406 18096 9714 1 14 . 1 1 14 14 LEU CB C 14 41.766 41.766 41.733 0.033 18096 9715 1 14 . 1 1 14 14 LEU H H 14 7.381 7.381 6.862 0.519 18096 9716 1 14 . 1 1 15 15 ILE N N 15 117.935 117.935 120.148 -2.213 18096 9717 1 14 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.642 -0.044 18096 9718 1 14 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.978 0.474 18096 9719 1 14 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.187 -0.506 18096 9720 1 14 . 1 1 15 15 ILE H H 15 8.135 8.135 7.271 0.864 18096 9721 1 14 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.309 -0.263 18096 9722 1 14 . 1 1 17 17 PRO C C 17 177.518 177.518 178.851 -1.333 18096 9723 1 14 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.747 0.898 18096 9724 1 14 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.962 0.003 18096 9725 1 14 . 1 1 18 18 CYS N N 18 113.411 113.411 118.205 -4.794 18096 9726 1 14 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.116 -0.165 18096 9727 1 14 . 1 1 18 18 CYS C C 18 177.617 177.617 177.277 0.340 18096 9728 1 14 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.431 1.057 18096 9729 1 14 . 1 1 18 18 CYS CB C 18 26.768 26.768 26.991 -0.223 18096 9730 1 14 . 1 1 18 18 CYS H H 18 7.338 7.338 7.668 -0.330 18096 9731 1 14 . 1 1 19 19 VAL N N 19 121.720 121.720 117.317 4.403 18096 9732 1 14 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.901 -0.380 18096 9733 1 14 . 1 1 19 19 VAL C C 19 178.069 178.069 177.860 0.209 18096 9734 1 14 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.300 1.764 18096 9735 1 14 . 1 1 19 19 VAL CB C 19 31.752 31.752 30.613 1.139 18096 9736 1 14 . 1 1 19 19 VAL H H 19 8.587 8.587 7.904 0.683 18096 9737 1 14 . 1 1 20 20 LEU N N 20 121.731 121.731 122.679 -0.948 18096 9738 1 14 . 1 1 20 20 LEU HA H 20 4.021 4.021 4.013 0.008 18096 9739 1 14 . 1 1 20 20 LEU C C 20 177.989 177.989 178.804 -0.815 18096 9740 1 14 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.138 0.511 18096 9741 1 14 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.765 0.169 18096 9742 1 14 . 1 1 20 20 LEU H H 20 8.344 8.344 7.685 0.659 18096 9743 1 14 . 1 1 21 21 ILE N N 21 117.403 117.403 118.071 -0.668 18096 9744 1 14 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.565 0.104 18096 9745 1 14 . 1 1 21 21 ILE C C 21 176.947 176.947 177.973 -1.026 18096 9746 1 14 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.519 -0.162 18096 9747 1 14 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.684 0.234 18096 9748 1 14 . 1 1 21 21 ILE H H 21 8.371 8.371 8.507 -0.136 18096 9749 1 14 . 1 1 22 22 THR N N 22 115.544 115.544 116.706 -1.162 18096 9750 1 14 . 1 1 22 22 THR HA H 22 3.681 3.681 3.857 -0.176 18096 9751 1 14 . 1 1 22 22 THR C C 22 176.073 176.073 176.535 -0.462 18096 9752 1 14 . 1 1 22 22 THR CA C 22 68.152 68.152 67.186 0.966 18096 9753 1 14 . 1 1 22 22 THR CB C 22 68.428 68.428 68.352 0.076 18096 9754 1 14 . 1 1 22 22 THR H H 22 7.829 7.829 7.554 0.275 18096 9755 1 14 . 1 1 23 23 SER N N 23 116.192 116.192 117.689 -1.497 18096 9756 1 14 . 1 1 23 23 SER HA H 23 4.023 4.023 4.017 0.006 18096 9757 1 14 . 1 1 23 23 SER C C 23 175.279 175.279 176.757 -1.478 18096 9758 1 14 . 1 1 23 23 SER CA C 23 63.884 63.884 61.561 2.323 18096 9759 1 14 . 1 1 23 23 SER CB C 23 62.971 62.971 62.802 0.169 18096 9760 1 14 . 1 1 23 23 SER H H 23 8.069 8.069 7.843 0.226 18096 9761 1 14 . 1 1 24 24 LEU N N 24 120.855 120.855 122.510 -1.655 18096 9762 1 14 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.146 -0.165 18096 9763 1 14 . 1 1 24 24 LEU C C 24 177.542 177.542 179.254 -1.712 18096 9764 1 14 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.493 0.543 18096 9765 1 14 . 1 1 24 24 LEU CB C 24 41.941 41.941 40.928 1.013 18096 9766 1 14 . 1 1 24 24 LEU H H 24 7.858 7.858 7.497 0.361 18096 9767 1 14 . 1 1 25 25 ALA N N 25 119.507 119.507 121.674 -2.167 18096 9768 1 14 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.192 -0.252 18096 9769 1 14 . 1 1 25 25 ALA C C 25 177.915 177.915 179.799 -1.884 18096 9770 1 14 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.886 0.726 18096 9771 1 14 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.642 -0.391 18096 9772 1 14 . 1 1 25 25 ALA H H 25 8.141 8.141 7.903 0.238 18096 9773 1 14 . 1 1 26 26 ILE N N 26 115.689 115.689 119.241 -3.552 18096 9774 1 14 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.643 0.155 18096 9775 1 14 . 1 1 26 26 ILE C C 26 177.729 177.729 177.713 0.016 18096 9776 1 14 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.464 -0.124 18096 9777 1 14 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.190 -0.360 18096 9778 1 14 . 1 1 26 26 ILE H H 26 8.012 8.012 8.071 -0.059 18096 9779 1 14 . 1 1 27 27 LEU N N 27 118.567 118.567 119.462 -0.895 18096 9780 1 14 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.010 -0.004 18096 9781 1 14 . 1 1 27 27 LEU C C 27 178.364 178.364 179.117 -0.753 18096 9782 1 14 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.084 0.653 18096 9783 1 14 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.429 0.408 18096 9784 1 14 . 1 1 27 27 LEU H H 27 8.045 8.045 8.396 -0.351 18096 9785 1 14 . 1 1 28 28 VAL N N 28 113.720 113.720 118.875 -5.155 18096 9786 1 14 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.833 -0.258 18096 9787 1 14 . 1 1 28 28 VAL C C 28 177.809 177.809 177.593 0.216 18096 9788 1 14 . 1 1 28 28 VAL CA C 28 66.013 66.013 65.998 0.016 18096 9789 1 14 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.873 0.177 18096 9790 1 14 . 1 1 28 28 VAL H H 28 8.008 8.008 7.574 0.434 18096 9791 1 14 . 1 1 29 29 PHE N N 29 115.458 115.458 115.541 -0.083 18096 9792 1 14 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.309 -0.100 18096 9793 1 14 . 1 1 29 29 PHE C C 29 176.366 176.366 177.705 -1.339 18096 9794 1 14 . 1 1 29 29 PHE CA C 29 60.858 60.858 60.508 0.350 18096 9795 1 14 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.903 0.694 18096 9796 1 14 . 1 1 29 29 PHE H H 29 7.915 7.915 7.887 0.028 18096 9797 1 14 . 1 1 30 30 TYR N N 30 115.649 115.649 117.850 -2.201 18096 9798 1 14 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.391 -0.150 18096 9799 1 14 . 1 1 30 30 TYR C C 30 175.388 175.388 176.338 -0.950 18096 9800 1 14 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.384 -0.998 18096 9801 1 14 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.484 0.156 18096 9802 1 14 . 1 1 30 30 TYR H H 30 8.002 8.002 7.577 0.425 18096 9803 1 14 . 1 1 31 31 LEU N N 31 121.144 121.144 119.259 1.885 18096 9804 1 14 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.531 -0.083 18096 9805 1 14 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.788 1.361 18096 9806 1 14 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.514 -0.178 18096 9807 1 14 . 1 1 31 31 LEU H H 31 7.514 7.514 7.625 -0.111 18096 9808 1 14 . 1 1 32 32 PRO C C 32 176.530 176.530 175.847 0.683 18096 9809 1 14 . 1 1 33 33 SER N N 33 115.448 115.448 116.010 -0.562 18096 9810 1 14 . 1 1 33 33 SER HA H 33 4.317 4.317 4.428 -0.111 18096 9811 1 14 . 1 1 33 33 SER C C 33 174.174 174.174 174.385 -0.211 18096 9812 1 14 . 1 1 33 33 SER CA C 33 59.954 59.954 57.543 2.411 18096 9813 1 14 . 1 1 33 33 SER H H 33 8.370 8.370 8.263 0.107 18096 9814 1 14 . 1 1 34 34 ASP N N 34 119.694 119.694 124.255 -4.561 18096 9815 1 14 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.660 -0.075 18096 9816 1 14 . 1 1 34 34 ASP C C 34 175.971 175.971 175.712 0.259 18096 9817 1 14 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.393 -0.951 18096 9818 1 14 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.192 0.048 18096 9819 1 14 . 1 1 34 34 ASP H H 34 8.209 8.209 8.760 -0.551 18096 9820 1 14 . 1 1 35 35 CYS N N 35 114.872 114.872 120.164 -5.292 18096 9821 1 14 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.903 -0.700 18096 9822 1 14 . 1 1 35 35 CYS C C 35 175.147 175.147 175.088 0.059 18096 9823 1 14 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.499 1.622 18096 9824 1 14 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.905 -1.019 18096 9825 1 14 . 1 1 35 35 CYS H H 35 7.750 7.750 8.201 -0.451 18096 9826 1 14 . 1 1 36 36 GLY N N 36 110.059 110.059 110.186 -0.127 18096 9827 1 14 . 1 1 36 36 GLY C C 36 174.391 174.391 174.563 -0.172 18096 9828 1 14 . 1 1 36 36 GLY CA C 36 46.287 46.287 44.841 1.446 18096 9829 1 14 . 1 1 36 36 GLY H H 36 8.357 8.357 8.024 0.333 18096 9830 1 14 . 1 1 37 37 GLU N N 37 121.785 121.785 120.593 1.192 18096 9831 1 14 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.033 0.033 18096 9832 1 14 . 1 1 37 37 GLU C C 37 176.536 176.536 178.188 -1.652 18096 9833 1 14 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.400 -0.874 18096 9834 1 14 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.732 -0.002 18096 9835 1 14 . 1 1 37 37 GLU H H 37 8.359 8.359 8.455 -0.096 18096 9836 1 14 . 1 1 38 38 LYS N N 38 123.927 123.927 119.053 4.874 18096 9837 1 14 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.137 -0.014 18096 9838 1 14 . 1 1 38 38 LYS C C 38 177.544 177.544 179.168 -1.624 18096 9839 1 14 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.713 -0.144 18096 9840 1 14 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.972 -0.295 18096 9841 1 14 . 1 1 38 38 LYS H H 38 8.226 8.226 8.028 0.198 18096 9842 1 14 . 1 1 39 39 MET N N 39 117.932 117.932 118.386 -0.454 18096 9843 1 14 . 1 1 39 39 MET HA H 39 4.135 4.135 4.279 -0.144 18096 9844 1 14 . 1 1 39 39 MET C C 39 178.602 178.602 178.073 0.529 18096 9845 1 14 . 1 1 39 39 MET CA C 39 58.851 58.851 58.943 -0.092 18096 9846 1 14 . 1 1 39 39 MET CB C 39 32.220 32.220 32.718 -0.498 18096 9847 1 14 . 1 1 39 39 MET H H 39 8.262 8.262 7.767 0.495 18096 9848 1 14 . 1 1 40 40 THR N N 40 117.201 117.201 114.724 2.477 18096 9849 1 14 . 1 1 40 40 THR HA H 40 3.673 3.673 3.972 -0.299 18096 9850 1 14 . 1 1 40 40 THR C C 40 175.927 175.927 176.957 -1.030 18096 9851 1 14 . 1 1 40 40 THR CA C 40 67.352 67.352 65.884 1.468 18096 9852 1 14 . 1 1 40 40 THR H H 40 8.341 8.341 7.981 0.360 18096 9853 1 14 . 1 1 41 41 LEU N N 41 120.040 120.040 122.702 -2.662 18096 9854 1 14 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.316 -0.264 18096 9855 1 14 . 1 1 41 41 LEU C C 41 177.809 177.809 178.670 -0.861 18096 9856 1 14 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.303 1.084 18096 9857 1 14 . 1 1 41 41 LEU H H 41 8.181 8.181 7.712 0.469 18096 9858 1 14 . 1 1 42 42 CYS N N 42 117.556 117.556 119.570 -2.014 18096 9859 1 14 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.145 -0.193 18096 9860 1 14 . 1 1 42 42 CYS C C 42 176.460 176.460 177.027 -0.567 18096 9861 1 14 . 1 1 42 42 CYS CA C 42 64.496 64.496 62.573 1.923 18096 9862 1 14 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.817 0.016 18096 9863 1 14 . 1 1 42 42 CYS H H 42 7.949 7.949 7.641 0.308 18096 9864 1 14 . 1 1 43 43 ILE N N 43 117.336 117.336 116.787 0.549 18096 9865 1 14 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.881 -0.252 18096 9866 1 14 . 1 1 43 43 ILE C C 43 177.256 177.256 177.832 -0.576 18096 9867 1 14 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.426 0.649 18096 9868 1 14 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.494 0.450 18096 9869 1 14 . 1 1 43 43 ILE H H 43 8.347 8.347 7.593 0.754 18096 9870 1 14 . 1 1 44 44 SER N N 44 116.243 116.243 117.634 -1.391 18096 9871 1 14 . 1 1 44 44 SER HA H 44 4.083 4.083 4.253 -0.170 18096 9872 1 14 . 1 1 44 44 SER C C 44 176.305 176.305 176.704 -0.399 18096 9873 1 14 . 1 1 44 44 SER CA C 44 63.348 63.348 62.032 1.316 18096 9874 1 14 . 1 1 44 44 SER CB C 44 62.954 62.954 62.974 -0.020 18096 9875 1 14 . 1 1 44 44 SER H H 44 8.064 8.064 7.504 0.560 18096 9876 1 14 . 1 1 45 45 VAL N N 45 120.333 120.333 121.902 -1.569 18096 9877 1 14 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.656 -0.140 18096 9878 1 14 . 1 1 45 45 VAL C C 45 177.247 177.247 177.779 -0.532 18096 9879 1 14 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.904 0.034 18096 9880 1 14 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.785 -0.025 18096 9881 1 14 . 1 1 45 45 VAL H H 45 8.036 8.036 8.596 -0.560 18096 9882 1 14 . 1 1 46 46 LEU N N 46 119.430 119.430 119.365 0.065 18096 9883 1 14 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.155 -0.207 18096 9884 1 14 . 1 1 46 46 LEU C C 46 180.032 180.032 178.524 1.508 18096 9885 1 14 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.521 1.005 18096 9886 1 14 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.780 0.205 18096 9887 1 14 . 1 1 46 46 LEU H H 46 7.959 7.959 7.480 0.479 18096 9888 1 14 . 1 1 47 47 LEU N N 47 121.110 121.110 120.801 0.309 18096 9889 1 14 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.907 0.091 18096 9890 1 14 . 1 1 47 47 LEU C C 47 177.985 177.985 178.290 -0.305 18096 9891 1 14 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.250 0.189 18096 9892 1 14 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.523 0.523 18096 9893 1 14 . 1 1 47 47 LEU H H 47 8.695 8.695 7.348 1.347 18096 9894 1 14 . 1 1 48 48 ALA N N 48 121.251 121.251 121.192 0.059 18096 9895 1 14 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.971 -0.126 18096 9896 1 14 . 1 1 48 48 ALA C C 48 178.834 178.834 179.688 -0.854 18096 9897 1 14 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.172 0.537 18096 9898 1 14 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.166 -0.033 18096 9899 1 14 . 1 1 48 48 ALA H H 48 8.272 8.272 7.594 0.678 18096 9900 1 14 . 1 1 49 49 LEU N N 49 116.290 116.290 116.266 0.024 18096 9901 1 14 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.162 -0.165 18096 9902 1 14 . 1 1 49 49 LEU C C 49 178.068 178.068 178.933 -0.865 18096 9903 1 14 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.370 0.938 18096 9904 1 14 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.042 0.904 18096 9905 1 14 . 1 1 49 49 LEU H H 49 8.526 8.526 7.805 0.721 18096 9906 1 14 . 1 1 50 50 THR N N 50 115.495 115.495 115.528 -0.033 18096 9907 1 14 . 1 1 50 50 THR HA H 50 3.692 3.692 4.176 -0.484 18096 9908 1 14 . 1 1 50 50 THR C C 50 176.061 176.061 176.765 -0.704 18096 9909 1 14 . 1 1 50 50 THR CA C 50 68.786 68.786 66.002 2.784 18096 9910 1 14 . 1 1 50 50 THR H H 50 7.996 7.996 7.808 0.188 18096 9911 1 14 . 1 1 51 51 VAL N N 51 119.977 119.977 122.872 -2.895 18096 9912 1 14 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.549 -0.053 18096 9913 1 14 . 1 1 51 51 VAL C C 51 177.063 177.063 177.894 -0.831 18096 9914 1 14 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.826 0.537 18096 9915 1 14 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.131 0.487 18096 9916 1 14 . 1 1 51 51 VAL H H 51 8.145 8.145 7.623 0.522 18096 9917 1 14 . 1 1 52 52 PHE N N 52 118.836 118.836 117.314 1.522 18096 9918 1 14 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.287 -0.185 18096 9919 1 14 . 1 1 52 52 PHE C C 52 176.721 176.721 177.785 -1.064 18096 9920 1 14 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.093 -0.454 18096 9921 1 14 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.385 0.944 18096 9922 1 14 . 1 1 52 52 PHE H H 52 8.354 8.354 7.507 0.847 18096 9923 1 14 . 1 1 53 53 LEU N N 53 117.271 117.271 121.180 -3.909 18096 9924 1 14 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.050 -0.178 18096 9925 1 14 . 1 1 53 53 LEU C C 53 179.184 179.184 178.406 0.778 18096 9926 1 14 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.079 -0.222 18096 9927 1 14 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.786 0.209 18096 9928 1 14 . 1 1 53 53 LEU H H 53 8.438 8.438 7.736 0.702 18096 9929 1 14 . 1 1 54 54 LEU N N 54 119.310 119.310 118.934 0.376 18096 9930 1 14 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.210 -0.203 18096 9931 1 14 . 1 1 54 54 LEU C C 54 179.224 179.224 178.546 0.678 18096 9932 1 14 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.599 0.489 18096 9933 1 14 . 1 1 54 54 LEU CB C 54 42.029 42.029 42.016 0.013 18096 9934 1 14 . 1 1 54 54 LEU H H 54 8.147 8.147 8.102 0.045 18096 9935 1 14 . 1 1 55 55 LEU N N 55 118.400 118.400 121.386 -2.986 18096 9936 1 14 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.971 0.129 18096 9937 1 14 . 1 1 55 55 LEU C C 55 178.974 178.974 179.024 -0.050 18096 9938 1 14 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.685 -0.824 18096 9939 1 14 . 1 1 55 55 LEU CB C 55 41.972 41.972 41.548 0.424 18096 9940 1 14 . 1 1 55 55 LEU H H 55 8.096 8.096 7.651 0.445 18096 9941 1 14 . 1 1 56 56 ILE N N 56 115.919 115.919 115.539 0.380 18096 9942 1 14 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.142 -0.286 18096 9943 1 14 . 1 1 56 56 ILE C C 56 176.763 176.763 177.364 -0.601 18096 9944 1 14 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.091 0.420 18096 9945 1 14 . 1 1 56 56 ILE CB C 56 37.689 37.689 38.010 -0.321 18096 9946 1 14 . 1 1 56 56 ILE H H 56 8.028 8.028 7.852 0.176 18096 9947 1 14 . 1 1 57 57 SER N N 57 114.862 114.862 114.217 0.645 18096 9948 1 14 . 1 1 57 57 SER HA H 57 4.178 4.178 4.187 -0.009 18096 9949 1 14 . 1 1 57 57 SER C C 57 175.258 175.258 175.849 -0.591 18096 9950 1 14 . 1 1 57 57 SER CA C 57 60.946 60.946 60.907 0.039 18096 9951 1 14 . 1 1 57 57 SER CB C 57 63.558 63.558 63.228 0.330 18096 9952 1 14 . 1 1 57 57 SER H H 57 7.689 7.689 7.666 0.023 18096 9953 1 14 . 1 1 58 58 LYS N N 58 118.080 118.080 119.198 -1.118 18096 9954 1 14 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.370 -0.083 18096 9955 1 14 . 1 1 58 58 LYS C C 58 176.668 176.668 176.586 0.082 18096 9956 1 14 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.449 -1.342 18096 9957 1 14 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.301 -2.237 18096 9958 1 14 . 1 1 58 58 LYS H H 58 7.595 7.595 7.524 0.071 18096 9959 1 14 . 1 1 59 59 ILE N N 59 116.926 116.926 119.955 -3.029 18096 9960 1 14 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.325 -0.291 18096 9961 1 14 . 1 1 59 59 ILE C C 59 175.226 175.226 175.311 -0.085 18096 9962 1 14 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.602 3.782 18096 9963 1 14 . 1 1 59 59 ILE CB C 59 38.073 38.073 40.813 -2.740 18096 9964 1 14 . 1 1 59 59 ILE H H 59 7.706 7.706 7.540 0.166 18096 9965 1 14 . 1 1 60 60 VAL N N 60 119.235 119.235 122.890 -3.655 18096 9966 1 14 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.042 0.284 18096 9967 1 14 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.668 -0.921 18096 9968 1 14 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.869 1.397 18096 9969 1 14 . 1 1 60 60 VAL H H 60 7.586 7.586 8.308 -0.722 18096 9970 1 14 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.628 0.016 18096 9971 1 14 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.282 0.239 18096 9972 1 14 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.573 0.563 18096 9973 1 14 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.349 0.142 18096 9974 1 14 . 1 1 62 62 PRO C C 62 176.912 176.912 177.970 -1.058 18096 9975 1 14 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.544 -1.301 18096 9976 1 14 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.848 0.030 18096 9977 1 14 . 1 1 63 63 THR N N 63 111.607 111.607 112.701 -1.094 18096 9978 1 14 . 1 1 63 63 THR HA H 63 4.447 4.447 4.271 0.176 18096 9979 1 14 . 1 1 63 63 THR C C 63 174.725 174.725 175.149 -0.424 18096 9980 1 14 . 1 1 63 63 THR CA C 63 61.245 61.245 64.785 -3.541 18096 9981 1 14 . 1 1 63 63 THR CB C 63 69.807 69.807 68.879 0.928 18096 9982 1 14 . 1 1 63 63 THR H H 63 7.915 7.915 8.043 -0.128 18096 9983 1 14 . 1 1 64 64 SER N N 64 116.516 116.516 113.966 2.550 18096 9984 1 14 . 1 1 64 64 SER HA H 64 4.411 4.411 4.587 -0.176 18096 9985 1 14 . 1 1 64 64 SER C C 64 174.580 174.580 172.773 1.807 18096 9986 1 14 . 1 1 64 64 SER CA C 64 58.608 58.608 57.937 0.672 18096 9987 1 14 . 1 1 64 64 SER CB C 64 63.742 63.742 64.492 -0.750 18096 9988 1 14 . 1 1 64 64 SER H H 64 8.127 8.127 7.644 0.483 18096 9989 1 14 . 1 1 65 65 SER N N 65 116.921 116.921 117.372 -0.451 18096 9990 1 14 . 1 1 65 65 SER HA H 65 4.453 4.453 4.696 -0.243 18096 9991 1 14 . 1 1 65 65 SER C C 65 174.100 174.100 174.394 -0.294 18096 9992 1 14 . 1 1 65 65 SER CA C 65 58.584 58.584 59.143 -0.559 18096 9993 1 14 . 1 1 65 65 SER CB C 65 63.668 63.668 64.084 -0.416 18096 9994 1 14 . 1 1 65 65 SER H H 65 8.169 8.169 8.484 -0.315 18096 9995 1 14 . 1 1 66 66 ASP N N 66 120.478 120.478 120.506 -0.028 18096 9996 1 14 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.816 -0.192 18096 9997 1 14 . 1 1 66 66 ASP C C 66 175.730 175.730 175.633 0.097 18096 9998 1 14 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.730 -0.485 18096 9999 1 14 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.369 -0.174 18096 10000 1 14 . 1 1 66 66 ASP H H 66 8.154 8.154 8.372 -0.218 18096 10001 1 14 . 1 1 67 67 SER N N 67 115.159 115.159 114.207 0.952 18096 10002 1 14 . 1 1 67 67 SER HA H 67 4.528 4.528 4.662 -0.134 18096 10003 1 14 . 1 1 67 67 SER CA C 67 56.493 56.493 56.849 -0.356 18096 10004 1 14 . 1 1 67 67 SER CB C 67 63.604 63.604 63.788 -0.184 18096 10005 1 14 . 1 1 67 67 SER H H 67 7.930 7.930 7.692 0.238 18096 10006 1 14 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.507 -0.112 18096 10007 1 14 . 1 1 68 68 PRO C C 68 176.652 176.652 176.413 0.239 18096 10008 1 14 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.966 0.627 18096 10009 1 14 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.482 -1.130 18096 10010 1 14 . 1 1 69 69 SER N N 69 115.859 115.859 113.663 2.196 18096 10011 1 14 . 1 1 69 69 SER HA H 69 4.436 4.436 4.619 -0.183 18096 10012 1 14 . 1 1 69 69 SER C C 69 174.611 174.611 174.920 -0.309 18096 10013 1 14 . 1 1 69 69 SER CA C 69 58.264 58.264 58.790 -0.526 18096 10014 1 14 . 1 1 69 69 SER CB C 69 63.919 63.919 63.298 0.621 18096 10015 1 14 . 1 1 69 69 SER H H 69 8.256 8.256 8.483 -0.227 18096 10016 1 14 . 1 1 70 70 VAL N N 70 117.241 117.241 123.812 -6.571 18096 10017 1 14 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.137 -0.335 18096 10018 1 14 . 1 1 70 70 VAL C C 70 177.772 177.772 177.622 0.150 18096 10019 1 14 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.274 1.370 18096 10020 1 14 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.903 -0.007 18096 10021 1 14 . 1 1 70 70 VAL H H 70 8.211 8.211 8.370 -0.159 18096 10022 1 14 . 1 1 71 71 GLY N N 71 106.999 106.999 106.366 0.633 18096 10023 1 14 . 1 1 71 71 GLY C C 71 175.551 175.551 175.812 -0.261 18096 10024 1 14 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.516 0.729 18096 10025 1 14 . 1 1 71 71 GLY H H 71 8.566 8.566 8.580 -0.014 18096 10026 1 14 . 1 1 72 72 GLU N N 72 121.376 121.376 122.831 -1.455 18096 10027 1 14 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.710 0.179 18096 10028 1 14 . 1 1 72 72 GLU C C 72 178.495 178.495 178.860 -0.365 18096 10029 1 14 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.250 0.868 18096 10030 1 14 . 1 1 72 72 GLU CB C 72 29.590 29.590 28.954 0.636 18096 10031 1 14 . 1 1 72 72 GLU H H 72 7.919 7.919 7.540 0.379 18096 10032 1 14 . 1 1 73 73 TYR N N 73 117.643 117.643 118.111 -0.468 18096 10033 1 14 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.363 -0.301 18096 10034 1 14 . 1 1 73 73 TYR C C 73 179.921 179.921 178.357 1.564 18096 10035 1 14 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.492 0.638 18096 10036 1 14 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.963 0.954 18096 10037 1 14 . 1 1 73 73 TYR H H 73 8.095 8.095 7.257 0.838 18096 10038 1 14 . 1 1 74 74 LEU N N 74 121.712 121.712 119.860 1.852 18096 10039 1 14 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.011 0.052 18096 10040 1 14 . 1 1 74 74 LEU C C 74 178.385 178.385 179.345 -0.960 18096 10041 1 14 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.422 1.052 18096 10042 1 14 . 1 1 74 74 LEU CB C 74 41.938 41.938 40.909 1.029 18096 10043 1 14 . 1 1 74 74 LEU H H 74 8.615 8.615 7.717 0.898 18096 10044 1 14 . 1 1 75 75 MET N N 75 119.087 119.087 119.016 0.071 18096 10045 1 14 . 1 1 75 75 MET HA H 75 4.056 4.056 3.988 0.068 18096 10046 1 14 . 1 1 75 75 MET C C 75 177.851 177.851 178.092 -0.241 18096 10047 1 14 . 1 1 75 75 MET CA C 75 59.166 59.166 59.196 -0.030 18096 10048 1 14 . 1 1 75 75 MET CB C 75 32.093 32.093 32.001 0.092 18096 10049 1 14 . 1 1 75 75 MET H H 75 8.362 8.362 7.931 0.431 18096 10050 1 14 . 1 1 76 76 PHE N N 76 117.788 117.788 116.683 1.105 18096 10051 1 14 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.405 -0.300 18096 10052 1 14 . 1 1 76 76 PHE C C 76 177.305 177.305 177.850 -0.545 18096 10053 1 14 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.484 0.892 18096 10054 1 14 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.124 0.837 18096 10055 1 14 . 1 1 76 76 PHE H H 76 8.471 8.471 7.168 1.303 18096 10056 1 14 . 1 1 77 77 THR N N 77 115.298 115.298 116.895 -1.597 18096 10057 1 14 . 1 1 77 77 THR HA H 77 3.673 3.673 4.052 -0.379 18096 10058 1 14 . 1 1 77 77 THR C C 77 176.057 176.057 176.440 -0.383 18096 10059 1 14 . 1 1 77 77 THR CA C 77 68.423 68.423 67.357 1.066 18096 10060 1 14 . 1 1 77 77 THR CB C 77 68.204 68.204 68.722 -0.518 18096 10061 1 14 . 1 1 77 77 THR H H 77 8.179 8.179 8.895 -0.716 18096 10062 1 14 . 1 1 78 78 MET N N 78 119.204 119.204 120.546 -1.342 18096 10063 1 14 . 1 1 78 78 MET HA H 78 4.092 4.092 4.239 -0.147 18096 10064 1 14 . 1 1 78 78 MET C C 78 179.421 179.421 178.129 1.292 18096 10065 1 14 . 1 1 78 78 MET CA C 78 58.810 58.810 59.200 -0.390 18096 10066 1 14 . 1 1 78 78 MET CB C 78 32.176 32.176 32.096 0.080 18096 10067 1 14 . 1 1 78 78 MET H H 78 8.310 8.310 8.309 0.001 18096 10068 1 14 . 1 1 79 79 VAL N N 79 122.115 122.115 119.348 2.767 18096 10069 1 14 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.742 -0.250 18096 10070 1 14 . 1 1 79 79 VAL C C 79 176.866 176.866 178.364 -1.498 18096 10071 1 14 . 1 1 79 79 VAL CA C 79 67.374 67.374 67.074 0.300 18096 10072 1 14 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.154 0.461 18096 10073 1 14 . 1 1 79 79 VAL H H 79 8.239 8.239 7.659 0.580 18096 10074 1 14 . 1 1 80 80 LEU N N 80 120.240 120.240 120.324 -0.084 18096 10075 1 14 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.212 -0.273 18096 10076 1 14 . 1 1 80 80 LEU C C 80 180.078 180.078 178.712 1.366 18096 10077 1 14 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.287 0.310 18096 10078 1 14 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.245 -0.304 18096 10079 1 14 . 1 1 80 80 LEU H H 80 8.058 8.058 7.634 0.424 18096 10080 1 14 . 1 1 81 81 VAL N N 81 120.008 120.008 119.563 0.445 18096 10081 1 14 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.539 -0.081 18096 10082 1 14 . 1 1 81 81 VAL C C 81 177.670 177.670 178.147 -0.477 18096 10083 1 14 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.336 0.001 18096 10084 1 14 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.649 -0.034 18096 10085 1 14 . 1 1 81 81 VAL H H 81 8.800 8.800 8.541 0.259 18096 10086 1 14 . 1 1 82 82 THR N N 82 116.872 116.872 116.365 0.507 18096 10087 1 14 . 1 1 82 82 THR HA H 82 3.676 3.676 4.011 -0.335 18096 10088 1 14 . 1 1 82 82 THR C C 82 176.268 176.268 176.323 -0.055 18096 10089 1 14 . 1 1 82 82 THR CA C 82 68.590 68.590 67.130 1.460 18096 10090 1 14 . 1 1 82 82 THR CB C 82 68.468 68.468 68.796 -0.328 18096 10091 1 14 . 1 1 82 82 THR H H 82 8.109 8.109 8.549 -0.440 18096 10092 1 14 . 1 1 83 83 PHE N N 83 119.777 119.777 121.001 -1.224 18096 10093 1 14 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.288 -0.207 18096 10094 1 14 . 1 1 83 83 PHE C C 83 178.015 178.015 177.728 0.287 18096 10095 1 14 . 1 1 83 83 PHE CA C 83 61.612 61.612 60.770 0.842 18096 10096 1 14 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.815 -0.129 18096 10097 1 14 . 1 1 83 83 PHE H H 83 8.754 8.754 7.889 0.865 18096 10098 1 14 . 1 1 84 84 SER N N 84 117.769 117.769 115.050 2.719 18096 10099 1 14 . 1 1 84 84 SER HA H 84 4.091 4.091 4.309 -0.218 18096 10100 1 14 . 1 1 84 84 SER C C 84 175.899 175.899 176.401 -0.502 18096 10101 1 14 . 1 1 84 84 SER CA C 84 63.269 63.269 61.167 2.102 18096 10102 1 14 . 1 1 84 84 SER CB C 84 62.962 62.962 63.357 -0.395 18096 10103 1 14 . 1 1 84 84 SER H H 84 8.335 8.335 8.264 0.071 18096 10104 1 14 . 1 1 85 85 ILE N N 85 122.986 122.986 122.009 0.977 18096 10105 1 14 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.848 -0.199 18096 10106 1 14 . 1 1 85 85 ILE C C 85 177.778 177.778 177.527 0.251 18096 10107 1 14 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.699 1.805 18096 10108 1 14 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.102 1.013 18096 10109 1 14 . 1 1 85 85 ILE H H 85 8.187 8.187 7.664 0.523 18096 10110 1 14 . 1 1 86 86 VAL N N 86 117.289 117.289 119.438 -2.149 18096 10111 1 14 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.619 -0.110 18096 10112 1 14 . 1 1 86 86 VAL C C 86 177.816 177.816 178.479 -0.663 18096 10113 1 14 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.917 0.130 18096 10114 1 14 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.919 0.678 18096 10115 1 14 . 1 1 86 86 VAL H H 86 8.367 8.367 7.754 0.613 18096 10116 1 14 . 1 1 87 87 THR N N 87 116.788 116.788 112.377 4.411 18096 10117 1 14 . 1 1 87 87 THR HA H 87 3.758 3.758 3.799 -0.041 18096 10118 1 14 . 1 1 87 87 THR C C 87 176.095 176.095 176.841 -0.746 18096 10119 1 14 . 1 1 87 87 THR CA C 87 67.248 67.248 66.142 1.106 18096 10120 1 14 . 1 1 87 87 THR H H 87 8.007 8.007 7.741 0.266 18096 10121 1 14 . 1 1 88 88 SER N N 88 116.157 116.157 118.640 -2.483 18096 10122 1 14 . 1 1 88 88 SER HA H 88 4.018 4.018 4.344 -0.326 18096 10123 1 14 . 1 1 88 88 SER C C 88 174.932 174.932 176.481 -1.549 18096 10124 1 14 . 1 1 88 88 SER CA C 88 62.717 62.717 62.674 0.043 18096 10125 1 14 . 1 1 88 88 SER CB C 88 62.954 62.954 63.078 -0.124 18096 10126 1 14 . 1 1 88 88 SER H H 88 7.662 7.662 7.850 -0.188 18096 10127 1 14 . 1 1 89 89 VAL N N 89 117.956 117.956 117.923 0.033 18096 10128 1 14 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.966 -0.450 18096 10129 1 14 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.029 2.237 18096 10130 1 14 . 1 1 89 89 VAL H H 89 8.274 8.274 7.595 0.679 18096 10131 1 14 . 1 1 90 90 CYS N N 90 116.319 116.319 119.745 -3.426 18096 10132 1 14 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.124 0.105 18096 10133 1 14 . 1 1 90 90 CYS C C 90 175.174 175.174 176.481 -1.307 18096 10134 1 14 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.436 0.182 18096 10135 1 14 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.033 -0.242 18096 10136 1 14 . 1 1 90 90 CYS H H 90 7.654 7.654 7.489 0.165 18096 10137 1 14 . 1 1 91 91 VAL N N 91 115.534 115.534 118.934 -3.400 18096 10138 1 14 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.743 -0.117 18096 10139 1 14 . 1 1 91 91 VAL C C 91 176.038 176.038 178.159 -2.121 18096 10140 1 14 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.789 -2.181 18096 10141 1 14 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.781 0.141 18096 10142 1 14 . 1 1 91 91 VAL H H 91 7.760 7.760 7.544 0.216 18096 10143 1 14 . 1 1 92 92 LEU N N 92 119.713 119.713 118.786 0.927 18096 10144 1 14 . 1 1 92 92 LEU HA H 92 4.240 4.240 3.944 0.296 18096 10145 1 14 . 1 1 92 92 LEU C C 92 176.769 176.769 177.194 -0.425 18096 10146 1 14 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.327 -1.737 18096 10147 1 14 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.388 -0.456 18096 10148 1 14 . 1 1 92 92 LEU H H 92 7.732 7.732 7.430 0.302 18096 10149 1 14 . 1 1 93 93 ASN N N 93 117.817 117.817 115.497 2.320 18096 10150 1 14 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.727 -0.051 18096 10151 1 14 . 1 1 93 93 ASN C C 93 174.955 174.955 173.366 1.589 18096 10152 1 14 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.037 1.218 18096 10153 1 14 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.592 -1.084 18096 10154 1 14 . 1 1 93 93 ASN H H 93 7.916 7.916 8.045 -0.129 18096 10155 1 14 . 1 1 94 94 VAL N N 94 118.650 118.650 123.411 -4.761 18096 10156 1 14 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.066 -0.042 18096 10157 1 14 . 1 1 94 94 VAL C C 94 175.740 175.740 175.174 0.566 18096 10158 1 14 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.582 0.950 18096 10159 1 14 . 1 1 94 94 VAL CB C 94 32.632 32.632 32.919 -0.287 18096 10160 1 14 . 1 1 94 94 VAL H H 94 7.730 7.730 8.263 -0.533 18096 10161 1 14 . 1 1 95 95 HIS N N 95 121.293 121.293 124.817 -3.524 18096 10162 1 14 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.743 -0.124 18096 10163 1 14 . 1 1 95 95 HIS C C 95 174.146 174.146 174.886 -0.740 18096 10164 1 14 . 1 1 95 95 HIS CA C 95 55.582 55.582 54.931 0.651 18096 10165 1 14 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.305 -1.550 18096 10166 1 14 . 1 1 95 95 HIS H H 95 8.341 8.341 8.152 0.189 18096 10167 1 14 . 1 1 96 96 HIS N N 96 122.728 122.728 118.183 4.545 18096 10168 1 14 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.383 0.252 18096 10169 1 14 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.707 -1.125 18096 10170 1 14 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.175 -0.402 18096 10171 1 14 . 1 1 96 96 HIS H H 96 8.333 8.333 8.445 -0.112 18096 10172 1 14 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.591 -0.296 18096 10173 1 14 . 1 1 97 97 ARG C C 97 175.776 175.776 174.188 1.588 18096 10174 1 14 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.864 0.367 18096 10175 1 14 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.356 -0.326 18096 10176 1 14 . 1 1 98 98 SER N N 98 118.439 118.439 120.787 -2.348 18096 10177 1 14 . 1 1 98 98 SER HA H 98 4.736 4.736 5.050 -0.314 18096 10178 1 14 . 1 1 98 98 SER CA C 98 56.614 56.614 56.888 -0.274 18096 10179 1 14 . 1 1 98 98 SER CB C 98 63.622 63.622 65.490 -1.868 18096 10180 1 14 . 1 1 98 98 SER H H 98 8.250 8.250 8.532 -0.282 18096 10181 1 14 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.386 0.008 18096 10182 1 14 . 1 1 99 99 PRO C C 99 176.879 176.879 176.741 0.138 18096 10183 1 14 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.285 -0.588 18096 10184 1 14 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.131 -0.085 18096 10185 1 14 . 1 1 100 100 GLU N N 100 120.297 120.297 118.852 1.445 18096 10186 1 14 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.573 -0.274 18096 10187 1 14 . 1 1 100 100 GLU C C 100 176.576 176.576 175.193 1.383 18096 10188 1 14 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.844 0.623 18096 10189 1 14 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.825 -1.881 18096 10190 1 14 . 1 1 100 100 GLU H H 100 8.391 8.391 7.999 0.392 18096 10191 1 14 . 1 1 101 101 THR N N 101 114.144 114.144 113.515 0.629 18096 10192 1 14 . 1 1 101 101 THR HA H 101 4.280 4.280 4.738 -0.458 18096 10193 1 14 . 1 1 101 101 THR C C 101 174.515 174.515 174.665 -0.150 18096 10194 1 14 . 1 1 101 101 THR CA C 101 61.975 61.975 61.734 0.241 18096 10195 1 14 . 1 1 101 101 THR CB C 101 69.817 69.817 69.985 -0.168 18096 10196 1 14 . 1 1 101 101 THR H H 101 7.946 7.946 8.444 -0.498 18096 10197 1 14 . 1 1 102 102 HIS N N 102 120.429 120.429 120.278 0.151 18096 10198 1 14 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.681 0.069 18096 10199 1 14 . 1 1 102 102 HIS C C 102 174.764 174.764 174.374 0.390 18096 10200 1 14 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.505 0.180 18096 10201 1 14 . 1 1 102 102 HIS CB C 102 29.245 29.245 31.019 -1.774 18096 10202 1 14 . 1 1 102 102 HIS H H 102 8.459 8.459 8.549 -0.090 18096 10203 1 14 . 1 1 103 103 THR N N 103 114.319 114.319 114.322 -0.003 18096 10204 1 14 . 1 1 103 103 THR HA H 103 4.345 4.345 4.420 -0.075 18096 10205 1 14 . 1 1 103 103 THR C C 103 175.087 175.087 174.825 0.262 18096 10206 1 14 . 1 1 103 103 THR CA C 103 61.976 61.976 61.200 0.776 18096 10207 1 14 . 1 1 103 103 THR CB C 103 69.831 69.831 68.880 0.951 18096 10208 1 14 . 1 1 103 103 THR H H 103 8.068 8.068 7.862 0.206 18096 10209 1 14 . 1 1 104 104 GLY N N 104 111.143 111.143 115.534 -4.391 18096 10210 1 14 . 1 1 104 104 GLY C C 104 174.757 174.757 174.606 0.151 18096 10211 1 14 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.816 0.787 18096 10212 1 14 . 1 1 104 104 GLY H H 104 8.389 8.389 8.274 0.115 18096 10213 1 14 . 1 1 105 105 GLY N N 105 108.642 108.642 108.081 0.561 18096 10214 1 14 . 1 1 105 105 GLY C C 105 174.892 174.892 175.450 -0.558 18096 10215 1 14 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.072 0.530 18096 10216 1 14 . 1 1 105 105 GLY H H 105 8.272 8.272 8.616 -0.344 18096 10217 1 14 . 1 1 106 106 GLY N N 106 108.820 108.820 108.892 -0.072 18096 10218 1 14 . 1 1 106 106 GLY C C 106 174.886 174.886 175.019 -0.133 18096 10219 1 14 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.534 1.068 18096 10220 1 14 . 1 1 106 106 GLY H H 106 8.359 8.359 7.928 0.431 18096 10221 1 14 . 1 1 107 107 GLY N N 107 108.550 108.550 106.528 2.022 18096 10222 1 14 . 1 1 107 107 GLY C C 107 174.886 174.886 174.924 -0.038 18096 10223 1 14 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.638 0.964 18096 10224 1 14 . 1 1 107 107 GLY H H 107 8.338 8.338 8.215 0.123 18096 10225 1 14 . 1 1 108 108 GLY N N 108 108.519 108.519 107.190 1.329 18096 10226 1 14 . 1 1 108 108 GLY C C 108 175.411 175.411 175.317 0.094 18096 10227 1 14 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.980 0.827 18096 10228 1 14 . 1 1 108 108 GLY H H 108 8.336 8.336 8.189 0.147 18096 10229 1 14 . 1 1 109 109 ILE N N 109 120.914 120.914 121.508 -0.594 18096 10230 1 14 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.935 0.041 18096 10231 1 14 . 1 1 109 109 ILE C C 109 176.019 176.019 176.610 -0.591 18096 10232 1 14 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.125 -0.198 18096 10233 1 14 . 1 1 109 109 ILE CB C 109 38.073 38.073 38.124 -0.051 18096 10234 1 14 . 1 1 109 109 ILE H H 109 8.233 8.233 7.974 0.259 18096 10235 1 14 . 1 1 110 110 ASP N N 110 121.149 121.149 117.327 3.822 18096 10236 1 14 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.772 -0.520 18096 10237 1 14 . 1 1 110 110 ASP C C 110 177.648 177.648 178.892 -1.244 18096 10238 1 14 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.197 -0.396 18096 10239 1 14 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.498 -0.317 18096 10240 1 14 . 1 1 110 110 ASP H H 110 8.369 8.369 8.833 -0.464 18096 10241 1 14 . 1 1 111 111 ARG N N 111 119.198 119.198 120.096 -0.898 18096 10242 1 14 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.371 -0.382 18096 10243 1 14 . 1 1 111 111 ARG C C 111 177.502 177.502 178.971 -1.469 18096 10244 1 14 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.325 0.395 18096 10245 1 14 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.029 0.074 18096 10246 1 14 . 1 1 111 111 ARG H H 111 7.835 7.835 7.772 0.063 18096 10247 1 14 . 1 1 112 112 LEU N N 112 118.935 118.935 120.545 -1.610 18096 10248 1 14 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.379 -0.376 18096 10249 1 14 . 1 1 112 112 LEU C C 112 178.356 178.356 178.956 -0.600 18096 10250 1 14 . 1 1 112 112 LEU CA C 112 58.235 58.235 57.696 0.539 18096 10251 1 14 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.390 0.353 18096 10252 1 14 . 1 1 112 112 LEU H H 112 7.783 7.783 8.492 -0.709 18096 10253 1 14 . 1 1 113 113 PHE N N 113 116.117 116.117 120.735 -4.618 18096 10254 1 14 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.221 -0.137 18096 10255 1 14 . 1 1 113 113 PHE C C 113 177.092 177.092 177.570 -0.478 18096 10256 1 14 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.868 0.524 18096 10257 1 14 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.831 0.059 18096 10258 1 14 . 1 1 113 113 PHE H H 113 8.072 8.072 8.527 -0.455 18096 10259 1 14 . 1 1 114 114 LEU N N 114 118.710 118.710 119.899 -1.189 18096 10260 1 14 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.611 0.390 18096 10261 1 14 . 1 1 114 114 LEU C C 114 178.210 178.210 178.564 -0.354 18096 10262 1 14 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.017 -0.508 18096 10263 1 14 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.776 0.008 18096 10264 1 14 . 1 1 114 114 LEU H H 114 7.881 7.881 7.631 0.250 18096 10265 1 14 . 1 1 115 115 TRP N N 115 117.801 117.801 120.942 -3.141 18096 10266 1 14 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.325 -0.043 18096 10267 1 14 . 1 1 115 115 TRP C C 115 178.536 178.536 178.801 -0.265 18096 10268 1 14 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.636 0.108 18096 10269 1 14 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.609 -0.484 18096 10270 1 14 . 1 1 115 115 TRP H H 115 7.925 7.925 7.686 0.239 18096 10271 1 14 . 1 1 116 116 ILE N N 116 118.212 118.212 115.682 2.530 18096 10272 1 14 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.902 -0.208 18096 10273 1 14 . 1 1 116 116 ILE C C 116 177.423 177.423 177.738 -0.315 18096 10274 1 14 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.807 1.180 18096 10275 1 14 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.338 0.813 18096 10276 1 14 . 1 1 116 116 ILE H H 116 8.355 8.355 8.428 -0.073 18096 10277 1 14 . 1 1 117 117 PHE N N 117 119.509 119.509 122.170 -2.661 18096 10278 1 14 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.236 -0.142 18096 10279 1 14 . 1 1 117 117 PHE C C 117 177.389 177.389 176.530 0.859 18096 10280 1 14 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.477 1.468 18096 10281 1 14 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.012 -0.073 18096 10282 1 14 . 1 1 117 117 PHE H H 117 8.419 8.419 7.510 0.909 18096 10283 1 14 . 1 1 118 118 VAL N N 118 118.927 118.927 118.527 0.400 18096 10284 1 14 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.318 0.192 18096 10285 1 14 . 1 1 118 118 VAL C C 118 177.452 177.452 177.700 -0.248 18096 10286 1 14 . 1 1 118 118 VAL CA C 118 67.440 67.440 65.923 1.517 18096 10287 1 14 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.239 0.223 18096 10288 1 14 . 1 1 118 118 VAL H H 118 8.509 8.509 8.017 0.492 18096 10289 1 14 . 1 1 119 119 PHE N N 119 118.638 118.638 121.676 -3.038 18096 10290 1 14 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.283 -0.243 18096 10291 1 14 . 1 1 119 119 PHE C C 119 177.403 177.403 176.923 0.480 18096 10292 1 14 . 1 1 119 119 PHE CA C 119 62.603 62.603 60.831 1.772 18096 10293 1 14 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.150 -0.005 18096 10294 1 14 . 1 1 119 119 PHE H H 119 8.477 8.477 7.739 0.738 18096 10295 1 14 . 1 1 120 120 VAL N N 120 118.660 118.660 118.906 -0.246 18096 10296 1 14 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.232 0.235 18096 10297 1 14 . 1 1 120 120 VAL C C 120 177.851 177.851 177.465 0.386 18096 10298 1 14 . 1 1 120 120 VAL CA C 120 67.436 67.436 66.080 1.356 18096 10299 1 14 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.590 0.069 18096 10300 1 14 . 1 1 120 120 VAL H H 120 8.705 8.705 7.654 1.051 18096 10301 1 14 . 1 1 121 121 CYS N N 121 117.055 117.055 117.825 -0.770 18096 10302 1 14 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.997 -0.095 18096 10303 1 14 . 1 1 121 121 CYS C C 121 177.629 177.629 176.286 1.343 18096 10304 1 14 . 1 1 121 121 CYS CA C 121 64.339 64.339 63.727 0.612 18096 10305 1 14 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.664 0.125 18096 10306 1 14 . 1 1 121 121 CYS H H 121 7.981 7.981 7.361 0.620 18096 10307 1 14 . 1 1 122 122 VAL N N 122 120.422 120.422 121.828 -1.406 18096 10308 1 14 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.631 -0.152 18096 10309 1 14 . 1 1 122 122 VAL C C 122 176.923 176.923 178.528 -1.605 18096 10310 1 14 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.905 0.356 18096 10311 1 14 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.508 0.618 18096 10312 1 14 . 1 1 122 122 VAL H H 122 8.487 8.487 7.843 0.644 18096 10313 1 14 . 1 1 123 123 PHE N N 123 117.927 117.927 119.753 -1.826 18096 10314 1 14 . 1 1 123 123 PHE HA H 123 4.034 4.034 3.989 0.045 18096 10315 1 14 . 1 1 123 123 PHE C C 123 178.151 178.151 177.441 0.710 18096 10316 1 14 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.732 0.362 18096 10317 1 14 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.412 0.225 18096 10318 1 14 . 1 1 123 123 PHE H H 123 8.630 8.630 8.729 -0.099 18096 10319 1 14 . 1 1 124 124 GLY N N 124 106.539 106.539 105.765 0.774 18096 10320 1 14 . 1 1 124 124 GLY C C 124 174.290 174.290 175.714 -1.424 18096 10321 1 14 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.035 0.516 18096 10322 1 14 . 1 1 124 124 GLY H H 124 8.689 8.689 7.678 1.011 18096 10323 1 14 . 1 1 125 125 THR N N 125 117.059 117.059 117.200 -0.141 18096 10324 1 14 . 1 1 125 125 THR HA H 125 3.649 3.649 3.879 -0.230 18096 10325 1 14 . 1 1 125 125 THR C C 125 176.231 176.231 176.706 -0.475 18096 10326 1 14 . 1 1 125 125 THR CA C 125 67.989 67.989 66.113 1.876 18096 10327 1 14 . 1 1 125 125 THR H H 125 7.553 7.553 8.273 -0.720 18096 10328 1 14 . 1 1 126 126 ILE N N 126 119.538 119.538 121.569 -2.031 18096 10329 1 14 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.765 -0.117 18096 10330 1 14 . 1 1 126 126 ILE C C 126 177.976 177.976 178.537 -0.561 18096 10331 1 14 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.028 2.687 18096 10332 1 14 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.194 1.635 18096 10333 1 14 . 1 1 126 126 ILE H H 126 8.003 8.003 8.320 -0.317 18096 10334 1 14 . 1 1 127 127 GLY N N 127 105.404 105.404 107.937 -2.533 18096 10335 1 14 . 1 1 127 127 GLY C C 127 174.597 174.597 176.109 -1.512 18096 10336 1 14 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.836 0.733 18096 10337 1 14 . 1 1 127 127 GLY H H 127 8.438 8.438 7.753 0.685 18096 10338 1 14 . 1 1 128 128 MET N N 128 117.893 117.893 118.631 -0.738 18096 10339 1 14 . 1 1 128 128 MET HA H 128 4.153 4.153 4.410 -0.257 18096 10340 1 14 . 1 1 128 128 MET C C 128 177.815 177.815 178.138 -0.323 18096 10341 1 14 . 1 1 128 128 MET CA C 128 58.198 58.198 58.084 0.114 18096 10342 1 14 . 1 1 128 128 MET CB C 128 32.113 32.113 33.057 -0.944 18096 10343 1 14 . 1 1 128 128 MET H H 128 7.821 7.821 7.651 0.170 18096 10344 1 14 . 1 1 129 129 PHE N N 129 116.018 116.018 120.936 -4.918 18096 10345 1 14 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.240 -0.106 18096 10346 1 14 . 1 1 129 129 PHE C C 129 175.863 175.863 175.677 0.186 18096 10347 1 14 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.615 -0.800 18096 10348 1 14 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.205 -0.115 18096 10349 1 14 . 1 1 129 129 PHE H H 129 7.797 7.797 8.236 -0.439 18096 10350 1 14 . 1 1 130 130 LEU N N 130 115.806 115.806 117.331 -1.525 18096 10351 1 14 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.177 0.161 18096 10352 1 14 . 1 1 130 130 LEU C C 130 177.219 177.219 177.299 -0.080 18096 10353 1 14 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.529 0.938 18096 10354 1 14 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.853 0.571 18096 10355 1 14 . 1 1 130 130 LEU H H 130 7.745 7.745 7.457 0.288 18096 10356 1 14 . 1 1 131 131 GLN N N 131 118.630 118.630 119.683 -1.053 18096 10357 1 14 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.141 -0.037 18096 10358 1 14 . 1 1 131 131 GLN CA C 131 60.319 60.319 57.857 2.462 18096 10359 1 14 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.724 -0.903 18096 10360 1 14 . 1 1 131 131 GLN H H 131 7.808 7.808 7.388 0.420 18096 10361 1 14 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.376 -0.003 18096 10362 1 14 . 1 1 132 132 PRO C C 132 177.739 177.739 177.016 0.723 18096 10363 1 14 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.542 2.841 18096 10364 1 14 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.211 -0.685 18096 10365 1 14 . 1 1 133 133 LEU N N 133 115.632 115.632 118.073 -2.441 18096 10366 1 14 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.208 -0.144 18096 10367 1 14 . 1 1 133 133 LEU C C 133 176.918 176.918 176.586 0.332 18096 10368 1 14 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.620 -0.219 18096 10369 1 14 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.168 -0.179 18096 10370 1 14 . 1 1 133 133 LEU H H 133 7.689 7.689 8.226 -0.537 18096 10371 1 14 . 1 1 134 134 PHE N N 134 114.807 114.807 116.698 -1.891 18096 10372 1 14 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.565 -0.036 18096 10373 1 14 . 1 1 134 134 PHE C C 134 175.245 175.245 175.572 -0.327 18096 10374 1 14 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.747 -0.009 18096 10375 1 14 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.016 -0.407 18096 10376 1 14 . 1 1 134 134 PHE H H 134 7.679 7.679 7.578 0.101 18096 10377 1 14 . 1 1 135 135 GLN N N 135 118.318 118.318 122.102 -3.784 18096 10378 1 14 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.045 0.270 18096 10379 1 14 . 1 1 135 135 GLN C C 135 175.361 175.361 175.418 -0.057 18096 10380 1 14 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.513 -1.406 18096 10381 1 14 . 1 1 135 135 GLN CB C 135 29.866 29.866 28.849 1.016 18096 10382 1 14 . 1 1 135 135 GLN H H 135 7.651 7.651 8.850 -1.199 18096 10383 1 14 . 1 1 136 136 GLU N N 136 120.684 120.684 120.345 0.339 18096 10384 1 14 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.272 0.039 18096 10385 1 14 . 1 1 136 136 GLU C C 136 175.153 175.153 175.673 -0.520 18096 10386 1 14 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.659 -0.184 18096 10387 1 14 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.129 1.103 18096 10388 1 14 . 1 1 136 136 GLU H H 136 8.109 8.109 8.595 -0.486 18096 10389 1 15 . 1 1 3 3 ALA N N 3 124.656 124.656 124.260 0.396 18096 10390 1 15 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.510 -0.304 18096 10391 1 15 . 1 1 3 3 ALA C C 3 178.133 178.133 176.803 1.330 18096 10392 1 15 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.296 1.389 18096 10393 1 15 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.091 -1.008 18096 10394 1 15 . 1 1 3 3 ALA H H 3 8.402 8.402 7.726 0.676 18096 10395 1 15 . 1 1 4 4 GLU N N 4 117.439 117.439 121.430 -3.991 18096 10396 1 15 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.350 -0.221 18096 10397 1 15 . 1 1 4 4 GLU C C 4 176.534 176.534 176.345 0.189 18096 10398 1 15 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.810 0.614 18096 10399 1 15 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.158 -0.274 18096 10400 1 15 . 1 1 4 4 GLU H H 4 8.219 8.219 8.785 -0.566 18096 10401 1 15 . 1 1 5 5 GLU N N 5 118.815 118.815 117.640 1.175 18096 10402 1 15 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.413 -0.202 18096 10403 1 15 . 1 1 5 5 GLU C C 5 176.604 176.604 177.275 -0.671 18096 10404 1 15 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.706 0.245 18096 10405 1 15 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.711 0.251 18096 10406 1 15 . 1 1 5 5 GLU H H 5 7.992 7.992 8.287 -0.295 18096 10407 1 15 . 1 1 6 6 GLU N N 6 121.446 121.446 122.848 -1.402 18096 10408 1 15 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.244 -0.060 18096 10409 1 15 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.573 -3.152 18096 10410 1 15 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.113 0.871 18096 10411 1 15 . 1 1 6 6 GLU H H 6 8.148 8.148 8.496 -0.348 18096 10412 1 15 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.435 -0.172 18096 10413 1 15 . 1 1 7 7 PRO C C 7 178.717 178.717 178.805 -0.088 18096 10414 1 15 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.039 0.490 18096 10415 1 15 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.295 0.028 18096 10416 1 15 . 1 1 8 8 LEU N N 8 119.642 119.642 119.197 0.445 18096 10417 1 15 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.191 -0.239 18096 10418 1 15 . 1 1 8 8 LEU C C 8 177.905 177.905 178.396 -0.491 18096 10419 1 15 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.170 0.761 18096 10420 1 15 . 1 1 8 8 LEU CB C 8 41.773 41.773 40.869 0.904 18096 10421 1 15 . 1 1 8 8 LEU H H 8 8.222 8.222 8.139 0.083 18096 10422 1 15 . 1 1 9 9 PHE N N 9 118.625 118.625 118.009 0.616 18096 10423 1 15 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.198 -0.026 18096 10424 1 15 . 1 1 9 9 PHE C C 9 177.620 177.620 177.553 0.067 18096 10425 1 15 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.815 -0.743 18096 10426 1 15 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.825 0.013 18096 10427 1 15 . 1 1 9 9 PHE H H 9 8.071 8.071 7.845 0.226 18096 10428 1 15 . 1 1 10 10 TYR N N 10 117.829 117.829 120.150 -2.321 18096 10429 1 15 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.176 0.014 18096 10430 1 15 . 1 1 10 10 TYR C C 10 177.743 177.743 177.751 -0.008 18096 10431 1 15 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.269 -1.060 18096 10432 1 15 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.925 -0.209 18096 10433 1 15 . 1 1 10 10 TYR H H 10 8.204 8.204 7.933 0.271 18096 10434 1 15 . 1 1 11 11 THR N N 11 115.545 115.545 115.059 0.486 18096 10435 1 15 . 1 1 11 11 THR HA H 11 3.875 3.875 3.920 -0.045 18096 10436 1 15 . 1 1 11 11 THR C C 11 175.937 175.937 176.867 -0.930 18096 10437 1 15 . 1 1 11 11 THR CA C 11 67.187 67.187 65.955 1.232 18096 10438 1 15 . 1 1 11 11 THR CB C 11 68.579 68.579 68.375 0.204 18096 10439 1 15 . 1 1 11 11 THR H H 11 7.934 7.934 7.639 0.295 18096 10440 1 15 . 1 1 12 12 ILE N N 12 120.096 120.096 121.033 -0.937 18096 10441 1 15 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.593 0.089 18096 10442 1 15 . 1 1 12 12 ILE C C 12 175.863 175.863 177.605 -1.742 18096 10443 1 15 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.361 -0.540 18096 10444 1 15 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.479 0.477 18096 10445 1 15 . 1 1 12 12 ILE H H 12 8.172 8.172 7.615 0.557 18096 10446 1 15 . 1 1 13 13 ASN N N 13 114.444 114.444 117.344 -2.900 18096 10447 1 15 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.497 -0.104 18096 10448 1 15 . 1 1 13 13 ASN C C 13 174.880 174.880 176.483 -1.603 18096 10449 1 15 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.708 -0.451 18096 10450 1 15 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.724 0.822 18096 10451 1 15 . 1 1 13 13 ASN H H 13 7.731 7.731 7.601 0.130 18096 10452 1 15 . 1 1 14 14 LEU N N 14 115.306 115.306 119.085 -3.779 18096 10453 1 15 . 1 1 14 14 LEU HA H 14 4.346 4.346 3.994 0.352 18096 10454 1 15 . 1 1 14 14 LEU C C 14 177.427 177.427 177.483 -0.056 18096 10455 1 15 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.262 0.108 18096 10456 1 15 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.543 -0.777 18096 10457 1 15 . 1 1 14 14 LEU H H 14 7.381 7.381 7.432 -0.051 18096 10458 1 15 . 1 1 15 15 ILE N N 15 117.935 117.935 119.849 -1.914 18096 10459 1 15 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.608 -0.010 18096 10460 1 15 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.776 0.676 18096 10461 1 15 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.063 -0.382 18096 10462 1 15 . 1 1 15 15 ILE H H 15 8.135 8.135 7.367 0.768 18096 10463 1 15 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.336 -0.290 18096 10464 1 15 . 1 1 17 17 PRO C C 17 177.518 177.518 178.789 -1.271 18096 10465 1 15 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.491 1.154 18096 10466 1 15 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.827 0.139 18096 10467 1 15 . 1 1 18 18 CYS N N 18 113.411 113.411 118.151 -4.740 18096 10468 1 15 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.024 -0.073 18096 10469 1 15 . 1 1 18 18 CYS C C 18 177.617 177.617 176.848 0.769 18096 10470 1 15 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.188 1.300 18096 10471 1 15 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.407 -0.639 18096 10472 1 15 . 1 1 18 18 CYS H H 18 7.338 7.338 7.411 -0.073 18096 10473 1 15 . 1 1 19 19 VAL N N 19 121.720 121.720 118.171 3.549 18096 10474 1 15 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.810 -0.289 18096 10475 1 15 . 1 1 19 19 VAL C C 19 178.069 178.069 177.504 0.565 18096 10476 1 15 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.797 1.268 18096 10477 1 15 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.396 0.356 18096 10478 1 15 . 1 1 19 19 VAL H H 19 8.587 8.587 7.623 0.964 18096 10479 1 15 . 1 1 20 20 LEU N N 20 121.731 121.731 121.175 0.556 18096 10480 1 15 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.913 0.108 18096 10481 1 15 . 1 1 20 20 LEU C C 20 177.989 177.989 179.191 -1.202 18096 10482 1 15 . 1 1 20 20 LEU CA C 20 58.649 58.649 57.971 0.678 18096 10483 1 15 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.806 0.128 18096 10484 1 15 . 1 1 20 20 LEU H H 20 8.344 8.344 7.216 1.128 18096 10485 1 15 . 1 1 21 21 ILE N N 21 117.403 117.403 118.853 -1.450 18096 10486 1 15 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.598 0.071 18096 10487 1 15 . 1 1 21 21 ILE C C 21 176.947 176.947 177.938 -0.991 18096 10488 1 15 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.716 -0.360 18096 10489 1 15 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.816 0.101 18096 10490 1 15 . 1 1 21 21 ILE H H 21 8.371 8.371 8.537 -0.166 18096 10491 1 15 . 1 1 22 22 THR N N 22 115.544 115.544 116.610 -1.066 18096 10492 1 15 . 1 1 22 22 THR HA H 22 3.681 3.681 3.972 -0.291 18096 10493 1 15 . 1 1 22 22 THR C C 22 176.073 176.073 176.556 -0.483 18096 10494 1 15 . 1 1 22 22 THR CA C 22 68.152 68.152 67.150 1.002 18096 10495 1 15 . 1 1 22 22 THR CB C 22 68.428 68.428 68.567 -0.139 18096 10496 1 15 . 1 1 22 22 THR H H 22 7.829 7.829 7.640 0.189 18096 10497 1 15 . 1 1 23 23 SER N N 23 116.192 116.192 117.986 -1.794 18096 10498 1 15 . 1 1 23 23 SER HA H 23 4.023 4.023 4.106 -0.083 18096 10499 1 15 . 1 1 23 23 SER C C 23 175.279 175.279 176.643 -1.364 18096 10500 1 15 . 1 1 23 23 SER CA C 23 63.884 63.884 61.350 2.534 18096 10501 1 15 . 1 1 23 23 SER CB C 23 62.971 62.971 62.991 -0.020 18096 10502 1 15 . 1 1 23 23 SER H H 23 8.069 8.069 7.951 0.118 18096 10503 1 15 . 1 1 24 24 LEU N N 24 120.855 120.855 121.990 -1.135 18096 10504 1 15 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.052 -0.071 18096 10505 1 15 . 1 1 24 24 LEU C C 24 177.542 177.542 178.358 -0.816 18096 10506 1 15 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.698 0.338 18096 10507 1 15 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.755 0.187 18096 10508 1 15 . 1 1 24 24 LEU H H 24 7.858 7.858 7.571 0.287 18096 10509 1 15 . 1 1 25 25 ALA N N 25 119.507 119.507 121.682 -2.175 18096 10510 1 15 . 1 1 25 25 ALA HA H 25 3.940 3.940 3.983 -0.043 18096 10511 1 15 . 1 1 25 25 ALA C C 25 177.915 177.915 179.912 -1.997 18096 10512 1 15 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.934 0.678 18096 10513 1 15 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.114 0.137 18096 10514 1 15 . 1 1 25 25 ALA H H 25 8.141 8.141 7.426 0.715 18096 10515 1 15 . 1 1 26 26 ILE N N 26 115.689 115.689 119.361 -3.672 18096 10516 1 15 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.889 -0.091 18096 10517 1 15 . 1 1 26 26 ILE C C 26 177.729 177.729 177.957 -0.228 18096 10518 1 15 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.643 -0.303 18096 10519 1 15 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.070 -0.240 18096 10520 1 15 . 1 1 26 26 ILE H H 26 8.012 8.012 7.822 0.190 18096 10521 1 15 . 1 1 27 27 LEU N N 27 118.567 118.567 119.508 -0.941 18096 10522 1 15 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.965 0.041 18096 10523 1 15 . 1 1 27 27 LEU C C 27 178.364 178.364 179.274 -0.910 18096 10524 1 15 . 1 1 27 27 LEU CA C 27 58.737 58.737 57.980 0.757 18096 10525 1 15 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.436 0.401 18096 10526 1 15 . 1 1 27 27 LEU H H 27 8.045 8.045 8.309 -0.264 18096 10527 1 15 . 1 1 28 28 VAL N N 28 113.720 113.720 118.878 -5.158 18096 10528 1 15 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.713 -0.138 18096 10529 1 15 . 1 1 28 28 VAL C C 28 177.809 177.809 177.890 -0.081 18096 10530 1 15 . 1 1 28 28 VAL CA C 28 66.013 66.013 65.939 0.075 18096 10531 1 15 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.349 0.701 18096 10532 1 15 . 1 1 28 28 VAL H H 28 8.008 8.008 7.441 0.567 18096 10533 1 15 . 1 1 29 29 PHE N N 29 115.458 115.458 117.769 -2.311 18096 10534 1 15 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.298 -0.089 18096 10535 1 15 . 1 1 29 29 PHE C C 29 176.366 176.366 178.088 -1.722 18096 10536 1 15 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.546 -0.688 18096 10537 1 15 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.868 0.729 18096 10538 1 15 . 1 1 29 29 PHE H H 29 7.915 7.915 7.620 0.295 18096 10539 1 15 . 1 1 30 30 TYR N N 30 115.649 115.649 116.038 -0.389 18096 10540 1 15 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.437 -0.196 18096 10541 1 15 . 1 1 30 30 TYR C C 30 175.388 175.388 175.979 -0.591 18096 10542 1 15 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.320 -0.934 18096 10543 1 15 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.267 0.373 18096 10544 1 15 . 1 1 30 30 TYR H H 30 8.002 8.002 7.845 0.157 18096 10545 1 15 . 1 1 31 31 LEU N N 31 121.144 121.144 120.604 0.540 18096 10546 1 15 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.699 -0.251 18096 10547 1 15 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.486 1.663 18096 10548 1 15 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.174 -0.838 18096 10549 1 15 . 1 1 31 31 LEU H H 31 7.514 7.514 7.233 0.281 18096 10550 1 15 . 1 1 32 32 PRO C C 32 176.530 176.530 176.177 0.353 18096 10551 1 15 . 1 1 33 33 SER N N 33 115.448 115.448 120.956 -5.508 18096 10552 1 15 . 1 1 33 33 SER HA H 33 4.317 4.317 4.565 -0.248 18096 10553 1 15 . 1 1 33 33 SER C C 33 174.174 174.174 172.480 1.694 18096 10554 1 15 . 1 1 33 33 SER CA C 33 59.954 59.954 57.759 2.195 18096 10555 1 15 . 1 1 33 33 SER H H 33 8.370 8.370 8.271 0.099 18096 10556 1 15 . 1 1 34 34 ASP N N 34 119.694 119.694 121.502 -1.808 18096 10557 1 15 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.387 0.198 18096 10558 1 15 . 1 1 34 34 ASP C C 34 175.971 175.971 176.363 -0.392 18096 10559 1 15 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.686 -0.244 18096 10560 1 15 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.237 0.003 18096 10561 1 15 . 1 1 34 34 ASP H H 34 8.209 8.209 8.491 -0.282 18096 10562 1 15 . 1 1 35 35 CYS N N 35 114.872 114.872 118.768 -3.896 18096 10563 1 15 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.609 -0.406 18096 10564 1 15 . 1 1 35 35 CYS C C 35 175.147 175.147 176.176 -1.029 18096 10565 1 15 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.297 1.823 18096 10566 1 15 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.203 -0.317 18096 10567 1 15 . 1 1 35 35 CYS H H 35 7.750 7.750 8.446 -0.696 18096 10568 1 15 . 1 1 36 36 GLY N N 36 110.059 110.059 107.642 2.417 18096 10569 1 15 . 1 1 36 36 GLY C C 36 174.391 174.391 175.213 -0.822 18096 10570 1 15 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.407 0.880 18096 10571 1 15 . 1 1 36 36 GLY H H 36 8.357 8.357 8.223 0.134 18096 10572 1 15 . 1 1 37 37 GLU N N 37 121.785 121.785 120.757 1.028 18096 10573 1 15 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.066 0.000 18096 10574 1 15 . 1 1 37 37 GLU C C 37 176.536 176.536 177.816 -1.280 18096 10575 1 15 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.073 -0.547 18096 10576 1 15 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.834 -0.104 18096 10577 1 15 . 1 1 37 37 GLU H H 37 8.359 8.359 8.428 -0.069 18096 10578 1 15 . 1 1 38 38 LYS N N 38 123.927 123.927 118.457 5.470 18096 10579 1 15 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.058 0.065 18096 10580 1 15 . 1 1 38 38 LYS C C 38 177.544 177.544 178.865 -1.321 18096 10581 1 15 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.514 0.055 18096 10582 1 15 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.742 -0.065 18096 10583 1 15 . 1 1 38 38 LYS H H 38 8.226 8.226 8.173 0.053 18096 10584 1 15 . 1 1 39 39 MET N N 39 117.932 117.932 118.834 -0.902 18096 10585 1 15 . 1 1 39 39 MET HA H 39 4.135 4.135 4.322 -0.187 18096 10586 1 15 . 1 1 39 39 MET C C 39 178.602 178.602 178.174 0.428 18096 10587 1 15 . 1 1 39 39 MET CA C 39 58.851 58.851 59.365 -0.514 18096 10588 1 15 . 1 1 39 39 MET CB C 39 32.220 32.220 32.488 -0.268 18096 10589 1 15 . 1 1 39 39 MET H H 39 8.262 8.262 7.904 0.358 18096 10590 1 15 . 1 1 40 40 THR N N 40 117.201 117.201 115.253 1.948 18096 10591 1 15 . 1 1 40 40 THR HA H 40 3.673 3.673 4.048 -0.375 18096 10592 1 15 . 1 1 40 40 THR C C 40 175.927 175.927 176.450 -0.523 18096 10593 1 15 . 1 1 40 40 THR CA C 40 67.352 67.352 66.215 1.137 18096 10594 1 15 . 1 1 40 40 THR H H 40 8.341 8.341 7.630 0.711 18096 10595 1 15 . 1 1 41 41 LEU N N 41 120.040 120.040 122.977 -2.937 18096 10596 1 15 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.100 -0.048 18096 10597 1 15 . 1 1 41 41 LEU C C 41 177.809 177.809 177.714 0.095 18096 10598 1 15 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.162 0.225 18096 10599 1 15 . 1 1 41 41 LEU H H 41 8.181 8.181 7.468 0.713 18096 10600 1 15 . 1 1 42 42 CYS N N 42 117.556 117.556 117.560 -0.004 18096 10601 1 15 . 1 1 42 42 CYS HA H 42 3.952 3.952 3.993 -0.041 18096 10602 1 15 . 1 1 42 42 CYS C C 42 176.460 176.460 176.823 -0.363 18096 10603 1 15 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.666 0.830 18096 10604 1 15 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.276 -0.442 18096 10605 1 15 . 1 1 42 42 CYS H H 42 7.949 7.949 7.516 0.433 18096 10606 1 15 . 1 1 43 43 ILE N N 43 117.336 117.336 119.986 -2.650 18096 10607 1 15 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.635 -0.006 18096 10608 1 15 . 1 1 43 43 ILE C C 43 177.256 177.256 177.672 -0.416 18096 10609 1 15 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.650 -0.575 18096 10610 1 15 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.903 0.041 18096 10611 1 15 . 1 1 43 43 ILE H H 43 8.347 8.347 7.571 0.776 18096 10612 1 15 . 1 1 44 44 SER N N 44 116.243 116.243 116.092 0.151 18096 10613 1 15 . 1 1 44 44 SER HA H 44 4.083 4.083 4.094 -0.011 18096 10614 1 15 . 1 1 44 44 SER C C 44 176.305 176.305 176.439 -0.134 18096 10615 1 15 . 1 1 44 44 SER CA C 44 63.348 63.348 62.840 0.508 18096 10616 1 15 . 1 1 44 44 SER CB C 44 62.954 62.954 63.062 -0.108 18096 10617 1 15 . 1 1 44 44 SER H H 44 8.064 8.064 8.048 0.016 18096 10618 1 15 . 1 1 45 45 VAL N N 45 120.333 120.333 121.484 -1.151 18096 10619 1 15 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.632 -0.116 18096 10620 1 15 . 1 1 45 45 VAL C C 45 177.247 177.247 177.601 -0.354 18096 10621 1 15 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.677 0.261 18096 10622 1 15 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.744 0.016 18096 10623 1 15 . 1 1 45 45 VAL H H 45 8.036 8.036 8.270 -0.234 18096 10624 1 15 . 1 1 46 46 LEU N N 46 119.430 119.430 119.922 -0.492 18096 10625 1 15 . 1 1 46 46 LEU HA H 46 3.948 3.948 3.957 -0.009 18096 10626 1 15 . 1 1 46 46 LEU C C 46 180.032 180.032 178.877 1.155 18096 10627 1 15 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.983 0.543 18096 10628 1 15 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.746 0.239 18096 10629 1 15 . 1 1 46 46 LEU H H 46 7.959 7.959 7.420 0.539 18096 10630 1 15 . 1 1 47 47 LEU N N 47 121.110 121.110 120.075 1.035 18096 10631 1 15 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.850 0.148 18096 10632 1 15 . 1 1 47 47 LEU C C 47 177.985 177.985 178.478 -0.493 18096 10633 1 15 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.218 0.221 18096 10634 1 15 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.771 0.275 18096 10635 1 15 . 1 1 47 47 LEU H H 47 8.695 8.695 7.740 0.955 18096 10636 1 15 . 1 1 48 48 ALA N N 48 121.251 121.251 121.551 -0.300 18096 10637 1 15 . 1 1 48 48 ALA HA H 48 3.845 3.845 4.006 -0.161 18096 10638 1 15 . 1 1 48 48 ALA C C 48 178.834 178.834 180.075 -1.241 18096 10639 1 15 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.218 0.491 18096 10640 1 15 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.280 -0.147 18096 10641 1 15 . 1 1 48 48 ALA H H 48 8.272 8.272 7.775 0.497 18096 10642 1 15 . 1 1 49 49 LEU N N 49 116.290 116.290 118.322 -2.032 18096 10643 1 15 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.324 -0.327 18096 10644 1 15 . 1 1 49 49 LEU C C 49 178.068 178.068 179.439 -1.371 18096 10645 1 15 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.845 0.463 18096 10646 1 15 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.141 0.805 18096 10647 1 15 . 1 1 49 49 LEU H H 49 8.526 8.526 8.261 0.265 18096 10648 1 15 . 1 1 50 50 THR N N 50 115.495 115.495 117.229 -1.734 18096 10649 1 15 . 1 1 50 50 THR HA H 50 3.692 3.692 4.024 -0.332 18096 10650 1 15 . 1 1 50 50 THR C C 50 176.061 176.061 176.978 -0.917 18096 10651 1 15 . 1 1 50 50 THR CA C 50 68.786 68.786 67.770 1.016 18096 10652 1 15 . 1 1 50 50 THR H H 50 7.996 7.996 8.279 -0.283 18096 10653 1 15 . 1 1 51 51 VAL N N 51 119.977 119.977 121.903 -1.926 18096 10654 1 15 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.594 -0.098 18096 10655 1 15 . 1 1 51 51 VAL C C 51 177.063 177.063 178.045 -0.982 18096 10656 1 15 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.797 0.565 18096 10657 1 15 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.591 0.027 18096 10658 1 15 . 1 1 51 51 VAL H H 51 8.145 8.145 8.161 -0.016 18096 10659 1 15 . 1 1 52 52 PHE N N 52 118.836 118.836 118.630 0.206 18096 10660 1 15 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.348 -0.246 18096 10661 1 15 . 1 1 52 52 PHE C C 52 176.721 176.721 177.635 -0.914 18096 10662 1 15 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.518 0.121 18096 10663 1 15 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.915 0.414 18096 10664 1 15 . 1 1 52 52 PHE H H 52 8.354 8.354 7.515 0.839 18096 10665 1 15 . 1 1 53 53 LEU N N 53 117.271 117.271 121.182 -3.911 18096 10666 1 15 . 1 1 53 53 LEU HA H 53 3.872 3.872 4.025 -0.153 18096 10667 1 15 . 1 1 53 53 LEU C C 53 179.184 179.184 178.526 0.658 18096 10668 1 15 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.723 -0.866 18096 10669 1 15 . 1 1 53 53 LEU CB C 53 41.995 41.995 42.075 -0.080 18096 10670 1 15 . 1 1 53 53 LEU H H 53 8.438 8.438 8.508 -0.070 18096 10671 1 15 . 1 1 54 54 LEU N N 54 119.310 119.310 118.625 0.685 18096 10672 1 15 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.909 0.098 18096 10673 1 15 . 1 1 54 54 LEU C C 54 179.224 179.224 179.196 0.028 18096 10674 1 15 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.875 0.213 18096 10675 1 15 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.701 0.328 18096 10676 1 15 . 1 1 54 54 LEU H H 54 8.147 8.147 8.244 -0.097 18096 10677 1 15 . 1 1 55 55 LEU N N 55 118.400 118.400 120.123 -1.723 18096 10678 1 15 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.923 0.177 18096 10679 1 15 . 1 1 55 55 LEU C C 55 178.974 178.974 178.749 0.225 18096 10680 1 15 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.125 -0.264 18096 10681 1 15 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.172 -0.200 18096 10682 1 15 . 1 1 55 55 LEU H H 55 8.096 8.096 7.448 0.648 18096 10683 1 15 . 1 1 56 56 ILE N N 56 115.919 115.919 117.732 -1.813 18096 10684 1 15 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.633 0.223 18096 10685 1 15 . 1 1 56 56 ILE C C 56 176.763 176.763 178.326 -1.563 18096 10686 1 15 . 1 1 56 56 ILE CA C 56 63.511 63.511 65.236 -1.725 18096 10687 1 15 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.987 -0.298 18096 10688 1 15 . 1 1 56 56 ILE H H 56 8.028 8.028 7.641 0.387 18096 10689 1 15 . 1 1 57 57 SER N N 57 114.862 114.862 114.148 0.714 18096 10690 1 15 . 1 1 57 57 SER HA H 57 4.178 4.178 4.255 -0.077 18096 10691 1 15 . 1 1 57 57 SER C C 57 175.258 175.258 175.787 -0.529 18096 10692 1 15 . 1 1 57 57 SER CA C 57 60.946 60.946 61.117 -0.171 18096 10693 1 15 . 1 1 57 57 SER CB C 57 63.558 63.558 63.266 0.292 18096 10694 1 15 . 1 1 57 57 SER H H 57 7.689 7.689 7.938 -0.249 18096 10695 1 15 . 1 1 58 58 LYS N N 58 118.080 118.080 119.432 -1.352 18096 10696 1 15 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.315 -0.028 18096 10697 1 15 . 1 1 58 58 LYS C C 58 176.668 176.668 176.020 0.648 18096 10698 1 15 . 1 1 58 58 LYS CA C 58 56.107 56.107 56.714 -0.607 18096 10699 1 15 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.397 -1.333 18096 10700 1 15 . 1 1 58 58 LYS H H 58 7.595 7.595 7.626 -0.031 18096 10701 1 15 . 1 1 59 59 ILE N N 59 116.926 116.926 118.417 -1.491 18096 10702 1 15 . 1 1 59 59 ILE HA H 59 4.034 4.034 3.839 0.195 18096 10703 1 15 . 1 1 59 59 ILE C C 59 175.226 175.226 174.633 0.593 18096 10704 1 15 . 1 1 59 59 ILE CA C 59 62.384 62.384 61.429 0.955 18096 10705 1 15 . 1 1 59 59 ILE CB C 59 38.073 38.073 36.788 1.285 18096 10706 1 15 . 1 1 59 59 ILE H H 59 7.706 7.706 7.442 0.264 18096 10707 1 15 . 1 1 60 60 VAL N N 60 119.235 119.235 126.039 -6.804 18096 10708 1 15 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.406 -0.080 18096 10709 1 15 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.464 0.283 18096 10710 1 15 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.384 0.882 18096 10711 1 15 . 1 1 60 60 VAL H H 60 7.586 7.586 8.310 -0.724 18096 10712 1 15 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.553 0.091 18096 10713 1 15 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.421 0.100 18096 10714 1 15 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.434 -0.298 18096 10715 1 15 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.471 0.020 18096 10716 1 15 . 1 1 62 62 PRO C C 62 176.912 176.912 177.195 -0.283 18096 10717 1 15 . 1 1 62 62 PRO CA C 62 63.243 63.243 65.197 -1.954 18096 10718 1 15 . 1 1 62 62 PRO CB C 62 31.878 31.878 32.217 -0.339 18096 10719 1 15 . 1 1 63 63 THR N N 63 111.607 111.607 109.006 2.601 18096 10720 1 15 . 1 1 63 63 THR HA H 63 4.447 4.447 4.319 0.128 18096 10721 1 15 . 1 1 63 63 THR C C 63 174.725 174.725 173.501 1.224 18096 10722 1 15 . 1 1 63 63 THR CA C 63 61.245 61.245 62.865 -1.620 18096 10723 1 15 . 1 1 63 63 THR CB C 63 69.807 69.807 68.905 0.902 18096 10724 1 15 . 1 1 63 63 THR H H 63 7.915 7.915 8.253 -0.338 18096 10725 1 15 . 1 1 64 64 SER N N 64 116.516 116.516 119.329 -2.813 18096 10726 1 15 . 1 1 64 64 SER HA H 64 4.411 4.411 4.853 -0.442 18096 10727 1 15 . 1 1 64 64 SER C C 64 174.580 174.580 174.083 0.497 18096 10728 1 15 . 1 1 64 64 SER CA C 64 58.608 58.608 57.507 1.101 18096 10729 1 15 . 1 1 64 64 SER CB C 64 63.742 63.742 64.877 -1.135 18096 10730 1 15 . 1 1 64 64 SER H H 64 8.127 8.127 7.959 0.168 18096 10731 1 15 . 1 1 65 65 SER N N 65 116.921 116.921 119.138 -2.217 18096 10732 1 15 . 1 1 65 65 SER HA H 65 4.453 4.453 4.808 -0.355 18096 10733 1 15 . 1 1 65 65 SER C C 65 174.100 174.100 173.521 0.579 18096 10734 1 15 . 1 1 65 65 SER CA C 65 58.584 58.584 58.009 0.575 18096 10735 1 15 . 1 1 65 65 SER CB C 65 63.668 63.668 65.809 -2.141 18096 10736 1 15 . 1 1 65 65 SER H H 65 8.169 8.169 8.239 -0.070 18096 10737 1 15 . 1 1 66 66 ASP N N 66 120.478 120.478 120.029 0.449 18096 10738 1 15 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.665 -0.041 18096 10739 1 15 . 1 1 66 66 ASP C C 66 175.730 175.730 174.857 0.873 18096 10740 1 15 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.517 -0.272 18096 10741 1 15 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.340 -0.145 18096 10742 1 15 . 1 1 66 66 ASP H H 66 8.154 8.154 8.805 -0.651 18096 10743 1 15 . 1 1 67 67 SER N N 67 115.159 115.159 116.809 -1.650 18096 10744 1 15 . 1 1 67 67 SER HA H 67 4.528 4.528 4.674 -0.146 18096 10745 1 15 . 1 1 67 67 SER CA C 67 56.493 56.493 57.432 -0.939 18096 10746 1 15 . 1 1 67 67 SER CB C 67 63.604 63.604 64.782 -1.178 18096 10747 1 15 . 1 1 67 67 SER H H 67 7.930 7.930 8.192 -0.262 18096 10748 1 15 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.675 -0.280 18096 10749 1 15 . 1 1 68 68 PRO C C 68 176.652 176.652 176.039 0.613 18096 10750 1 15 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.717 0.876 18096 10751 1 15 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.805 -1.453 18096 10752 1 15 . 1 1 69 69 SER N N 69 115.859 115.859 113.868 1.991 18096 10753 1 15 . 1 1 69 69 SER HA H 69 4.436 4.436 4.606 -0.170 18096 10754 1 15 . 1 1 69 69 SER C C 69 174.611 174.611 175.663 -1.052 18096 10755 1 15 . 1 1 69 69 SER CA C 69 58.264 58.264 57.435 0.829 18096 10756 1 15 . 1 1 69 69 SER CB C 69 63.919 63.919 63.368 0.551 18096 10757 1 15 . 1 1 69 69 SER H H 69 8.256 8.256 8.374 -0.118 18096 10758 1 15 . 1 1 70 70 VAL N N 70 117.241 117.241 121.060 -3.819 18096 10759 1 15 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.218 -0.416 18096 10760 1 15 . 1 1 70 70 VAL C C 70 177.772 177.772 177.555 0.217 18096 10761 1 15 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.956 1.688 18096 10762 1 15 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.304 0.592 18096 10763 1 15 . 1 1 70 70 VAL H H 70 8.211 8.211 8.214 -0.003 18096 10764 1 15 . 1 1 71 71 GLY N N 71 106.999 106.999 107.954 -0.955 18096 10765 1 15 . 1 1 71 71 GLY C C 71 175.551 175.551 176.085 -0.534 18096 10766 1 15 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.939 0.306 18096 10767 1 15 . 1 1 71 71 GLY H H 71 8.566 8.566 8.488 0.078 18096 10768 1 15 . 1 1 72 72 GLU N N 72 121.376 121.376 122.393 -1.017 18096 10769 1 15 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.851 0.038 18096 10770 1 15 . 1 1 72 72 GLU C C 72 178.495 178.495 178.534 -0.039 18096 10771 1 15 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.200 0.918 18096 10772 1 15 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.315 0.275 18096 10773 1 15 . 1 1 72 72 GLU H H 72 7.919 7.919 7.508 0.411 18096 10774 1 15 . 1 1 73 73 TYR N N 73 117.643 117.643 117.990 -0.347 18096 10775 1 15 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.298 -0.236 18096 10776 1 15 . 1 1 73 73 TYR C C 73 179.921 179.921 178.423 1.498 18096 10777 1 15 . 1 1 73 73 TYR CA C 73 62.130 62.130 61.310 0.820 18096 10778 1 15 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.037 0.880 18096 10779 1 15 . 1 1 73 73 TYR H H 73 8.095 8.095 7.254 0.841 18096 10780 1 15 . 1 1 74 74 LEU N N 74 121.712 121.712 119.567 2.145 18096 10781 1 15 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.066 -0.003 18096 10782 1 15 . 1 1 74 74 LEU C C 74 178.385 178.385 178.680 -0.295 18096 10783 1 15 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.687 0.787 18096 10784 1 15 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.672 0.266 18096 10785 1 15 . 1 1 74 74 LEU H H 74 8.615 8.615 8.137 0.478 18096 10786 1 15 . 1 1 75 75 MET N N 75 119.087 119.087 118.870 0.217 18096 10787 1 15 . 1 1 75 75 MET HA H 75 4.056 4.056 3.961 0.095 18096 10788 1 15 . 1 1 75 75 MET C C 75 177.851 177.851 178.474 -0.623 18096 10789 1 15 . 1 1 75 75 MET CA C 75 59.166 59.166 58.689 0.477 18096 10790 1 15 . 1 1 75 75 MET CB C 75 32.093 32.093 31.549 0.544 18096 10791 1 15 . 1 1 75 75 MET H H 75 8.362 8.362 7.496 0.866 18096 10792 1 15 . 1 1 76 76 PHE N N 76 117.788 117.788 116.265 1.523 18096 10793 1 15 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.418 -0.313 18096 10794 1 15 . 1 1 76 76 PHE C C 76 177.305 177.305 178.097 -0.792 18096 10795 1 15 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.172 1.204 18096 10796 1 15 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.824 1.137 18096 10797 1 15 . 1 1 76 76 PHE H H 76 8.471 8.471 7.580 0.891 18096 10798 1 15 . 1 1 77 77 THR N N 77 115.298 115.298 117.659 -2.361 18096 10799 1 15 . 1 1 77 77 THR HA H 77 3.673 3.673 4.049 -0.376 18096 10800 1 15 . 1 1 77 77 THR C C 77 176.057 176.057 176.169 -0.112 18096 10801 1 15 . 1 1 77 77 THR CA C 77 68.423 68.423 67.341 1.082 18096 10802 1 15 . 1 1 77 77 THR CB C 77 68.204 68.204 69.112 -0.908 18096 10803 1 15 . 1 1 77 77 THR H H 77 8.179 8.179 8.197 -0.018 18096 10804 1 15 . 1 1 78 78 MET N N 78 119.204 119.204 121.462 -2.258 18096 10805 1 15 . 1 1 78 78 MET HA H 78 4.092 4.092 4.220 -0.128 18096 10806 1 15 . 1 1 78 78 MET C C 78 179.421 179.421 178.146 1.275 18096 10807 1 15 . 1 1 78 78 MET CA C 78 58.810 58.810 57.932 0.878 18096 10808 1 15 . 1 1 78 78 MET CB C 78 32.176 32.176 31.853 0.323 18096 10809 1 15 . 1 1 78 78 MET H H 78 8.310 8.310 8.557 -0.247 18096 10810 1 15 . 1 1 79 79 VAL N N 79 122.115 122.115 119.613 2.502 18096 10811 1 15 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.747 -0.255 18096 10812 1 15 . 1 1 79 79 VAL C C 79 176.866 176.866 178.540 -1.674 18096 10813 1 15 . 1 1 79 79 VAL CA C 79 67.374 67.374 67.037 0.338 18096 10814 1 15 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.397 0.218 18096 10815 1 15 . 1 1 79 79 VAL H H 79 8.239 8.239 7.679 0.560 18096 10816 1 15 . 1 1 80 80 LEU N N 80 120.240 120.240 120.166 0.074 18096 10817 1 15 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.097 -0.158 18096 10818 1 15 . 1 1 80 80 LEU C C 80 180.078 180.078 179.391 0.687 18096 10819 1 15 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.491 0.106 18096 10820 1 15 . 1 1 80 80 LEU CB C 80 41.941 41.941 42.016 -0.074 18096 10821 1 15 . 1 1 80 80 LEU H H 80 8.058 8.058 7.477 0.581 18096 10822 1 15 . 1 1 81 81 VAL N N 81 120.008 120.008 118.307 1.701 18096 10823 1 15 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.775 -0.317 18096 10824 1 15 . 1 1 81 81 VAL C C 81 177.670 177.670 178.500 -0.830 18096 10825 1 15 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.076 0.261 18096 10826 1 15 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.168 0.447 18096 10827 1 15 . 1 1 81 81 VAL H H 81 8.800 8.800 8.483 0.317 18096 10828 1 15 . 1 1 82 82 THR N N 82 116.872 116.872 116.243 0.629 18096 10829 1 15 . 1 1 82 82 THR HA H 82 3.676 3.676 4.058 -0.382 18096 10830 1 15 . 1 1 82 82 THR C C 82 176.268 176.268 176.254 0.014 18096 10831 1 15 . 1 1 82 82 THR CA C 82 68.590 68.590 66.919 1.671 18096 10832 1 15 . 1 1 82 82 THR CB C 82 68.468 68.468 68.846 -0.378 18096 10833 1 15 . 1 1 82 82 THR H H 82 8.109 8.109 8.317 -0.208 18096 10834 1 15 . 1 1 83 83 PHE N N 83 119.777 119.777 121.977 -2.200 18096 10835 1 15 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.229 -0.148 18096 10836 1 15 . 1 1 83 83 PHE C C 83 178.015 178.015 177.218 0.797 18096 10837 1 15 . 1 1 83 83 PHE CA C 83 61.612 61.612 62.173 -0.561 18096 10838 1 15 . 1 1 83 83 PHE CB C 83 38.686 38.686 39.237 -0.551 18096 10839 1 15 . 1 1 83 83 PHE H H 83 8.754 8.754 7.903 0.851 18096 10840 1 15 . 1 1 84 84 SER N N 84 117.769 117.769 115.601 2.168 18096 10841 1 15 . 1 1 84 84 SER HA H 84 4.091 4.091 4.129 -0.038 18096 10842 1 15 . 1 1 84 84 SER C C 84 175.899 175.899 176.831 -0.932 18096 10843 1 15 . 1 1 84 84 SER CA C 84 63.269 63.269 62.622 0.647 18096 10844 1 15 . 1 1 84 84 SER CB C 84 62.962 62.962 63.512 -0.550 18096 10845 1 15 . 1 1 84 84 SER H H 84 8.335 8.335 8.005 0.330 18096 10846 1 15 . 1 1 85 85 ILE N N 85 122.986 122.986 121.540 1.446 18096 10847 1 15 . 1 1 85 85 ILE HA H 85 3.649 3.649 4.004 -0.355 18096 10848 1 15 . 1 1 85 85 ILE C C 85 177.778 177.778 178.676 -0.898 18096 10849 1 15 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.148 2.356 18096 10850 1 15 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.841 1.274 18096 10851 1 15 . 1 1 85 85 ILE H H 85 8.187 8.187 7.717 0.470 18096 10852 1 15 . 1 1 86 86 VAL N N 86 117.289 117.289 120.566 -3.277 18096 10853 1 15 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.612 -0.103 18096 10854 1 15 . 1 1 86 86 VAL C C 86 177.816 177.816 178.136 -0.320 18096 10855 1 15 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.940 0.107 18096 10856 1 15 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.073 0.524 18096 10857 1 15 . 1 1 86 86 VAL H H 86 8.367 8.367 8.130 0.237 18096 10858 1 15 . 1 1 87 87 THR N N 87 116.788 116.788 115.687 1.101 18096 10859 1 15 . 1 1 87 87 THR HA H 87 3.758 3.758 3.910 -0.152 18096 10860 1 15 . 1 1 87 87 THR C C 87 176.095 176.095 176.727 -0.632 18096 10861 1 15 . 1 1 87 87 THR CA C 87 67.248 67.248 67.076 0.172 18096 10862 1 15 . 1 1 87 87 THR H H 87 8.007 8.007 7.881 0.126 18096 10863 1 15 . 1 1 88 88 SER N N 88 116.157 116.157 118.018 -1.861 18096 10864 1 15 . 1 1 88 88 SER HA H 88 4.018 4.018 4.248 -0.230 18096 10865 1 15 . 1 1 88 88 SER C C 88 174.932 174.932 176.662 -1.730 18096 10866 1 15 . 1 1 88 88 SER CA C 88 62.717 62.717 61.635 1.082 18096 10867 1 15 . 1 1 88 88 SER CB C 88 62.954 62.954 62.950 0.004 18096 10868 1 15 . 1 1 88 88 SER H H 88 7.662 7.662 7.908 -0.246 18096 10869 1 15 . 1 1 89 89 VAL N N 89 117.956 117.956 122.563 -4.607 18096 10870 1 15 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.792 -0.276 18096 10871 1 15 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.962 1.304 18096 10872 1 15 . 1 1 89 89 VAL H H 89 8.274 8.274 8.376 -0.102 18096 10873 1 15 . 1 1 90 90 CYS N N 90 116.319 116.319 116.881 -0.562 18096 10874 1 15 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.172 0.057 18096 10875 1 15 . 1 1 90 90 CYS C C 90 175.174 175.174 175.946 -0.772 18096 10876 1 15 . 1 1 90 90 CYS CA C 90 62.618 62.618 61.899 0.719 18096 10877 1 15 . 1 1 90 90 CYS CB C 90 26.791 26.791 28.066 -1.275 18096 10878 1 15 . 1 1 90 90 CYS H H 90 7.654 7.654 7.496 0.158 18096 10879 1 15 . 1 1 91 91 VAL N N 91 115.534 115.534 118.476 -2.942 18096 10880 1 15 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.834 -0.208 18096 10881 1 15 . 1 1 91 91 VAL C C 91 176.038 176.038 177.672 -1.634 18096 10882 1 15 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.368 -1.760 18096 10883 1 15 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.109 -0.187 18096 10884 1 15 . 1 1 91 91 VAL H H 91 7.760 7.760 7.574 0.186 18096 10885 1 15 . 1 1 92 92 LEU N N 92 119.713 119.713 119.850 -0.137 18096 10886 1 15 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.094 0.146 18096 10887 1 15 . 1 1 92 92 LEU C C 92 176.769 176.769 176.793 -0.024 18096 10888 1 15 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.156 -1.566 18096 10889 1 15 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.671 -0.739 18096 10890 1 15 . 1 1 92 92 LEU H H 92 7.732 7.732 8.117 -0.385 18096 10891 1 15 . 1 1 93 93 ASN N N 93 117.817 117.817 113.830 3.987 18096 10892 1 15 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.674 0.002 18096 10893 1 15 . 1 1 93 93 ASN C C 93 174.955 174.955 172.821 2.134 18096 10894 1 15 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.678 0.577 18096 10895 1 15 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.643 -1.135 18096 10896 1 15 . 1 1 93 93 ASN H H 93 7.916 7.916 7.618 0.298 18096 10897 1 15 . 1 1 94 94 VAL N N 94 118.650 118.650 121.265 -2.615 18096 10898 1 15 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.225 -0.201 18096 10899 1 15 . 1 1 94 94 VAL C C 94 175.740 175.740 173.387 2.353 18096 10900 1 15 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.328 0.204 18096 10901 1 15 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.021 -1.389 18096 10902 1 15 . 1 1 94 94 VAL H H 94 7.730 7.730 7.985 -0.255 18096 10903 1 15 . 1 1 95 95 HIS N N 95 121.293 121.293 123.991 -2.698 18096 10904 1 15 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.967 -0.348 18096 10905 1 15 . 1 1 95 95 HIS C C 95 174.146 174.146 174.141 0.005 18096 10906 1 15 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.737 -1.155 18096 10907 1 15 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.186 -0.431 18096 10908 1 15 . 1 1 95 95 HIS H H 95 8.341 8.341 8.468 -0.127 18096 10909 1 15 . 1 1 96 96 HIS N N 96 122.728 122.728 122.496 0.232 18096 10910 1 15 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.621 0.014 18096 10911 1 15 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.176 -0.594 18096 10912 1 15 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.917 -0.144 18096 10913 1 15 . 1 1 96 96 HIS H H 96 8.333 8.333 8.588 -0.255 18096 10914 1 15 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.629 -0.334 18096 10915 1 15 . 1 1 97 97 ARG C C 97 175.776 175.776 175.413 0.363 18096 10916 1 15 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.170 0.060 18096 10917 1 15 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.115 -0.085 18096 10918 1 15 . 1 1 98 98 SER N N 98 118.439 118.439 120.007 -1.568 18096 10919 1 15 . 1 1 98 98 SER HA H 98 4.736 4.736 4.730 0.006 18096 10920 1 15 . 1 1 98 98 SER CA C 98 56.614 56.614 56.076 0.538 18096 10921 1 15 . 1 1 98 98 SER CB C 98 63.622 63.622 64.920 -1.298 18096 10922 1 15 . 1 1 98 98 SER H H 98 8.250 8.250 8.188 0.062 18096 10923 1 15 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.383 0.011 18096 10924 1 15 . 1 1 99 99 PRO C C 99 176.879 176.879 176.682 0.197 18096 10925 1 15 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.057 -0.360 18096 10926 1 15 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.227 -0.181 18096 10927 1 15 . 1 1 100 100 GLU N N 100 120.297 120.297 119.274 1.023 18096 10928 1 15 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.472 -0.173 18096 10929 1 15 . 1 1 100 100 GLU C C 100 176.576 176.576 175.670 0.906 18096 10930 1 15 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.745 0.723 18096 10931 1 15 . 1 1 100 100 GLU CB C 100 29.944 29.944 30.916 -0.973 18096 10932 1 15 . 1 1 100 100 GLU H H 100 8.391 8.391 8.235 0.156 18096 10933 1 15 . 1 1 101 101 THR N N 101 114.144 114.144 114.482 -0.338 18096 10934 1 15 . 1 1 101 101 THR HA H 101 4.280 4.280 4.649 -0.369 18096 10935 1 15 . 1 1 101 101 THR C C 101 174.515 174.515 173.571 0.944 18096 10936 1 15 . 1 1 101 101 THR CA C 101 61.975 61.975 60.454 1.521 18096 10937 1 15 . 1 1 101 101 THR CB C 101 69.817 69.817 71.046 -1.230 18096 10938 1 15 . 1 1 101 101 THR H H 101 7.946 7.946 8.264 -0.318 18096 10939 1 15 . 1 1 102 102 HIS N N 102 120.429 120.429 122.681 -2.252 18096 10940 1 15 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.532 0.218 18096 10941 1 15 . 1 1 102 102 HIS C C 102 174.764 174.764 174.720 0.044 18096 10942 1 15 . 1 1 102 102 HIS CA C 102 55.685 55.685 56.923 -1.238 18096 10943 1 15 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.202 -0.957 18096 10944 1 15 . 1 1 102 102 HIS H H 102 8.459 8.459 8.561 -0.102 18096 10945 1 15 . 1 1 103 103 THR N N 103 114.319 114.319 119.372 -5.053 18096 10946 1 15 . 1 1 103 103 THR HA H 103 4.345 4.345 4.574 -0.229 18096 10947 1 15 . 1 1 103 103 THR C C 103 175.087 175.087 173.606 1.481 18096 10948 1 15 . 1 1 103 103 THR CA C 103 61.976 61.976 61.886 0.090 18096 10949 1 15 . 1 1 103 103 THR CB C 103 69.831 69.831 70.373 -0.542 18096 10950 1 15 . 1 1 103 103 THR H H 103 8.068 8.068 8.106 -0.038 18096 10951 1 15 . 1 1 104 104 GLY N N 104 111.143 111.143 112.071 -0.928 18096 10952 1 15 . 1 1 104 104 GLY C C 104 174.757 174.757 174.102 0.655 18096 10953 1 15 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.300 0.302 18096 10954 1 15 . 1 1 104 104 GLY H H 104 8.389 8.389 8.352 0.037 18096 10955 1 15 . 1 1 105 105 GLY N N 105 108.642 108.642 109.112 -0.470 18096 10956 1 15 . 1 1 105 105 GLY C C 105 174.892 174.892 175.248 -0.356 18096 10957 1 15 . 1 1 105 105 GLY CA C 105 45.602 45.602 46.099 -0.497 18096 10958 1 15 . 1 1 105 105 GLY H H 105 8.272 8.272 8.152 0.120 18096 10959 1 15 . 1 1 106 106 GLY N N 106 108.820 108.820 109.595 -0.775 18096 10960 1 15 . 1 1 106 106 GLY C C 106 174.886 174.886 174.515 0.371 18096 10961 1 15 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.608 0.994 18096 10962 1 15 . 1 1 106 106 GLY H H 106 8.359 8.359 8.086 0.273 18096 10963 1 15 . 1 1 107 107 GLY N N 107 108.550 108.550 107.699 0.851 18096 10964 1 15 . 1 1 107 107 GLY C C 107 174.886 174.886 175.257 -0.371 18096 10965 1 15 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.260 1.342 18096 10966 1 15 . 1 1 107 107 GLY H H 107 8.338 8.338 7.975 0.363 18096 10967 1 15 . 1 1 108 108 GLY N N 108 108.519 108.519 106.529 1.990 18096 10968 1 15 . 1 1 108 108 GLY C C 108 175.411 175.411 175.456 -0.045 18096 10969 1 15 . 1 1 108 108 GLY CA C 108 45.807 45.807 45.217 0.590 18096 10970 1 15 . 1 1 108 108 GLY H H 108 8.336 8.336 8.190 0.146 18096 10971 1 15 . 1 1 109 109 ILE N N 109 120.914 120.914 120.664 0.250 18096 10972 1 15 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.784 0.192 18096 10973 1 15 . 1 1 109 109 ILE C C 109 176.019 176.019 176.391 -0.372 18096 10974 1 15 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.029 -1.102 18096 10975 1 15 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.868 0.205 18096 10976 1 15 . 1 1 109 109 ILE H H 109 8.233 8.233 8.185 0.048 18096 10977 1 15 . 1 1 110 110 ASP N N 110 121.149 121.149 120.028 1.121 18096 10978 1 15 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.409 -0.157 18096 10979 1 15 . 1 1 110 110 ASP C C 110 177.648 177.648 178.542 -0.894 18096 10980 1 15 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.188 -0.387 18096 10981 1 15 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.900 0.281 18096 10982 1 15 . 1 1 110 110 ASP H H 110 8.369 8.369 8.415 -0.046 18096 10983 1 15 . 1 1 111 111 ARG N N 111 119.198 119.198 119.693 -0.495 18096 10984 1 15 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.120 -0.131 18096 10985 1 15 . 1 1 111 111 ARG C C 111 177.502 177.502 178.954 -1.452 18096 10986 1 15 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.464 0.256 18096 10987 1 15 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.777 0.326 18096 10988 1 15 . 1 1 111 111 ARG H H 111 7.835 7.835 8.310 -0.475 18096 10989 1 15 . 1 1 112 112 LEU N N 112 118.935 118.935 120.304 -1.369 18096 10990 1 15 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.103 -0.100 18096 10991 1 15 . 1 1 112 112 LEU C C 112 178.356 178.356 178.353 0.003 18096 10992 1 15 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.927 -0.692 18096 10993 1 15 . 1 1 112 112 LEU CB C 112 41.743 41.743 42.086 -0.343 18096 10994 1 15 . 1 1 112 112 LEU H H 112 7.783 7.783 7.934 -0.151 18096 10995 1 15 . 1 1 113 113 PHE N N 113 116.117 116.117 119.388 -3.271 18096 10996 1 15 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.226 -0.142 18096 10997 1 15 . 1 1 113 113 PHE C C 113 177.092 177.092 177.285 -0.193 18096 10998 1 15 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.024 1.368 18096 10999 1 15 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.987 -0.096 18096 11000 1 15 . 1 1 113 113 PHE H H 113 8.072 8.072 7.691 0.381 18096 11001 1 15 . 1 1 114 114 LEU N N 114 118.710 118.710 120.717 -2.007 18096 11002 1 15 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.526 0.475 18096 11003 1 15 . 1 1 114 114 LEU C C 114 178.210 178.210 178.693 -0.483 18096 11004 1 15 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.414 0.095 18096 11005 1 15 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.834 -0.049 18096 11006 1 15 . 1 1 114 114 LEU H H 114 7.881 7.881 8.116 -0.235 18096 11007 1 15 . 1 1 115 115 TRP N N 115 117.801 117.801 120.850 -3.049 18096 11008 1 15 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.491 -0.209 18096 11009 1 15 . 1 1 115 115 TRP C C 115 178.536 178.536 178.440 0.096 18096 11010 1 15 . 1 1 115 115 TRP CA C 115 60.744 60.744 59.086 1.658 18096 11011 1 15 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.543 -0.418 18096 11012 1 15 . 1 1 115 115 TRP H H 115 7.925 7.925 7.737 0.188 18096 11013 1 15 . 1 1 116 116 ILE N N 116 118.212 118.212 119.879 -1.667 18096 11014 1 15 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.485 0.209 18096 11015 1 15 . 1 1 116 116 ILE C C 116 177.423 177.423 177.786 -0.363 18096 11016 1 15 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.084 0.903 18096 11017 1 15 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.803 0.348 18096 11018 1 15 . 1 1 116 116 ILE H H 116 8.355 8.355 8.433 -0.078 18096 11019 1 15 . 1 1 117 117 PHE N N 117 119.509 119.509 119.178 0.331 18096 11020 1 15 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.199 -0.105 18096 11021 1 15 . 1 1 117 117 PHE C C 117 177.389 177.389 177.283 0.106 18096 11022 1 15 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.495 0.450 18096 11023 1 15 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.665 0.274 18096 11024 1 15 . 1 1 117 117 PHE H H 117 8.419 8.419 7.512 0.907 18096 11025 1 15 . 1 1 118 118 VAL N N 118 118.927 118.927 119.333 -0.406 18096 11026 1 15 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.636 -0.126 18096 11027 1 15 . 1 1 118 118 VAL C C 118 177.452 177.452 178.096 -0.644 18096 11028 1 15 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.452 0.988 18096 11029 1 15 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.428 0.034 18096 11030 1 15 . 1 1 118 118 VAL H H 118 8.509 8.509 7.706 0.803 18096 11031 1 15 . 1 1 119 119 PHE N N 119 118.638 118.638 120.386 -1.748 18096 11032 1 15 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.228 -0.188 18096 11033 1 15 . 1 1 119 119 PHE C C 119 177.403 177.403 177.135 0.268 18096 11034 1 15 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.807 0.796 18096 11035 1 15 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.094 0.051 18096 11036 1 15 . 1 1 119 119 PHE H H 119 8.477 8.477 8.231 0.246 18096 11037 1 15 . 1 1 120 120 VAL N N 120 118.660 118.660 119.003 -0.343 18096 11038 1 15 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.413 0.054 18096 11039 1 15 . 1 1 120 120 VAL C C 120 177.851 177.851 177.492 0.359 18096 11040 1 15 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.306 2.130 18096 11041 1 15 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.541 0.117 18096 11042 1 15 . 1 1 120 120 VAL H H 120 8.705 8.705 7.530 1.175 18096 11043 1 15 . 1 1 121 121 CYS N N 121 117.055 117.055 118.118 -1.063 18096 11044 1 15 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.059 -0.157 18096 11045 1 15 . 1 1 121 121 CYS C C 121 177.629 177.629 176.493 1.136 18096 11046 1 15 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.294 2.045 18096 11047 1 15 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.608 0.181 18096 11048 1 15 . 1 1 121 121 CYS H H 121 7.981 7.981 8.525 -0.544 18096 11049 1 15 . 1 1 122 122 VAL N N 122 120.422 120.422 121.943 -1.521 18096 11050 1 15 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.607 -0.128 18096 11051 1 15 . 1 1 122 122 VAL C C 122 176.923 176.923 177.487 -0.564 18096 11052 1 15 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.688 0.573 18096 11053 1 15 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.565 0.561 18096 11054 1 15 . 1 1 122 122 VAL H H 122 8.487 8.487 7.612 0.875 18096 11055 1 15 . 1 1 123 123 PHE N N 123 117.927 117.927 119.026 -1.099 18096 11056 1 15 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.113 -0.079 18096 11057 1 15 . 1 1 123 123 PHE C C 123 178.151 178.151 176.919 1.232 18096 11058 1 15 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.196 0.898 18096 11059 1 15 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.910 -0.273 18096 11060 1 15 . 1 1 123 123 PHE H H 123 8.630 8.630 7.619 1.011 18096 11061 1 15 . 1 1 124 124 GLY N N 124 106.539 106.539 106.291 0.248 18096 11062 1 15 . 1 1 124 124 GLY C C 124 174.290 174.290 175.862 -1.572 18096 11063 1 15 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.023 0.528 18096 11064 1 15 . 1 1 124 124 GLY H H 124 8.689 8.689 7.715 0.974 18096 11065 1 15 . 1 1 125 125 THR N N 125 117.059 117.059 119.544 -2.485 18096 11066 1 15 . 1 1 125 125 THR HA H 125 3.649 3.649 3.943 -0.294 18096 11067 1 15 . 1 1 125 125 THR C C 125 176.231 176.231 176.686 -0.455 18096 11068 1 15 . 1 1 125 125 THR CA C 125 67.989 67.989 67.179 0.810 18096 11069 1 15 . 1 1 125 125 THR H H 125 7.553 7.553 7.967 -0.414 18096 11070 1 15 . 1 1 126 126 ILE N N 126 119.538 119.538 120.355 -0.817 18096 11071 1 15 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.631 0.017 18096 11072 1 15 . 1 1 126 126 ILE C C 126 177.976 177.976 177.936 0.040 18096 11073 1 15 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.652 1.063 18096 11074 1 15 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.486 0.344 18096 11075 1 15 . 1 1 126 126 ILE H H 126 8.003 8.003 7.791 0.212 18096 11076 1 15 . 1 1 127 127 GLY N N 127 105.404 105.404 107.482 -2.078 18096 11077 1 15 . 1 1 127 127 GLY C C 127 174.597 174.597 176.334 -1.737 18096 11078 1 15 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.817 0.752 18096 11079 1 15 . 1 1 127 127 GLY H H 127 8.438 8.438 7.484 0.954 18096 11080 1 15 . 1 1 128 128 MET N N 128 117.893 117.893 120.367 -2.474 18096 11081 1 15 . 1 1 128 128 MET HA H 128 4.153 4.153 4.308 -0.155 18096 11082 1 15 . 1 1 128 128 MET C C 128 177.815 177.815 177.960 -0.145 18096 11083 1 15 . 1 1 128 128 MET CA C 128 58.198 58.198 57.995 0.203 18096 11084 1 15 . 1 1 128 128 MET CB C 128 32.113 32.113 32.628 -0.515 18096 11085 1 15 . 1 1 128 128 MET H H 128 7.821 7.821 7.508 0.313 18096 11086 1 15 . 1 1 129 129 PHE N N 129 116.018 116.018 121.771 -5.753 18096 11087 1 15 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.264 -0.130 18096 11088 1 15 . 1 1 129 129 PHE C C 129 175.863 175.863 176.102 -0.239 18096 11089 1 15 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.544 -0.729 18096 11090 1 15 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.356 -0.266 18096 11091 1 15 . 1 1 129 129 PHE H H 129 7.797 7.797 8.489 -0.692 18096 11092 1 15 . 1 1 130 130 LEU N N 130 115.806 115.806 118.635 -2.829 18096 11093 1 15 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.117 0.221 18096 11094 1 15 . 1 1 130 130 LEU C C 130 177.219 177.219 177.184 0.035 18096 11095 1 15 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.583 0.884 18096 11096 1 15 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.545 0.879 18096 11097 1 15 . 1 1 130 130 LEU H H 130 7.745 7.745 7.562 0.183 18096 11098 1 15 . 1 1 131 131 GLN N N 131 118.630 118.630 120.136 -1.506 18096 11099 1 15 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.089 0.015 18096 11100 1 15 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.101 2.218 18096 11101 1 15 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.534 -0.713 18096 11102 1 15 . 1 1 131 131 GLN H H 131 7.808 7.808 7.231 0.577 18096 11103 1 15 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.327 0.046 18096 11104 1 15 . 1 1 132 132 PRO C C 132 177.739 177.739 176.214 1.525 18096 11105 1 15 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.592 2.791 18096 11106 1 15 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.408 -0.882 18096 11107 1 15 . 1 1 133 133 LEU N N 133 115.632 115.632 116.740 -1.108 18096 11108 1 15 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.294 -0.230 18096 11109 1 15 . 1 1 133 133 LEU C C 133 176.918 176.918 176.990 -0.072 18096 11110 1 15 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.864 -0.463 18096 11111 1 15 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.321 -0.332 18096 11112 1 15 . 1 1 133 133 LEU H H 133 7.689 7.689 8.269 -0.580 18096 11113 1 15 . 1 1 134 134 PHE N N 134 114.807 114.807 116.661 -1.854 18096 11114 1 15 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.449 0.080 18096 11115 1 15 . 1 1 134 134 PHE C C 134 175.245 175.245 175.307 -0.062 18096 11116 1 15 . 1 1 134 134 PHE CA C 134 57.738 57.738 58.476 -0.738 18096 11117 1 15 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.033 0.576 18096 11118 1 15 . 1 1 134 134 PHE H H 134 7.679 7.679 7.641 0.038 18096 11119 1 15 . 1 1 135 135 GLN N N 135 118.318 118.318 117.284 1.034 18096 11120 1 15 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.407 -0.092 18096 11121 1 15 . 1 1 135 135 GLN C C 135 175.361 175.361 175.888 -0.527 18096 11122 1 15 . 1 1 135 135 GLN CA C 135 56.107 56.107 56.079 0.028 18096 11123 1 15 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.668 0.198 18096 11124 1 15 . 1 1 135 135 GLN H H 135 7.651 7.651 8.242 -0.591 18096 11125 1 15 . 1 1 136 136 GLU N N 136 120.684 120.684 121.901 -1.217 18096 11126 1 15 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.693 -0.382 18096 11127 1 15 . 1 1 136 136 GLU C C 136 175.153 175.153 176.626 -1.473 18096 11128 1 15 . 1 1 136 136 GLU CA C 136 56.475 56.475 55.823 0.652 18096 11129 1 15 . 1 1 136 136 GLU CB C 136 30.232 30.232 27.698 2.534 18096 11130 1 15 . 1 1 136 136 GLU H H 136 8.109 8.109 8.669 -0.560 18096 11131 1 16 . 1 1 3 3 ALA N N 3 124.656 124.656 124.490 0.166 18096 11132 1 16 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.268 -0.062 18096 11133 1 16 . 1 1 3 3 ALA C C 3 178.133 178.133 177.694 0.439 18096 11134 1 16 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.815 0.870 18096 11135 1 16 . 1 1 3 3 ALA CB C 3 19.083 19.083 18.641 0.442 18096 11136 1 16 . 1 1 3 3 ALA H H 3 8.402 8.402 8.069 0.333 18096 11137 1 16 . 1 1 4 4 GLU N N 4 117.439 117.439 122.346 -4.907 18096 11138 1 16 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.366 -0.237 18096 11139 1 16 . 1 1 4 4 GLU C C 4 176.534 176.534 175.335 1.199 18096 11140 1 16 . 1 1 4 4 GLU CA C 4 57.424 57.424 55.602 1.823 18096 11141 1 16 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.835 0.049 18096 11142 1 16 . 1 1 4 4 GLU H H 4 8.219 8.219 8.841 -0.622 18096 11143 1 16 . 1 1 5 5 GLU N N 5 118.815 118.815 118.329 0.486 18096 11144 1 16 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.024 0.187 18096 11145 1 16 . 1 1 5 5 GLU C C 5 176.604 176.604 175.408 1.196 18096 11146 1 16 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.373 -0.422 18096 11147 1 16 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.167 0.795 18096 11148 1 16 . 1 1 5 5 GLU H H 5 7.992 7.992 8.193 -0.201 18096 11149 1 16 . 1 1 6 6 GLU N N 6 121.446 121.446 121.987 -0.541 18096 11150 1 16 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.367 -0.183 18096 11151 1 16 . 1 1 6 6 GLU CA C 6 57.421 57.421 56.740 0.681 18096 11152 1 16 . 1 1 6 6 GLU CB C 6 28.983 28.983 29.137 -0.153 18096 11153 1 16 . 1 1 6 6 GLU H H 6 8.148 8.148 8.446 -0.298 18096 11154 1 16 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.499 -0.236 18096 11155 1 16 . 1 1 7 7 PRO C C 7 178.717 178.717 178.683 0.034 18096 11156 1 16 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.873 0.656 18096 11157 1 16 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.562 -0.239 18096 11158 1 16 . 1 1 8 8 LEU N N 8 119.642 119.642 119.243 0.399 18096 11159 1 16 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.196 -0.244 18096 11160 1 16 . 1 1 8 8 LEU C C 8 177.905 177.905 178.697 -0.792 18096 11161 1 16 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.663 0.268 18096 11162 1 16 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.187 0.586 18096 11163 1 16 . 1 1 8 8 LEU H H 8 8.222 8.222 8.163 0.059 18096 11164 1 16 . 1 1 9 9 PHE N N 9 118.625 118.625 117.754 0.871 18096 11165 1 16 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.274 -0.102 18096 11166 1 16 . 1 1 9 9 PHE C C 9 177.620 177.620 177.059 0.561 18096 11167 1 16 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.456 0.616 18096 11168 1 16 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.480 -0.642 18096 11169 1 16 . 1 1 9 9 PHE H H 9 8.071 8.071 7.644 0.427 18096 11170 1 16 . 1 1 10 10 TYR N N 10 117.829 117.829 120.415 -2.586 18096 11171 1 16 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.205 -0.015 18096 11172 1 16 . 1 1 10 10 TYR C C 10 177.743 177.743 177.529 0.214 18096 11173 1 16 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.254 -1.045 18096 11174 1 16 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.945 -0.230 18096 11175 1 16 . 1 1 10 10 TYR H H 10 8.204 8.204 7.873 0.331 18096 11176 1 16 . 1 1 11 11 THR N N 11 115.545 115.545 115.032 0.513 18096 11177 1 16 . 1 1 11 11 THR HA H 11 3.875 3.875 3.970 -0.095 18096 11178 1 16 . 1 1 11 11 THR C C 11 175.937 175.937 176.855 -0.918 18096 11179 1 16 . 1 1 11 11 THR CA C 11 67.187 67.187 66.468 0.719 18096 11180 1 16 . 1 1 11 11 THR CB C 11 68.579 68.579 68.566 0.013 18096 11181 1 16 . 1 1 11 11 THR H H 11 7.934 7.934 7.798 0.136 18096 11182 1 16 . 1 1 12 12 ILE N N 12 120.096 120.096 119.970 0.126 18096 11183 1 16 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.744 -0.062 18096 11184 1 16 . 1 1 12 12 ILE C C 12 175.863 175.863 177.366 -1.503 18096 11185 1 16 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.624 0.198 18096 11186 1 16 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.642 0.314 18096 11187 1 16 . 1 1 12 12 ILE H H 12 8.172 8.172 7.476 0.696 18096 11188 1 16 . 1 1 13 13 ASN N N 13 114.444 114.444 117.398 -2.954 18096 11189 1 16 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.515 -0.122 18096 11190 1 16 . 1 1 13 13 ASN C C 13 174.880 174.880 175.993 -1.113 18096 11191 1 16 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.351 -0.094 18096 11192 1 16 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.097 1.449 18096 11193 1 16 . 1 1 13 13 ASN H H 13 7.731 7.731 7.630 0.101 18096 11194 1 16 . 1 1 14 14 LEU N N 14 115.306 115.306 119.364 -4.058 18096 11195 1 16 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.303 0.043 18096 11196 1 16 . 1 1 14 14 LEU C C 14 177.427 177.427 178.076 -0.649 18096 11197 1 16 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.476 -0.106 18096 11198 1 16 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.043 -0.277 18096 11199 1 16 . 1 1 14 14 LEU H H 14 7.381 7.381 7.341 0.040 18096 11200 1 16 . 1 1 15 15 ILE N N 15 117.935 117.935 119.579 -1.644 18096 11201 1 16 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.752 -0.154 18096 11202 1 16 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.164 3.288 18096 11203 1 16 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.563 1.118 18096 11204 1 16 . 1 1 15 15 ILE H H 15 8.135 8.135 7.411 0.724 18096 11205 1 16 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.393 -0.347 18096 11206 1 16 . 1 1 17 17 PRO C C 17 177.518 177.518 179.148 -1.630 18096 11207 1 16 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.676 0.969 18096 11208 1 16 . 1 1 17 17 PRO CB C 17 30.966 30.966 31.219 -0.253 18096 11209 1 16 . 1 1 18 18 CYS N N 18 113.411 113.411 117.720 -4.309 18096 11210 1 16 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.142 -0.191 18096 11211 1 16 . 1 1 18 18 CYS C C 18 177.617 177.617 176.933 0.684 18096 11212 1 16 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.929 0.559 18096 11213 1 16 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.105 -0.337 18096 11214 1 16 . 1 1 18 18 CYS H H 18 7.338 7.338 7.640 -0.302 18096 11215 1 16 . 1 1 19 19 VAL N N 19 121.720 121.720 117.219 4.501 18096 11216 1 16 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.892 -0.371 18096 11217 1 16 . 1 1 19 19 VAL C C 19 178.069 178.069 177.770 0.299 18096 11218 1 16 . 1 1 19 19 VAL CA C 19 67.065 67.065 65.599 1.466 18096 11219 1 16 . 1 1 19 19 VAL CB C 19 31.752 31.752 30.597 1.155 18096 11220 1 16 . 1 1 19 19 VAL H H 19 8.587 8.587 7.969 0.618 18096 11221 1 16 . 1 1 20 20 LEU N N 20 121.731 121.731 122.119 -0.388 18096 11222 1 16 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.956 0.065 18096 11223 1 16 . 1 1 20 20 LEU C C 20 177.989 177.989 179.239 -1.250 18096 11224 1 16 . 1 1 20 20 LEU CA C 20 58.649 58.649 57.857 0.792 18096 11225 1 16 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.986 -0.053 18096 11226 1 16 . 1 1 20 20 LEU H H 20 8.344 8.344 7.200 1.144 18096 11227 1 16 . 1 1 21 21 ILE N N 21 117.403 117.403 118.225 -0.822 18096 11228 1 16 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.633 0.036 18096 11229 1 16 . 1 1 21 21 ILE C C 21 176.947 176.947 178.421 -1.474 18096 11230 1 16 . 1 1 21 21 ILE CA C 21 65.356 65.356 64.336 1.020 18096 11231 1 16 . 1 1 21 21 ILE CB C 21 37.918 37.918 36.237 1.681 18096 11232 1 16 . 1 1 21 21 ILE H H 21 8.371 8.371 8.604 -0.233 18096 11233 1 16 . 1 1 22 22 THR N N 22 115.544 115.544 115.955 -0.411 18096 11234 1 16 . 1 1 22 22 THR HA H 22 3.681 3.681 3.850 -0.169 18096 11235 1 16 . 1 1 22 22 THR C C 22 176.073 176.073 176.563 -0.490 18096 11236 1 16 . 1 1 22 22 THR CA C 22 68.152 68.152 67.244 0.908 18096 11237 1 16 . 1 1 22 22 THR CB C 22 68.428 68.428 68.651 -0.223 18096 11238 1 16 . 1 1 22 22 THR H H 22 7.829 7.829 7.659 0.170 18096 11239 1 16 . 1 1 23 23 SER N N 23 116.192 116.192 117.727 -1.535 18096 11240 1 16 . 1 1 23 23 SER HA H 23 4.023 4.023 4.035 -0.012 18096 11241 1 16 . 1 1 23 23 SER C C 23 175.279 175.279 176.493 -1.214 18096 11242 1 16 . 1 1 23 23 SER CA C 23 63.884 63.884 61.147 2.737 18096 11243 1 16 . 1 1 23 23 SER CB C 23 62.971 62.971 62.861 0.110 18096 11244 1 16 . 1 1 23 23 SER H H 23 8.069 8.069 7.662 0.407 18096 11245 1 16 . 1 1 24 24 LEU N N 24 120.855 120.855 121.860 -1.005 18096 11246 1 16 . 1 1 24 24 LEU HA H 24 3.981 3.981 3.965 0.016 18096 11247 1 16 . 1 1 24 24 LEU C C 24 177.542 177.542 178.152 -0.610 18096 11248 1 16 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.530 0.506 18096 11249 1 16 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.716 0.225 18096 11250 1 16 . 1 1 24 24 LEU H H 24 7.858 7.858 7.655 0.203 18096 11251 1 16 . 1 1 25 25 ALA N N 25 119.507 119.507 121.150 -1.643 18096 11252 1 16 . 1 1 25 25 ALA HA H 25 3.940 3.940 3.951 -0.011 18096 11253 1 16 . 1 1 25 25 ALA C C 25 177.915 177.915 179.576 -1.661 18096 11254 1 16 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.085 0.527 18096 11255 1 16 . 1 1 25 25 ALA CB C 25 18.251 18.251 17.863 0.388 18096 11256 1 16 . 1 1 25 25 ALA H H 25 8.141 8.141 7.483 0.658 18096 11257 1 16 . 1 1 26 26 ILE N N 26 115.689 115.689 119.175 -3.486 18096 11258 1 16 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.757 0.041 18096 11259 1 16 . 1 1 26 26 ILE C C 26 177.729 177.729 177.833 -0.104 18096 11260 1 16 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.513 0.827 18096 11261 1 16 . 1 1 26 26 ILE CB C 26 37.830 37.830 37.792 0.038 18096 11262 1 16 . 1 1 26 26 ILE H H 26 8.012 8.012 7.045 0.967 18096 11263 1 16 . 1 1 27 27 LEU N N 27 118.567 118.567 120.537 -1.970 18096 11264 1 16 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.958 0.048 18096 11265 1 16 . 1 1 27 27 LEU C C 27 178.364 178.364 178.974 -0.610 18096 11266 1 16 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.763 -0.026 18096 11267 1 16 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.575 0.262 18096 11268 1 16 . 1 1 27 27 LEU H H 27 8.045 8.045 8.358 -0.313 18096 11269 1 16 . 1 1 28 28 VAL N N 28 113.720 113.720 119.001 -5.281 18096 11270 1 16 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.707 -0.132 18096 11271 1 16 . 1 1 28 28 VAL C C 28 177.809 177.809 177.615 0.194 18096 11272 1 16 . 1 1 28 28 VAL CA C 28 66.013 66.013 65.685 0.328 18096 11273 1 16 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.460 0.590 18096 11274 1 16 . 1 1 28 28 VAL H H 28 8.008 8.008 7.408 0.600 18096 11275 1 16 . 1 1 29 29 PHE N N 29 115.458 115.458 116.892 -1.434 18096 11276 1 16 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.221 -0.012 18096 11277 1 16 . 1 1 29 29 PHE C C 29 176.366 176.366 177.599 -1.233 18096 11278 1 16 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.592 -0.734 18096 11279 1 16 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.790 0.807 18096 11280 1 16 . 1 1 29 29 PHE H H 29 7.915 7.915 7.528 0.387 18096 11281 1 16 . 1 1 30 30 TYR N N 30 115.649 115.649 115.915 -0.266 18096 11282 1 16 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.495 -0.254 18096 11283 1 16 . 1 1 30 30 TYR C C 30 175.388 175.388 176.461 -1.073 18096 11284 1 16 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.139 -0.753 18096 11285 1 16 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.434 0.206 18096 11286 1 16 . 1 1 30 30 TYR H H 30 8.002 8.002 8.099 -0.097 18096 11287 1 16 . 1 1 31 31 LEU N N 31 121.144 121.144 120.248 0.896 18096 11288 1 16 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.715 -0.267 18096 11289 1 16 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.587 1.562 18096 11290 1 16 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.531 -1.195 18096 11291 1 16 . 1 1 31 31 LEU H H 31 7.514 7.514 7.689 -0.175 18096 11292 1 16 . 1 1 32 32 PRO C C 32 176.530 176.530 176.940 -0.410 18096 11293 1 16 . 1 1 33 33 SER N N 33 115.448 115.448 119.298 -3.850 18096 11294 1 16 . 1 1 33 33 SER HA H 33 4.317 4.317 4.411 -0.094 18096 11295 1 16 . 1 1 33 33 SER C C 33 174.174 174.174 174.257 -0.083 18096 11296 1 16 . 1 1 33 33 SER CA C 33 59.954 59.954 58.425 1.529 18096 11297 1 16 . 1 1 33 33 SER H H 33 8.370 8.370 8.890 -0.520 18096 11298 1 16 . 1 1 34 34 ASP N N 34 119.694 119.694 121.768 -2.074 18096 11299 1 16 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.879 -0.294 18096 11300 1 16 . 1 1 34 34 ASP C C 34 175.971 175.971 175.256 0.715 18096 11301 1 16 . 1 1 34 34 ASP CA C 34 54.442 54.442 53.422 1.020 18096 11302 1 16 . 1 1 34 34 ASP CB C 34 41.240 41.240 43.572 -2.332 18096 11303 1 16 . 1 1 34 34 ASP H H 34 8.209 8.209 7.779 0.430 18096 11304 1 16 . 1 1 35 35 CYS N N 35 114.872 114.872 118.233 -3.361 18096 11305 1 16 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.674 -0.471 18096 11306 1 16 . 1 1 35 35 CYS C C 35 175.147 175.147 176.044 -0.897 18096 11307 1 16 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.795 2.326 18096 11308 1 16 . 1 1 35 35 CYS CB C 35 27.886 27.886 29.343 -1.456 18096 11309 1 16 . 1 1 35 35 CYS H H 35 7.750 7.750 8.492 -0.742 18096 11310 1 16 . 1 1 36 36 GLY N N 36 110.059 110.059 108.577 1.482 18096 11311 1 16 . 1 1 36 36 GLY C C 36 174.391 174.391 174.718 -0.327 18096 11312 1 16 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.383 0.904 18096 11313 1 16 . 1 1 36 36 GLY H H 36 8.357 8.357 8.086 0.271 18096 11314 1 16 . 1 1 37 37 GLU N N 37 121.785 121.785 120.586 1.199 18096 11315 1 16 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.045 0.021 18096 11316 1 16 . 1 1 37 37 GLU C C 37 176.536 176.536 178.282 -1.746 18096 11317 1 16 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.938 -0.412 18096 11318 1 16 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.588 0.142 18096 11319 1 16 . 1 1 37 37 GLU H H 37 8.359 8.359 8.636 -0.277 18096 11320 1 16 . 1 1 38 38 LYS N N 38 123.927 123.927 119.199 4.728 18096 11321 1 16 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.864 0.259 18096 11322 1 16 . 1 1 38 38 LYS C C 38 177.544 177.544 178.803 -1.259 18096 11323 1 16 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.070 -0.501 18096 11324 1 16 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.566 0.111 18096 11325 1 16 . 1 1 38 38 LYS H H 38 8.226 8.226 8.266 -0.040 18096 11326 1 16 . 1 1 39 39 MET N N 39 117.932 117.932 118.053 -0.121 18096 11327 1 16 . 1 1 39 39 MET HA H 39 4.135 4.135 4.183 -0.048 18096 11328 1 16 . 1 1 39 39 MET C C 39 178.602 178.602 178.553 0.049 18096 11329 1 16 . 1 1 39 39 MET CA C 39 58.851 58.851 59.260 -0.409 18096 11330 1 16 . 1 1 39 39 MET CB C 39 32.220 32.220 32.193 0.027 18096 11331 1 16 . 1 1 39 39 MET H H 39 8.262 8.262 8.102 0.160 18096 11332 1 16 . 1 1 40 40 THR N N 40 117.201 117.201 115.653 1.548 18096 11333 1 16 . 1 1 40 40 THR HA H 40 3.673 3.673 3.991 -0.318 18096 11334 1 16 . 1 1 40 40 THR C C 40 175.927 175.927 176.855 -0.928 18096 11335 1 16 . 1 1 40 40 THR CA C 40 67.352 67.352 66.487 0.865 18096 11336 1 16 . 1 1 40 40 THR H H 40 8.341 8.341 7.625 0.716 18096 11337 1 16 . 1 1 41 41 LEU N N 41 120.040 120.040 122.347 -2.307 18096 11338 1 16 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.083 -0.031 18096 11339 1 16 . 1 1 41 41 LEU C C 41 177.809 177.809 177.723 0.086 18096 11340 1 16 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.755 0.632 18096 11341 1 16 . 1 1 41 41 LEU H H 41 8.181 8.181 7.770 0.411 18096 11342 1 16 . 1 1 42 42 CYS N N 42 117.556 117.556 118.498 -0.942 18096 11343 1 16 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.036 -0.084 18096 11344 1 16 . 1 1 42 42 CYS C C 42 176.460 176.460 177.129 -0.669 18096 11345 1 16 . 1 1 42 42 CYS CA C 42 64.496 64.496 62.918 1.578 18096 11346 1 16 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.114 -0.281 18096 11347 1 16 . 1 1 42 42 CYS H H 42 7.949 7.949 7.874 0.075 18096 11348 1 16 . 1 1 43 43 ILE N N 43 117.336 117.336 119.199 -1.863 18096 11349 1 16 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.886 -0.257 18096 11350 1 16 . 1 1 43 43 ILE C C 43 177.256 177.256 178.237 -0.981 18096 11351 1 16 . 1 1 43 43 ILE CA C 43 65.075 65.075 63.925 1.150 18096 11352 1 16 . 1 1 43 43 ILE CB C 43 37.944 37.944 36.880 1.064 18096 11353 1 16 . 1 1 43 43 ILE H H 43 8.347 8.347 7.700 0.647 18096 11354 1 16 . 1 1 44 44 SER N N 44 116.243 116.243 116.532 -0.289 18096 11355 1 16 . 1 1 44 44 SER HA H 44 4.083 4.083 4.228 -0.145 18096 11356 1 16 . 1 1 44 44 SER C C 44 176.305 176.305 176.913 -0.608 18096 11357 1 16 . 1 1 44 44 SER CA C 44 63.348 63.348 62.285 1.063 18096 11358 1 16 . 1 1 44 44 SER CB C 44 62.954 62.954 62.957 -0.003 18096 11359 1 16 . 1 1 44 44 SER H H 44 8.064 8.064 7.291 0.773 18096 11360 1 16 . 1 1 45 45 VAL N N 45 120.333 120.333 122.086 -1.753 18096 11361 1 16 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.764 -0.248 18096 11362 1 16 . 1 1 45 45 VAL C C 45 177.247 177.247 177.247 0.000 18096 11363 1 16 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.516 1.422 18096 11364 1 16 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.889 -0.129 18096 11365 1 16 . 1 1 45 45 VAL H H 45 8.036 8.036 8.025 0.011 18096 11366 1 16 . 1 1 46 46 LEU N N 46 119.430 119.430 120.286 -0.856 18096 11367 1 16 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.054 -0.106 18096 11368 1 16 . 1 1 46 46 LEU C C 46 180.032 180.032 178.530 1.502 18096 11369 1 16 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.229 0.297 18096 11370 1 16 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.905 0.080 18096 11371 1 16 . 1 1 46 46 LEU H H 46 7.959 7.959 7.412 0.547 18096 11372 1 16 . 1 1 47 47 LEU N N 47 121.110 121.110 119.570 1.540 18096 11373 1 16 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.945 0.053 18096 11374 1 16 . 1 1 47 47 LEU C C 47 177.985 177.985 178.633 -0.648 18096 11375 1 16 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.580 0.859 18096 11376 1 16 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.551 0.495 18096 11377 1 16 . 1 1 47 47 LEU H H 47 8.695 8.695 7.537 1.158 18096 11378 1 16 . 1 1 48 48 ALA N N 48 121.251 121.251 122.241 -0.990 18096 11379 1 16 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.806 0.039 18096 11380 1 16 . 1 1 48 48 ALA C C 48 178.834 178.834 179.517 -0.683 18096 11381 1 16 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.128 0.581 18096 11382 1 16 . 1 1 48 48 ALA CB C 48 18.133 18.133 17.944 0.189 18096 11383 1 16 . 1 1 48 48 ALA H H 48 8.272 8.272 7.602 0.670 18096 11384 1 16 . 1 1 49 49 LEU N N 49 116.290 116.290 118.174 -1.884 18096 11385 1 16 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.175 -0.178 18096 11386 1 16 . 1 1 49 49 LEU C C 49 178.068 178.068 179.084 -1.016 18096 11387 1 16 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.888 0.420 18096 11388 1 16 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.077 -0.131 18096 11389 1 16 . 1 1 49 49 LEU H H 49 8.526 8.526 7.756 0.770 18096 11390 1 16 . 1 1 50 50 THR N N 50 115.495 115.495 115.453 0.042 18096 11391 1 16 . 1 1 50 50 THR HA H 50 3.692 3.692 3.981 -0.289 18096 11392 1 16 . 1 1 50 50 THR C C 50 176.061 176.061 176.376 -0.315 18096 11393 1 16 . 1 1 50 50 THR CA C 50 68.786 68.786 66.454 2.333 18096 11394 1 16 . 1 1 50 50 THR H H 50 7.996 7.996 7.518 0.478 18096 11395 1 16 . 1 1 51 51 VAL N N 51 119.977 119.977 121.754 -1.777 18096 11396 1 16 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.581 -0.085 18096 11397 1 16 . 1 1 51 51 VAL C C 51 177.063 177.063 178.299 -1.236 18096 11398 1 16 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.831 0.532 18096 11399 1 16 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.052 0.567 18096 11400 1 16 . 1 1 51 51 VAL H H 51 8.145 8.145 8.031 0.114 18096 11401 1 16 . 1 1 52 52 PHE N N 52 118.836 118.836 119.094 -0.258 18096 11402 1 16 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.262 -0.160 18096 11403 1 16 . 1 1 52 52 PHE C C 52 176.721 176.721 177.849 -1.128 18096 11404 1 16 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.985 -0.346 18096 11405 1 16 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.135 1.194 18096 11406 1 16 . 1 1 52 52 PHE H H 52 8.354 8.354 7.720 0.634 18096 11407 1 16 . 1 1 53 53 LEU N N 53 117.271 117.271 120.269 -2.998 18096 11408 1 16 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.958 -0.086 18096 11409 1 16 . 1 1 53 53 LEU C C 53 179.184 179.184 179.023 0.161 18096 11410 1 16 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.289 -0.432 18096 11411 1 16 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.983 0.011 18096 11412 1 16 . 1 1 53 53 LEU H H 53 8.438 8.438 7.793 0.645 18096 11413 1 16 . 1 1 54 54 LEU N N 54 119.310 119.310 118.732 0.578 18096 11414 1 16 . 1 1 54 54 LEU HA H 54 4.007 4.007 4.043 -0.036 18096 11415 1 16 . 1 1 54 54 LEU C C 54 179.224 179.224 178.753 0.471 18096 11416 1 16 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.581 0.507 18096 11417 1 16 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.644 0.385 18096 11418 1 16 . 1 1 54 54 LEU H H 54 8.147 8.147 7.591 0.556 18096 11419 1 16 . 1 1 55 55 LEU N N 55 118.400 118.400 120.171 -1.771 18096 11420 1 16 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.888 0.212 18096 11421 1 16 . 1 1 55 55 LEU C C 55 178.974 178.974 179.147 -0.173 18096 11422 1 16 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.694 -0.834 18096 11423 1 16 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.092 -0.120 18096 11424 1 16 . 1 1 55 55 LEU H H 55 8.096 8.096 7.647 0.449 18096 11425 1 16 . 1 1 56 56 ILE N N 56 115.919 115.919 117.557 -1.638 18096 11426 1 16 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.115 -0.259 18096 11427 1 16 . 1 1 56 56 ILE C C 56 176.763 176.763 178.354 -1.591 18096 11428 1 16 . 1 1 56 56 ILE CA C 56 63.511 63.511 64.165 -0.654 18096 11429 1 16 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.923 -0.234 18096 11430 1 16 . 1 1 56 56 ILE H H 56 8.028 8.028 7.828 0.200 18096 11431 1 16 . 1 1 57 57 SER N N 57 114.862 114.862 115.212 -0.350 18096 11432 1 16 . 1 1 57 57 SER HA H 57 4.178 4.178 4.248 -0.070 18096 11433 1 16 . 1 1 57 57 SER C C 57 175.258 175.258 175.645 -0.387 18096 11434 1 16 . 1 1 57 57 SER CA C 57 60.946 60.946 61.274 -0.328 18096 11435 1 16 . 1 1 57 57 SER CB C 57 63.558 63.558 63.359 0.199 18096 11436 1 16 . 1 1 57 57 SER H H 57 7.689 7.689 8.223 -0.534 18096 11437 1 16 . 1 1 58 58 LYS N N 58 118.080 118.080 117.340 0.740 18096 11438 1 16 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.360 -0.073 18096 11439 1 16 . 1 1 58 58 LYS C C 58 176.668 176.668 177.222 -0.554 18096 11440 1 16 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.181 -1.074 18096 11441 1 16 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.332 -1.268 18096 11442 1 16 . 1 1 58 58 LYS H H 58 7.595 7.595 7.546 0.049 18096 11443 1 16 . 1 1 59 59 ILE N N 59 116.926 116.926 123.229 -6.303 18096 11444 1 16 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.242 -0.208 18096 11445 1 16 . 1 1 59 59 ILE C C 59 175.226 175.226 174.101 1.125 18096 11446 1 16 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.669 1.715 18096 11447 1 16 . 1 1 59 59 ILE CB C 59 38.073 38.073 39.857 -1.784 18096 11448 1 16 . 1 1 59 59 ILE H H 59 7.706 7.706 7.452 0.254 18096 11449 1 16 . 1 1 60 60 VAL N N 60 119.235 119.235 123.542 -4.307 18096 11450 1 16 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.649 -0.323 18096 11451 1 16 . 1 1 60 60 VAL CA C 60 59.747 59.747 57.766 1.981 18096 11452 1 16 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.425 0.841 18096 11453 1 16 . 1 1 60 60 VAL H H 60 7.586 7.586 8.135 -0.549 18096 11454 1 16 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.775 -0.131 18096 11455 1 16 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.446 0.075 18096 11456 1 16 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.835 0.301 18096 11457 1 16 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.359 0.132 18096 11458 1 16 . 1 1 62 62 PRO C C 62 176.912 176.912 176.529 0.383 18096 11459 1 16 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.143 -0.900 18096 11460 1 16 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.815 0.063 18096 11461 1 16 . 1 1 63 63 THR N N 63 111.607 111.607 112.968 -1.361 18096 11462 1 16 . 1 1 63 63 THR HA H 63 4.447 4.447 4.313 0.134 18096 11463 1 16 . 1 1 63 63 THR C C 63 174.725 174.725 174.510 0.215 18096 11464 1 16 . 1 1 63 63 THR CA C 63 61.245 61.245 61.646 -0.401 18096 11465 1 16 . 1 1 63 63 THR CB C 63 69.807 69.807 67.569 2.238 18096 11466 1 16 . 1 1 63 63 THR H H 63 7.915 7.915 7.976 -0.061 18096 11467 1 16 . 1 1 64 64 SER N N 64 116.516 116.516 119.740 -3.224 18096 11468 1 16 . 1 1 64 64 SER HA H 64 4.411 4.411 4.721 -0.310 18096 11469 1 16 . 1 1 64 64 SER C C 64 174.580 174.580 174.871 -0.291 18096 11470 1 16 . 1 1 64 64 SER CA C 64 58.608 58.608 58.126 0.482 18096 11471 1 16 . 1 1 64 64 SER CB C 64 63.742 63.742 62.959 0.783 18096 11472 1 16 . 1 1 64 64 SER H H 64 8.127 8.127 8.084 0.043 18096 11473 1 16 . 1 1 65 65 SER N N 65 116.921 116.921 114.951 1.970 18096 11474 1 16 . 1 1 65 65 SER HA H 65 4.453 4.453 4.699 -0.246 18096 11475 1 16 . 1 1 65 65 SER C C 65 174.100 174.100 173.959 0.141 18096 11476 1 16 . 1 1 65 65 SER CA C 65 58.584 58.584 58.199 0.385 18096 11477 1 16 . 1 1 65 65 SER CB C 65 63.668 63.668 64.192 -0.524 18096 11478 1 16 . 1 1 65 65 SER H H 65 8.169 8.169 7.963 0.206 18096 11479 1 16 . 1 1 66 66 ASP N N 66 120.478 120.478 120.640 -0.162 18096 11480 1 16 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.716 -0.092 18096 11481 1 16 . 1 1 66 66 ASP C C 66 175.730 175.730 174.503 1.227 18096 11482 1 16 . 1 1 66 66 ASP CA C 66 54.245 54.245 53.223 1.022 18096 11483 1 16 . 1 1 66 66 ASP CB C 66 41.195 41.195 42.200 -1.005 18096 11484 1 16 . 1 1 66 66 ASP H H 66 8.154 8.154 7.817 0.337 18096 11485 1 16 . 1 1 67 67 SER N N 67 115.159 115.159 116.128 -0.969 18096 11486 1 16 . 1 1 67 67 SER HA H 67 4.528 4.528 4.303 0.226 18096 11487 1 16 . 1 1 67 67 SER CA C 67 56.493 56.493 57.958 -1.465 18096 11488 1 16 . 1 1 67 67 SER CB C 67 63.604 63.604 62.813 0.791 18096 11489 1 16 . 1 1 67 67 SER H H 67 7.930 7.930 8.356 -0.426 18096 11490 1 16 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.549 -0.154 18096 11491 1 16 . 1 1 68 68 PRO C C 68 176.652 176.652 176.406 0.246 18096 11492 1 16 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.681 0.912 18096 11493 1 16 . 1 1 68 68 PRO CB C 68 31.352 31.352 33.028 -1.676 18096 11494 1 16 . 1 1 69 69 SER N N 69 115.859 115.859 112.653 3.206 18096 11495 1 16 . 1 1 69 69 SER HA H 69 4.436 4.436 4.188 0.248 18096 11496 1 16 . 1 1 69 69 SER C C 69 174.611 174.611 175.724 -1.113 18096 11497 1 16 . 1 1 69 69 SER CA C 69 58.264 58.264 59.050 -0.786 18096 11498 1 16 . 1 1 69 69 SER CB C 69 63.919 63.919 64.315 -0.396 18096 11499 1 16 . 1 1 69 69 SER H H 69 8.256 8.256 8.232 0.024 18096 11500 1 16 . 1 1 70 70 VAL N N 70 117.241 117.241 119.689 -2.448 18096 11501 1 16 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.889 -0.087 18096 11502 1 16 . 1 1 70 70 VAL C C 70 177.772 177.772 177.466 0.306 18096 11503 1 16 . 1 1 70 70 VAL CA C 70 66.644 66.644 66.061 0.583 18096 11504 1 16 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.245 0.651 18096 11505 1 16 . 1 1 70 70 VAL H H 70 8.211 8.211 8.459 -0.248 18096 11506 1 16 . 1 1 71 71 GLY N N 71 106.999 106.999 107.273 -0.274 18096 11507 1 16 . 1 1 71 71 GLY C C 71 175.551 175.551 175.609 -0.058 18096 11508 1 16 . 1 1 71 71 GLY CA C 71 47.245 47.245 45.989 1.256 18096 11509 1 16 . 1 1 71 71 GLY H H 71 8.566 8.566 8.396 0.170 18096 11510 1 16 . 1 1 72 72 GLU N N 72 121.376 121.376 122.721 -1.345 18096 11511 1 16 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.924 -0.035 18096 11512 1 16 . 1 1 72 72 GLU C C 72 178.495 178.495 178.587 -0.092 18096 11513 1 16 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.277 0.841 18096 11514 1 16 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.307 0.283 18096 11515 1 16 . 1 1 72 72 GLU H H 72 7.919 7.919 7.626 0.293 18096 11516 1 16 . 1 1 73 73 TYR N N 73 117.643 117.643 117.815 -0.172 18096 11517 1 16 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.244 -0.182 18096 11518 1 16 . 1 1 73 73 TYR C C 73 179.921 179.921 178.316 1.605 18096 11519 1 16 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.821 2.309 18096 11520 1 16 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.842 1.075 18096 11521 1 16 . 1 1 73 73 TYR H H 73 8.095 8.095 7.597 0.498 18096 11522 1 16 . 1 1 74 74 LEU N N 74 121.712 121.712 120.453 1.259 18096 11523 1 16 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.892 0.171 18096 11524 1 16 . 1 1 74 74 LEU C C 74 178.385 178.385 178.873 -0.488 18096 11525 1 16 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.969 0.505 18096 11526 1 16 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.130 0.807 18096 11527 1 16 . 1 1 74 74 LEU H H 74 8.615 8.615 7.667 0.948 18096 11528 1 16 . 1 1 75 75 MET N N 75 119.087 119.087 118.741 0.346 18096 11529 1 16 . 1 1 75 75 MET HA H 75 4.056 4.056 4.100 -0.044 18096 11530 1 16 . 1 1 75 75 MET C C 75 177.851 177.851 178.946 -1.095 18096 11531 1 16 . 1 1 75 75 MET CA C 75 59.166 59.166 59.256 -0.090 18096 11532 1 16 . 1 1 75 75 MET CB C 75 32.093 32.093 32.188 -0.095 18096 11533 1 16 . 1 1 75 75 MET H H 75 8.362 8.362 7.944 0.418 18096 11534 1 16 . 1 1 76 76 PHE N N 76 117.788 117.788 117.524 0.264 18096 11535 1 16 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.308 -0.203 18096 11536 1 16 . 1 1 76 76 PHE C C 76 177.305 177.305 177.771 -0.466 18096 11537 1 16 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.892 0.484 18096 11538 1 16 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.332 0.629 18096 11539 1 16 . 1 1 76 76 PHE H H 76 8.471 8.471 8.057 0.414 18096 11540 1 16 . 1 1 77 77 THR N N 77 115.298 115.298 117.227 -1.929 18096 11541 1 16 . 1 1 77 77 THR HA H 77 3.673 3.673 4.109 -0.436 18096 11542 1 16 . 1 1 77 77 THR C C 77 176.057 176.057 176.692 -0.635 18096 11543 1 16 . 1 1 77 77 THR CA C 77 68.423 68.423 67.315 1.108 18096 11544 1 16 . 1 1 77 77 THR CB C 77 68.204 68.204 68.830 -0.626 18096 11545 1 16 . 1 1 77 77 THR H H 77 8.179 8.179 8.445 -0.266 18096 11546 1 16 . 1 1 78 78 MET N N 78 119.204 119.204 120.595 -1.391 18096 11547 1 16 . 1 1 78 78 MET HA H 78 4.092 4.092 4.151 -0.059 18096 11548 1 16 . 1 1 78 78 MET C C 78 179.421 179.421 178.283 1.138 18096 11549 1 16 . 1 1 78 78 MET CA C 78 58.810 58.810 59.637 -0.827 18096 11550 1 16 . 1 1 78 78 MET CB C 78 32.176 32.176 31.906 0.270 18096 11551 1 16 . 1 1 78 78 MET H H 78 8.310 8.310 8.506 -0.196 18096 11552 1 16 . 1 1 79 79 VAL N N 79 122.115 122.115 119.950 2.165 18096 11553 1 16 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.716 -0.224 18096 11554 1 16 . 1 1 79 79 VAL C C 79 176.866 176.866 178.129 -1.263 18096 11555 1 16 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.700 0.674 18096 11556 1 16 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.143 0.472 18096 11557 1 16 . 1 1 79 79 VAL H H 79 8.239 8.239 7.607 0.632 18096 11558 1 16 . 1 1 80 80 LEU N N 80 120.240 120.240 120.492 -0.252 18096 11559 1 16 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.909 0.030 18096 11560 1 16 . 1 1 80 80 LEU C C 80 180.078 180.078 179.651 0.427 18096 11561 1 16 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.764 0.833 18096 11562 1 16 . 1 1 80 80 LEU CB C 80 41.941 41.941 40.764 1.177 18096 11563 1 16 . 1 1 80 80 LEU H H 80 8.058 8.058 7.447 0.611 18096 11564 1 16 . 1 1 81 81 VAL N N 81 120.008 120.008 118.548 1.460 18096 11565 1 16 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.688 -0.230 18096 11566 1 16 . 1 1 81 81 VAL C C 81 177.670 177.670 178.333 -0.663 18096 11567 1 16 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.346 -0.009 18096 11568 1 16 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.154 0.461 18096 11569 1 16 . 1 1 81 81 VAL H H 81 8.800 8.800 8.675 0.125 18096 11570 1 16 . 1 1 82 82 THR N N 82 116.872 116.872 117.081 -0.209 18096 11571 1 16 . 1 1 82 82 THR HA H 82 3.676 3.676 3.967 -0.291 18096 11572 1 16 . 1 1 82 82 THR C C 82 176.268 176.268 176.828 -0.560 18096 11573 1 16 . 1 1 82 82 THR CA C 82 68.590 68.590 67.147 1.443 18096 11574 1 16 . 1 1 82 82 THR CB C 82 68.468 68.468 68.786 -0.318 18096 11575 1 16 . 1 1 82 82 THR H H 82 8.109 8.109 8.007 0.102 18096 11576 1 16 . 1 1 83 83 PHE N N 83 119.777 119.777 119.977 -0.200 18096 11577 1 16 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.237 -0.156 18096 11578 1 16 . 1 1 83 83 PHE C C 83 178.015 178.015 177.531 0.484 18096 11579 1 16 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.487 0.125 18096 11580 1 16 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.630 0.056 18096 11581 1 16 . 1 1 83 83 PHE H H 83 8.754 8.754 7.878 0.876 18096 11582 1 16 . 1 1 84 84 SER N N 84 117.769 117.769 115.559 2.210 18096 11583 1 16 . 1 1 84 84 SER HA H 84 4.091 4.091 4.367 -0.276 18096 11584 1 16 . 1 1 84 84 SER C C 84 175.899 175.899 176.826 -0.927 18096 11585 1 16 . 1 1 84 84 SER CA C 84 63.269 63.269 61.722 1.547 18096 11586 1 16 . 1 1 84 84 SER CB C 84 62.962 62.962 63.205 -0.242 18096 11587 1 16 . 1 1 84 84 SER H H 84 8.335 8.335 7.885 0.450 18096 11588 1 16 . 1 1 85 85 ILE N N 85 122.986 122.986 122.110 0.876 18096 11589 1 16 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.911 -0.262 18096 11590 1 16 . 1 1 85 85 ILE C C 85 177.778 177.778 178.022 -0.244 18096 11591 1 16 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.806 1.698 18096 11592 1 16 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.067 1.048 18096 11593 1 16 . 1 1 85 85 ILE H H 85 8.187 8.187 7.631 0.556 18096 11594 1 16 . 1 1 86 86 VAL N N 86 117.289 117.289 119.200 -1.911 18096 11595 1 16 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.577 -0.068 18096 11596 1 16 . 1 1 86 86 VAL C C 86 177.816 177.816 178.460 -0.644 18096 11597 1 16 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.715 0.332 18096 11598 1 16 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.588 1.009 18096 11599 1 16 . 1 1 86 86 VAL H H 86 8.367 8.367 7.689 0.678 18096 11600 1 16 . 1 1 87 87 THR N N 87 116.788 116.788 115.100 1.688 18096 11601 1 16 . 1 1 87 87 THR HA H 87 3.758 3.758 3.908 -0.150 18096 11602 1 16 . 1 1 87 87 THR C C 87 176.095 176.095 176.784 -0.689 18096 11603 1 16 . 1 1 87 87 THR CA C 87 67.248 67.248 66.489 0.759 18096 11604 1 16 . 1 1 87 87 THR H H 87 8.007 8.007 7.867 0.140 18096 11605 1 16 . 1 1 88 88 SER N N 88 116.157 116.157 118.749 -2.592 18096 11606 1 16 . 1 1 88 88 SER HA H 88 4.018 4.018 4.305 -0.287 18096 11607 1 16 . 1 1 88 88 SER C C 88 174.932 174.932 176.185 -1.253 18096 11608 1 16 . 1 1 88 88 SER CA C 88 62.717 62.717 61.967 0.750 18096 11609 1 16 . 1 1 88 88 SER CB C 88 62.954 62.954 62.486 0.468 18096 11610 1 16 . 1 1 88 88 SER H H 88 7.662 7.662 7.757 -0.095 18096 11611 1 16 . 1 1 89 89 VAL N N 89 117.956 117.956 121.691 -3.735 18096 11612 1 16 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.706 -0.190 18096 11613 1 16 . 1 1 89 89 VAL CA C 89 67.266 67.266 66.514 0.752 18096 11614 1 16 . 1 1 89 89 VAL H H 89 8.274 8.274 7.479 0.795 18096 11615 1 16 . 1 1 90 90 CYS N N 90 116.319 116.319 118.136 -1.817 18096 11616 1 16 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.225 0.004 18096 11617 1 16 . 1 1 90 90 CYS C C 90 175.174 175.174 177.040 -1.866 18096 11618 1 16 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.560 -0.942 18096 11619 1 16 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.562 -0.771 18096 11620 1 16 . 1 1 90 90 CYS H H 90 7.654 7.654 7.724 -0.070 18096 11621 1 16 . 1 1 91 91 VAL N N 91 115.534 115.534 118.714 -3.180 18096 11622 1 16 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.755 -0.129 18096 11623 1 16 . 1 1 91 91 VAL C C 91 176.038 176.038 177.621 -1.583 18096 11624 1 16 . 1 1 91 91 VAL CA C 91 63.608 63.608 66.245 -2.637 18096 11625 1 16 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.782 0.141 18096 11626 1 16 . 1 1 91 91 VAL H H 91 7.760 7.760 7.827 -0.067 18096 11627 1 16 . 1 1 92 92 LEU N N 92 119.713 119.713 118.570 1.143 18096 11628 1 16 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.160 0.080 18096 11629 1 16 . 1 1 92 92 LEU C C 92 176.769 176.769 177.023 -0.254 18096 11630 1 16 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.742 -1.152 18096 11631 1 16 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.556 -0.624 18096 11632 1 16 . 1 1 92 92 LEU H H 92 7.732 7.732 7.486 0.246 18096 11633 1 16 . 1 1 93 93 ASN N N 93 117.817 117.817 113.386 4.431 18096 11634 1 16 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.838 -0.162 18096 11635 1 16 . 1 1 93 93 ASN C C 93 174.955 174.955 173.295 1.660 18096 11636 1 16 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.390 0.865 18096 11637 1 16 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.754 -0.246 18096 11638 1 16 . 1 1 93 93 ASN H H 93 7.916 7.916 7.972 -0.056 18096 11639 1 16 . 1 1 94 94 VAL N N 94 118.650 118.650 121.670 -3.020 18096 11640 1 16 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.466 -0.442 18096 11641 1 16 . 1 1 94 94 VAL C C 94 175.740 175.740 174.955 0.785 18096 11642 1 16 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.604 0.928 18096 11643 1 16 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.800 -1.168 18096 11644 1 16 . 1 1 94 94 VAL H H 94 7.730 7.730 8.190 -0.460 18096 11645 1 16 . 1 1 95 95 HIS N N 95 121.293 121.293 124.957 -3.664 18096 11646 1 16 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.888 -0.269 18096 11647 1 16 . 1 1 95 95 HIS C C 95 174.146 174.146 173.719 0.427 18096 11648 1 16 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.663 -0.081 18096 11649 1 16 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.645 -1.889 18096 11650 1 16 . 1 1 95 95 HIS H H 95 8.341 8.341 8.605 -0.264 18096 11651 1 16 . 1 1 96 96 HIS N N 96 122.728 122.728 119.457 3.271 18096 11652 1 16 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.413 0.222 18096 11653 1 16 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.562 0.020 18096 11654 1 16 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.592 0.181 18096 11655 1 16 . 1 1 96 96 HIS H H 96 8.333 8.333 8.792 -0.459 18096 11656 1 16 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.291 0.004 18096 11657 1 16 . 1 1 97 97 ARG C C 97 175.776 175.776 175.455 0.321 18096 11658 1 16 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.599 -0.369 18096 11659 1 16 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.106 -0.076 18096 11660 1 16 . 1 1 98 98 SER N N 98 118.439 118.439 121.206 -2.767 18096 11661 1 16 . 1 1 98 98 SER HA H 98 4.736 4.736 4.767 -0.031 18096 11662 1 16 . 1 1 98 98 SER CA C 98 56.614 56.614 57.022 -0.408 18096 11663 1 16 . 1 1 98 98 SER CB C 98 63.622 63.622 62.750 0.872 18096 11664 1 16 . 1 1 98 98 SER H H 98 8.250 8.250 8.262 -0.012 18096 11665 1 16 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.363 0.031 18096 11666 1 16 . 1 1 99 99 PRO C C 99 176.879 176.879 176.502 0.377 18096 11667 1 16 . 1 1 99 99 PRO CA C 99 63.697 63.697 63.763 -0.066 18096 11668 1 16 . 1 1 99 99 PRO CB C 99 32.046 32.046 31.990 0.056 18096 11669 1 16 . 1 1 100 100 GLU N N 100 120.297 120.297 118.006 2.291 18096 11670 1 16 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.193 0.106 18096 11671 1 16 . 1 1 100 100 GLU C C 100 176.576 176.576 176.896 -0.320 18096 11672 1 16 . 1 1 100 100 GLU CA C 100 56.467 56.467 56.375 0.092 18096 11673 1 16 . 1 1 100 100 GLU CB C 100 29.944 29.944 29.748 0.196 18096 11674 1 16 . 1 1 100 100 GLU H H 100 8.391 8.391 8.418 -0.027 18096 11675 1 16 . 1 1 101 101 THR N N 101 114.144 114.144 116.727 -2.583 18096 11676 1 16 . 1 1 101 101 THR HA H 101 4.280 4.280 4.240 0.040 18096 11677 1 16 . 1 1 101 101 THR C C 101 174.515 174.515 175.113 -0.598 18096 11678 1 16 . 1 1 101 101 THR CA C 101 61.975 61.975 63.415 -1.440 18096 11679 1 16 . 1 1 101 101 THR CB C 101 69.817 69.817 69.187 0.630 18096 11680 1 16 . 1 1 101 101 THR H H 101 7.946 7.946 8.135 -0.189 18096 11681 1 16 . 1 1 102 102 HIS N N 102 120.429 120.429 121.753 -1.324 18096 11682 1 16 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.778 -0.028 18096 11683 1 16 . 1 1 102 102 HIS C C 102 174.764 174.764 175.209 -0.445 18096 11684 1 16 . 1 1 102 102 HIS CA C 102 55.685 55.685 54.734 0.951 18096 11685 1 16 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.553 -1.308 18096 11686 1 16 . 1 1 102 102 HIS H H 102 8.459 8.459 7.991 0.468 18096 11687 1 16 . 1 1 103 103 THR N N 103 114.319 114.319 118.737 -4.418 18096 11688 1 16 . 1 1 103 103 THR HA H 103 4.345 4.345 4.307 0.038 18096 11689 1 16 . 1 1 103 103 THR C C 103 175.087 175.087 175.353 -0.266 18096 11690 1 16 . 1 1 103 103 THR CA C 103 61.976 61.976 62.308 -0.332 18096 11691 1 16 . 1 1 103 103 THR CB C 103 69.831 69.831 69.454 0.377 18096 11692 1 16 . 1 1 103 103 THR H H 103 8.068 8.068 8.424 -0.356 18096 11693 1 16 . 1 1 104 104 GLY N N 104 111.143 111.143 108.932 2.211 18096 11694 1 16 . 1 1 104 104 GLY C C 104 174.757 174.757 173.736 1.021 18096 11695 1 16 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.679 0.923 18096 11696 1 16 . 1 1 104 104 GLY H H 104 8.389 8.389 8.644 -0.255 18096 11697 1 16 . 1 1 105 105 GLY N N 105 108.642 108.642 109.741 -1.099 18096 11698 1 16 . 1 1 105 105 GLY C C 105 174.892 174.892 174.715 0.177 18096 11699 1 16 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.478 0.124 18096 11700 1 16 . 1 1 105 105 GLY H H 105 8.272 8.272 10.009 -1.737 18096 11701 1 16 . 1 1 106 106 GLY N N 106 108.820 108.820 106.985 1.835 18096 11702 1 16 . 1 1 106 106 GLY C C 106 174.886 174.886 174.244 0.642 18096 11703 1 16 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.254 0.348 18096 11704 1 16 . 1 1 106 106 GLY H H 106 8.359 8.359 8.250 0.109 18096 11705 1 16 . 1 1 107 107 GLY N N 107 108.550 108.550 106.926 1.624 18096 11706 1 16 . 1 1 107 107 GLY C C 107 174.886 174.886 174.771 0.115 18096 11707 1 16 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.031 0.571 18096 11708 1 16 . 1 1 107 107 GLY H H 107 8.338 8.338 8.039 0.299 18096 11709 1 16 . 1 1 108 108 GLY N N 108 108.519 108.519 107.211 1.308 18096 11710 1 16 . 1 1 108 108 GLY C C 108 175.411 175.411 175.754 -0.343 18096 11711 1 16 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.574 1.233 18096 11712 1 16 . 1 1 108 108 GLY H H 108 8.336 8.336 8.309 0.027 18096 11713 1 16 . 1 1 109 109 ILE N N 109 120.914 120.914 120.873 0.041 18096 11714 1 16 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.736 0.240 18096 11715 1 16 . 1 1 109 109 ILE C C 109 176.019 176.019 176.027 -0.008 18096 11716 1 16 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.283 -1.356 18096 11717 1 16 . 1 1 109 109 ILE CB C 109 38.073 38.073 38.050 0.023 18096 11718 1 16 . 1 1 109 109 ILE H H 109 8.233 8.233 8.330 -0.097 18096 11719 1 16 . 1 1 110 110 ASP N N 110 121.149 121.149 120.022 1.127 18096 11720 1 16 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.489 -0.237 18096 11721 1 16 . 1 1 110 110 ASP C C 110 177.648 177.648 178.840 -1.192 18096 11722 1 16 . 1 1 110 110 ASP CA C 110 56.801 56.801 58.270 -1.469 18096 11723 1 16 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.253 -0.072 18096 11724 1 16 . 1 1 110 110 ASP H H 110 8.369 8.369 8.632 -0.263 18096 11725 1 16 . 1 1 111 111 ARG N N 111 119.198 119.198 119.912 -0.714 18096 11726 1 16 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.253 -0.264 18096 11727 1 16 . 1 1 111 111 ARG C C 111 177.502 177.502 178.843 -1.341 18096 11728 1 16 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.255 0.465 18096 11729 1 16 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.743 0.360 18096 11730 1 16 . 1 1 111 111 ARG H H 111 7.835 7.835 7.561 0.274 18096 11731 1 16 . 1 1 112 112 LEU N N 112 118.935 118.935 121.660 -2.725 18096 11732 1 16 . 1 1 112 112 LEU HA H 112 4.003 4.003 3.998 0.005 18096 11733 1 16 . 1 1 112 112 LEU C C 112 178.356 178.356 178.708 -0.352 18096 11734 1 16 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.834 -0.599 18096 11735 1 16 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.903 -0.160 18096 11736 1 16 . 1 1 112 112 LEU H H 112 7.783 7.783 8.210 -0.427 18096 11737 1 16 . 1 1 113 113 PHE N N 113 116.117 116.117 117.944 -1.827 18096 11738 1 16 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.257 -0.173 18096 11739 1 16 . 1 1 113 113 PHE C C 113 177.092 177.092 178.506 -1.414 18096 11740 1 16 . 1 1 113 113 PHE CA C 113 62.392 62.392 62.077 0.315 18096 11741 1 16 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.712 0.178 18096 11742 1 16 . 1 1 113 113 PHE H H 113 8.072 8.072 7.986 0.086 18096 11743 1 16 . 1 1 114 114 LEU N N 114 118.710 118.710 119.787 -1.077 18096 11744 1 16 . 1 1 114 114 LEU HA H 114 4.001 4.001 4.192 -0.191 18096 11745 1 16 . 1 1 114 114 LEU C C 114 178.210 178.210 178.897 -0.687 18096 11746 1 16 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.151 0.357 18096 11747 1 16 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.252 0.532 18096 11748 1 16 . 1 1 114 114 LEU H H 114 7.881 7.881 7.949 -0.068 18096 11749 1 16 . 1 1 115 115 TRP N N 115 117.801 117.801 121.331 -3.530 18096 11750 1 16 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.411 -0.129 18096 11751 1 16 . 1 1 115 115 TRP C C 115 178.536 178.536 179.353 -0.817 18096 11752 1 16 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.602 -0.858 18096 11753 1 16 . 1 1 115 115 TRP CB C 115 29.125 29.125 30.018 -0.893 18096 11754 1 16 . 1 1 115 115 TRP H H 115 7.925 7.925 8.437 -0.512 18096 11755 1 16 . 1 1 116 116 ILE N N 116 118.212 118.212 115.762 2.450 18096 11756 1 16 . 1 1 116 116 ILE HA H 116 3.694 3.694 4.023 -0.329 18096 11757 1 16 . 1 1 116 116 ILE C C 116 177.423 177.423 177.597 -0.174 18096 11758 1 16 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.821 1.166 18096 11759 1 16 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.601 0.550 18096 11760 1 16 . 1 1 116 116 ILE H H 116 8.355 8.355 8.368 -0.013 18096 11761 1 16 . 1 1 117 117 PHE N N 117 119.509 119.509 121.279 -1.770 18096 11762 1 16 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.313 -0.219 18096 11763 1 16 . 1 1 117 117 PHE C C 117 177.389 177.389 177.100 0.289 18096 11764 1 16 . 1 1 117 117 PHE CA C 117 61.945 61.945 62.157 -0.212 18096 11765 1 16 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.167 -0.228 18096 11766 1 16 . 1 1 117 117 PHE H H 117 8.419 8.419 7.518 0.901 18096 11767 1 16 . 1 1 118 118 VAL N N 118 118.927 118.927 119.007 -0.080 18096 11768 1 16 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.669 -0.159 18096 11769 1 16 . 1 1 118 118 VAL C C 118 177.452 177.452 177.331 0.121 18096 11770 1 16 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.690 0.750 18096 11771 1 16 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.233 0.229 18096 11772 1 16 . 1 1 118 118 VAL H H 118 8.509 8.509 7.911 0.598 18096 11773 1 16 . 1 1 119 119 PHE N N 119 118.638 118.638 121.125 -2.487 18096 11774 1 16 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.142 -0.102 18096 11775 1 16 . 1 1 119 119 PHE C C 119 177.403 177.403 177.179 0.224 18096 11776 1 16 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.714 0.889 18096 11777 1 16 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.076 0.069 18096 11778 1 16 . 1 1 119 119 PHE H H 119 8.477 8.477 7.748 0.729 18096 11779 1 16 . 1 1 120 120 VAL N N 120 118.660 118.660 118.521 0.139 18096 11780 1 16 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.270 0.197 18096 11781 1 16 . 1 1 120 120 VAL C C 120 177.851 177.851 177.550 0.301 18096 11782 1 16 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.840 1.596 18096 11783 1 16 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.422 0.238 18096 11784 1 16 . 1 1 120 120 VAL H H 120 8.705 8.705 7.819 0.886 18096 11785 1 16 . 1 1 121 121 CYS N N 121 117.055 117.055 119.085 -2.030 18096 11786 1 16 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.095 -0.193 18096 11787 1 16 . 1 1 121 121 CYS C C 121 177.629 177.629 176.427 1.202 18096 11788 1 16 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.850 1.489 18096 11789 1 16 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.369 -0.580 18096 11790 1 16 . 1 1 121 121 CYS H H 121 7.981 7.981 7.558 0.423 18096 11791 1 16 . 1 1 122 122 VAL N N 122 120.422 120.422 121.000 -0.578 18096 11792 1 16 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.481 -0.002 18096 11793 1 16 . 1 1 122 122 VAL C C 122 176.923 176.923 177.510 -0.587 18096 11794 1 16 . 1 1 122 122 VAL CA C 122 67.261 67.261 67.006 0.255 18096 11795 1 16 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.770 0.356 18096 11796 1 16 . 1 1 122 122 VAL H H 122 8.487 8.487 8.344 0.143 18096 11797 1 16 . 1 1 123 123 PHE N N 123 117.927 117.927 119.320 -1.393 18096 11798 1 16 . 1 1 123 123 PHE HA H 123 4.034 4.034 3.986 0.048 18096 11799 1 16 . 1 1 123 123 PHE C C 123 178.151 178.151 177.707 0.444 18096 11800 1 16 . 1 1 123 123 PHE CA C 123 62.094 62.094 62.309 -0.215 18096 11801 1 16 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.346 0.291 18096 11802 1 16 . 1 1 123 123 PHE H H 123 8.630 8.630 8.601 0.029 18096 11803 1 16 . 1 1 124 124 GLY N N 124 106.539 106.539 105.730 0.809 18096 11804 1 16 . 1 1 124 124 GLY C C 124 174.290 174.290 175.907 -1.617 18096 11805 1 16 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.608 -0.057 18096 11806 1 16 . 1 1 124 124 GLY H H 124 8.689 8.689 8.145 0.544 18096 11807 1 16 . 1 1 125 125 THR N N 125 117.059 117.059 119.437 -2.378 18096 11808 1 16 . 1 1 125 125 THR HA H 125 3.649 3.649 3.966 -0.317 18096 11809 1 16 . 1 1 125 125 THR C C 125 176.231 176.231 176.634 -0.403 18096 11810 1 16 . 1 1 125 125 THR CA C 125 67.989 67.989 67.610 0.379 18096 11811 1 16 . 1 1 125 125 THR H H 125 7.553 7.553 7.873 -0.320 18096 11812 1 16 . 1 1 126 126 ILE N N 126 119.538 119.538 120.702 -1.164 18096 11813 1 16 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.638 0.010 18096 11814 1 16 . 1 1 126 126 ILE C C 126 177.976 177.976 177.932 0.044 18096 11815 1 16 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.806 0.909 18096 11816 1 16 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.557 0.273 18096 11817 1 16 . 1 1 126 126 ILE H H 126 8.003 8.003 8.451 -0.448 18096 11818 1 16 . 1 1 127 127 GLY N N 127 105.404 105.404 108.159 -2.755 18096 11819 1 16 . 1 1 127 127 GLY C C 127 174.597 174.597 176.263 -1.666 18096 11820 1 16 . 1 1 127 127 GLY CA C 127 47.569 47.569 47.049 0.520 18096 11821 1 16 . 1 1 127 127 GLY H H 127 8.438 8.438 8.005 0.433 18096 11822 1 16 . 1 1 128 128 MET N N 128 117.893 117.893 119.588 -1.695 18096 11823 1 16 . 1 1 128 128 MET HA H 128 4.153 4.153 4.343 -0.190 18096 11824 1 16 . 1 1 128 128 MET C C 128 177.815 177.815 178.002 -0.187 18096 11825 1 16 . 1 1 128 128 MET CA C 128 58.198 58.198 58.143 0.055 18096 11826 1 16 . 1 1 128 128 MET CB C 128 32.113 32.113 32.578 -0.465 18096 11827 1 16 . 1 1 128 128 MET H H 128 7.821 7.821 7.687 0.134 18096 11828 1 16 . 1 1 129 129 PHE N N 129 116.018 116.018 120.734 -4.716 18096 11829 1 16 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.223 -0.089 18096 11830 1 16 . 1 1 129 129 PHE C C 129 175.863 175.863 175.507 0.356 18096 11831 1 16 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.532 -0.718 18096 11832 1 16 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.144 -0.054 18096 11833 1 16 . 1 1 129 129 PHE H H 129 7.797 7.797 8.216 -0.419 18096 11834 1 16 . 1 1 130 130 LEU N N 130 115.806 115.806 117.420 -1.614 18096 11835 1 16 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.224 0.114 18096 11836 1 16 . 1 1 130 130 LEU C C 130 177.219 177.219 177.223 -0.004 18096 11837 1 16 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.494 0.973 18096 11838 1 16 . 1 1 130 130 LEU CB C 130 42.424 42.424 41.784 0.640 18096 11839 1 16 . 1 1 130 130 LEU H H 130 7.745 7.745 7.485 0.260 18096 11840 1 16 . 1 1 131 131 GLN N N 131 118.630 118.630 119.672 -1.042 18096 11841 1 16 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.117 -0.013 18096 11842 1 16 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.106 2.213 18096 11843 1 16 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.606 -0.785 18096 11844 1 16 . 1 1 131 131 GLN H H 131 7.808 7.808 7.436 0.372 18096 11845 1 16 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.385 -0.012 18096 11846 1 16 . 1 1 132 132 PRO C C 132 177.739 177.739 177.002 0.737 18096 11847 1 16 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.765 2.618 18096 11848 1 16 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.085 -0.559 18096 11849 1 16 . 1 1 133 133 LEU N N 133 115.632 115.632 116.665 -1.033 18096 11850 1 16 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.150 -0.086 18096 11851 1 16 . 1 1 133 133 LEU C C 133 176.918 176.918 176.057 0.861 18096 11852 1 16 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.780 -0.379 18096 11853 1 16 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.010 -0.021 18096 11854 1 16 . 1 1 133 133 LEU H H 133 7.689 7.689 8.197 -0.508 18096 11855 1 16 . 1 1 134 134 PHE N N 134 114.807 114.807 116.518 -1.711 18096 11856 1 16 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.644 -0.115 18096 11857 1 16 . 1 1 134 134 PHE C C 134 175.245 175.245 175.093 0.152 18096 11858 1 16 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.611 0.127 18096 11859 1 16 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.724 -0.115 18096 11860 1 16 . 1 1 134 134 PHE H H 134 7.679 7.679 7.421 0.258 18096 11861 1 16 . 1 1 135 135 GLN N N 135 118.318 118.318 119.945 -1.627 18096 11862 1 16 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.042 0.273 18096 11863 1 16 . 1 1 135 135 GLN C C 135 175.361 175.361 175.230 0.131 18096 11864 1 16 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.427 -1.320 18096 11865 1 16 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.091 0.775 18096 11866 1 16 . 1 1 135 135 GLN H H 135 7.651 7.651 8.707 -1.056 18096 11867 1 16 . 1 1 136 136 GLU N N 136 120.684 120.684 120.288 0.396 18096 11868 1 16 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.261 0.050 18096 11869 1 16 . 1 1 136 136 GLU C C 136 175.153 175.153 175.648 -0.495 18096 11870 1 16 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.198 -0.723 18096 11871 1 16 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.342 1.890 18096 11872 1 16 . 1 1 136 136 GLU H H 136 8.109 8.109 8.679 -0.570 18096 11873 1 17 . 1 1 3 3 ALA N N 3 124.656 124.656 124.342 0.314 18096 11874 1 17 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.634 -0.428 18096 11875 1 17 . 1 1 3 3 ALA C C 3 178.133 178.133 176.669 1.464 18096 11876 1 17 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.816 0.869 18096 11877 1 17 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.149 -0.066 18096 11878 1 17 . 1 1 3 3 ALA H H 3 8.402 8.402 7.894 0.508 18096 11879 1 17 . 1 1 4 4 GLU N N 4 117.439 117.439 121.259 -3.820 18096 11880 1 17 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.250 -0.121 18096 11881 1 17 . 1 1 4 4 GLU C C 4 176.534 176.534 175.781 0.753 18096 11882 1 17 . 1 1 4 4 GLU CA C 4 57.424 57.424 55.858 1.567 18096 11883 1 17 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.800 0.084 18096 11884 1 17 . 1 1 4 4 GLU H H 4 8.219 8.219 8.262 -0.043 18096 11885 1 17 . 1 1 5 5 GLU N N 5 118.815 118.815 117.319 1.496 18096 11886 1 17 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.070 0.141 18096 11887 1 17 . 1 1 5 5 GLU C C 5 176.604 176.604 176.933 -0.329 18096 11888 1 17 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.967 -0.016 18096 11889 1 17 . 1 1 5 5 GLU CB C 5 29.962 29.962 28.291 1.671 18096 11890 1 17 . 1 1 5 5 GLU H H 5 7.992 7.992 8.461 -0.469 18096 11891 1 17 . 1 1 6 6 GLU N N 6 121.446 121.446 119.971 1.475 18096 11892 1 17 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.156 0.028 18096 11893 1 17 . 1 1 6 6 GLU CA C 6 57.421 57.421 59.772 -2.351 18096 11894 1 17 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.876 0.107 18096 11895 1 17 . 1 1 6 6 GLU H H 6 8.148 8.148 8.566 -0.418 18096 11896 1 17 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.408 -0.145 18096 11897 1 17 . 1 1 7 7 PRO C C 7 178.717 178.717 178.668 0.049 18096 11898 1 17 . 1 1 7 7 PRO CA C 7 65.529 65.529 64.971 0.558 18096 11899 1 17 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.329 -0.006 18096 11900 1 17 . 1 1 8 8 LEU N N 8 119.642 119.642 119.063 0.579 18096 11901 1 17 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.106 -0.154 18096 11902 1 17 . 1 1 8 8 LEU C C 8 177.905 177.905 178.321 -0.416 18096 11903 1 17 . 1 1 8 8 LEU CA C 8 57.931 57.931 58.143 -0.212 18096 11904 1 17 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.032 0.741 18096 11905 1 17 . 1 1 8 8 LEU H H 8 8.222 8.222 8.201 0.021 18096 11906 1 17 . 1 1 9 9 PHE N N 9 118.625 118.625 117.064 1.561 18096 11907 1 17 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.179 -0.007 18096 11908 1 17 . 1 1 9 9 PHE C C 9 177.620 177.620 177.717 -0.097 18096 11909 1 17 . 1 1 9 9 PHE CA C 9 61.072 61.072 61.301 -0.229 18096 11910 1 17 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.196 -0.358 18096 11911 1 17 . 1 1 9 9 PHE H H 9 8.071 8.071 7.872 0.199 18096 11912 1 17 . 1 1 10 10 TYR N N 10 117.829 117.829 120.003 -2.174 18096 11913 1 17 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.262 -0.072 18096 11914 1 17 . 1 1 10 10 TYR C C 10 177.743 177.743 177.807 -0.064 18096 11915 1 17 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.138 -0.929 18096 11916 1 17 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.898 -0.183 18096 11917 1 17 . 1 1 10 10 TYR H H 10 8.204 8.204 7.463 0.741 18096 11918 1 17 . 1 1 11 11 THR N N 11 115.545 115.545 114.464 1.081 18096 11919 1 17 . 1 1 11 11 THR HA H 11 3.875 3.875 3.926 -0.051 18096 11920 1 17 . 1 1 11 11 THR C C 11 175.937 175.937 176.585 -0.648 18096 11921 1 17 . 1 1 11 11 THR CA C 11 67.187 67.187 65.760 1.427 18096 11922 1 17 . 1 1 11 11 THR CB C 11 68.579 68.579 68.422 0.157 18096 11923 1 17 . 1 1 11 11 THR H H 11 7.934 7.934 8.386 -0.452 18096 11924 1 17 . 1 1 12 12 ILE N N 12 120.096 120.096 119.636 0.460 18096 11925 1 17 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.772 -0.090 18096 11926 1 17 . 1 1 12 12 ILE C C 12 175.863 175.863 177.622 -1.759 18096 11927 1 17 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.428 0.393 18096 11928 1 17 . 1 1 12 12 ILE CB C 12 37.956 37.956 36.546 1.410 18096 11929 1 17 . 1 1 12 12 ILE H H 12 8.172 8.172 7.570 0.602 18096 11930 1 17 . 1 1 13 13 ASN N N 13 114.444 114.444 117.644 -3.200 18096 11931 1 17 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.488 -0.095 18096 11932 1 17 . 1 1 13 13 ASN C C 13 174.880 174.880 176.496 -1.616 18096 11933 1 17 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.305 -0.048 18096 11934 1 17 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.533 1.013 18096 11935 1 17 . 1 1 13 13 ASN H H 13 7.731 7.731 7.515 0.216 18096 11936 1 17 . 1 1 14 14 LEU N N 14 115.306 115.306 119.291 -3.985 18096 11937 1 17 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.168 0.178 18096 11938 1 17 . 1 1 14 14 LEU C C 14 177.427 177.427 177.802 -0.375 18096 11939 1 17 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.416 -0.046 18096 11940 1 17 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.490 -0.724 18096 11941 1 17 . 1 1 14 14 LEU H H 14 7.381 7.381 7.358 0.023 18096 11942 1 17 . 1 1 15 15 ILE N N 15 117.935 117.935 119.951 -2.016 18096 11943 1 17 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.769 -0.171 18096 11944 1 17 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.076 3.376 18096 11945 1 17 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.895 0.786 18096 11946 1 17 . 1 1 15 15 ILE H H 15 8.135 8.135 7.237 0.898 18096 11947 1 17 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.375 -0.329 18096 11948 1 17 . 1 1 17 17 PRO C C 17 177.518 177.518 178.698 -1.180 18096 11949 1 17 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.688 0.957 18096 11950 1 17 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.977 -0.011 18096 11951 1 17 . 1 1 18 18 CYS N N 18 113.411 113.411 118.658 -5.247 18096 11952 1 17 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.111 -0.160 18096 11953 1 17 . 1 1 18 18 CYS C C 18 177.617 177.617 176.896 0.721 18096 11954 1 17 . 1 1 18 18 CYS CA C 18 64.488 64.488 62.867 1.621 18096 11955 1 17 . 1 1 18 18 CYS CB C 18 26.768 26.768 26.749 0.019 18096 11956 1 17 . 1 1 18 18 CYS H H 18 7.338 7.338 7.494 -0.156 18096 11957 1 17 . 1 1 19 19 VAL N N 19 121.720 121.720 119.566 2.154 18096 11958 1 17 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.667 -0.146 18096 11959 1 17 . 1 1 19 19 VAL C C 19 178.069 178.069 178.164 -0.095 18096 11960 1 17 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.920 0.145 18096 11961 1 17 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.412 0.341 18096 11962 1 17 . 1 1 19 19 VAL H H 19 8.587 8.587 7.701 0.886 18096 11963 1 17 . 1 1 20 20 LEU N N 20 121.731 121.731 120.492 1.239 18096 11964 1 17 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.865 0.156 18096 11965 1 17 . 1 1 20 20 LEU C C 20 177.989 177.989 179.128 -1.139 18096 11966 1 17 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.169 0.480 18096 11967 1 17 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.806 0.128 18096 11968 1 17 . 1 1 20 20 LEU H H 20 8.344 8.344 7.454 0.890 18096 11969 1 17 . 1 1 21 21 ILE N N 21 117.403 117.403 118.718 -1.315 18096 11970 1 17 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.590 0.079 18096 11971 1 17 . 1 1 21 21 ILE C C 21 176.947 176.947 177.995 -1.048 18096 11972 1 17 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.596 -0.240 18096 11973 1 17 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.873 0.045 18096 11974 1 17 . 1 1 21 21 ILE H H 21 8.371 8.371 8.480 -0.109 18096 11975 1 17 . 1 1 22 22 THR N N 22 115.544 115.544 116.426 -0.882 18096 11976 1 17 . 1 1 22 22 THR HA H 22 3.681 3.681 3.995 -0.314 18096 11977 1 17 . 1 1 22 22 THR C C 22 176.073 176.073 176.718 -0.645 18096 11978 1 17 . 1 1 22 22 THR CA C 22 68.152 68.152 67.289 0.863 18096 11979 1 17 . 1 1 22 22 THR CB C 22 68.428 68.428 68.705 -0.277 18096 11980 1 17 . 1 1 22 22 THR H H 22 7.829 7.829 7.691 0.138 18096 11981 1 17 . 1 1 23 23 SER N N 23 116.192 116.192 117.966 -1.774 18096 11982 1 17 . 1 1 23 23 SER HA H 23 4.023 4.023 4.150 -0.127 18096 11983 1 17 . 1 1 23 23 SER C C 23 175.279 175.279 176.520 -1.241 18096 11984 1 17 . 1 1 23 23 SER CA C 23 63.884 63.884 61.734 2.150 18096 11985 1 17 . 1 1 23 23 SER CB C 23 62.971 62.971 63.016 -0.045 18096 11986 1 17 . 1 1 23 23 SER H H 23 8.069 8.069 8.029 0.040 18096 11987 1 17 . 1 1 24 24 LEU N N 24 120.855 120.855 122.027 -1.172 18096 11988 1 17 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.000 -0.019 18096 11989 1 17 . 1 1 24 24 LEU C C 24 177.542 177.542 178.281 -0.739 18096 11990 1 17 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.562 -0.526 18096 11991 1 17 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.696 0.245 18096 11992 1 17 . 1 1 24 24 LEU H H 24 7.858 7.858 7.589 0.269 18096 11993 1 17 . 1 1 25 25 ALA N N 25 119.507 119.507 121.248 -1.741 18096 11994 1 17 . 1 1 25 25 ALA HA H 25 3.940 3.940 3.949 -0.009 18096 11995 1 17 . 1 1 25 25 ALA C C 25 177.915 177.915 180.046 -2.131 18096 11996 1 17 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.879 0.733 18096 11997 1 17 . 1 1 25 25 ALA CB C 25 18.251 18.251 17.979 0.272 18096 11998 1 17 . 1 1 25 25 ALA H H 25 8.141 8.141 7.526 0.615 18096 11999 1 17 . 1 1 26 26 ILE N N 26 115.689 115.689 119.301 -3.612 18096 12000 1 17 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.882 -0.084 18096 12001 1 17 . 1 1 26 26 ILE C C 26 177.729 177.729 177.946 -0.217 18096 12002 1 17 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.473 -0.133 18096 12003 1 17 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.204 -0.374 18096 12004 1 17 . 1 1 26 26 ILE H H 26 8.012 8.012 7.631 0.381 18096 12005 1 17 . 1 1 27 27 LEU N N 27 118.567 118.567 120.337 -1.770 18096 12006 1 17 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.113 -0.107 18096 12007 1 17 . 1 1 27 27 LEU C C 27 178.364 178.364 179.298 -0.934 18096 12008 1 17 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.330 0.407 18096 12009 1 17 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.680 0.157 18096 12010 1 17 . 1 1 27 27 LEU H H 27 8.045 8.045 8.487 -0.442 18096 12011 1 17 . 1 1 28 28 VAL N N 28 113.720 113.720 118.869 -5.149 18096 12012 1 17 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.713 -0.138 18096 12013 1 17 . 1 1 28 28 VAL C C 28 177.809 177.809 178.226 -0.417 18096 12014 1 17 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.245 -0.232 18096 12015 1 17 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.256 0.794 18096 12016 1 17 . 1 1 28 28 VAL H H 28 8.008 8.008 7.727 0.281 18096 12017 1 17 . 1 1 29 29 PHE N N 29 115.458 115.458 119.003 -3.545 18096 12018 1 17 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.156 0.053 18096 12019 1 17 . 1 1 29 29 PHE C C 29 176.366 176.366 177.691 -1.325 18096 12020 1 17 . 1 1 29 29 PHE CA C 29 60.858 60.858 62.002 -1.144 18096 12021 1 17 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.549 1.048 18096 12022 1 17 . 1 1 29 29 PHE H H 29 7.915 7.915 7.416 0.499 18096 12023 1 17 . 1 1 30 30 TYR N N 30 115.649 115.649 116.172 -0.523 18096 12024 1 17 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.469 -0.228 18096 12025 1 17 . 1 1 30 30 TYR C C 30 175.388 175.388 176.130 -0.742 18096 12026 1 17 . 1 1 30 30 TYR CA C 30 59.386 59.386 61.517 -2.131 18096 12027 1 17 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.444 0.196 18096 12028 1 17 . 1 1 30 30 TYR H H 30 8.002 8.002 7.687 0.315 18096 12029 1 17 . 1 1 31 31 LEU N N 31 121.144 121.144 120.145 0.999 18096 12030 1 17 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.850 -0.402 18096 12031 1 17 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.420 1.729 18096 12032 1 17 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.365 -1.029 18096 12033 1 17 . 1 1 31 31 LEU H H 31 7.514 7.514 7.897 -0.383 18096 12034 1 17 . 1 1 32 32 PRO C C 32 176.530 176.530 176.369 0.161 18096 12035 1 17 . 1 1 33 33 SER N N 33 115.448 115.448 120.874 -5.426 18096 12036 1 17 . 1 1 33 33 SER HA H 33 4.317 4.317 4.511 -0.194 18096 12037 1 17 . 1 1 33 33 SER C C 33 174.174 174.174 174.090 0.084 18096 12038 1 17 . 1 1 33 33 SER CA C 33 59.954 59.954 58.108 1.846 18096 12039 1 17 . 1 1 33 33 SER H H 33 8.370 8.370 8.126 0.244 18096 12040 1 17 . 1 1 34 34 ASP N N 34 119.694 119.694 124.489 -4.795 18096 12041 1 17 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.352 0.233 18096 12042 1 17 . 1 1 34 34 ASP C C 34 175.971 175.971 175.223 0.748 18096 12043 1 17 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.458 -1.016 18096 12044 1 17 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.240 0.000 18096 12045 1 17 . 1 1 34 34 ASP H H 34 8.209 8.209 8.627 -0.418 18096 12046 1 17 . 1 1 35 35 CYS N N 35 114.872 114.872 117.743 -2.871 18096 12047 1 17 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.630 -0.427 18096 12048 1 17 . 1 1 35 35 CYS C C 35 175.147 175.147 176.181 -1.034 18096 12049 1 17 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.127 2.994 18096 12050 1 17 . 1 1 35 35 CYS CB C 35 27.886 27.886 29.013 -1.127 18096 12051 1 17 . 1 1 35 35 CYS H H 35 7.750 7.750 8.446 -0.696 18096 12052 1 17 . 1 1 36 36 GLY N N 36 110.059 110.059 108.780 1.279 18096 12053 1 17 . 1 1 36 36 GLY C C 36 174.391 174.391 175.616 -1.225 18096 12054 1 17 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.986 0.301 18096 12055 1 17 . 1 1 36 36 GLY H H 36 8.357 8.357 8.427 -0.070 18096 12056 1 17 . 1 1 37 37 GLU N N 37 121.785 121.785 120.326 1.459 18096 12057 1 17 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.158 -0.092 18096 12058 1 17 . 1 1 37 37 GLU C C 37 176.536 176.536 178.340 -1.804 18096 12059 1 17 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.963 -0.437 18096 12060 1 17 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.614 0.116 18096 12061 1 17 . 1 1 37 37 GLU H H 37 8.359 8.359 8.429 -0.070 18096 12062 1 17 . 1 1 38 38 LYS N N 38 123.927 123.927 119.645 4.282 18096 12063 1 17 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.947 0.176 18096 12064 1 17 . 1 1 38 38 LYS C C 38 177.544 177.544 178.468 -0.924 18096 12065 1 17 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.007 -0.438 18096 12066 1 17 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.896 -0.219 18096 12067 1 17 . 1 1 38 38 LYS H H 38 8.226 8.226 7.430 0.796 18096 12068 1 17 . 1 1 39 39 MET N N 39 117.932 117.932 118.503 -0.571 18096 12069 1 17 . 1 1 39 39 MET HA H 39 4.135 4.135 4.205 -0.070 18096 12070 1 17 . 1 1 39 39 MET C C 39 178.602 178.602 178.526 0.076 18096 12071 1 17 . 1 1 39 39 MET CA C 39 58.851 58.851 59.053 -0.202 18096 12072 1 17 . 1 1 39 39 MET CB C 39 32.220 32.220 32.396 -0.176 18096 12073 1 17 . 1 1 39 39 MET H H 39 8.262 8.262 7.901 0.361 18096 12074 1 17 . 1 1 40 40 THR N N 40 117.201 117.201 115.961 1.240 18096 12075 1 17 . 1 1 40 40 THR HA H 40 3.673 3.673 3.991 -0.318 18096 12076 1 17 . 1 1 40 40 THR C C 40 175.927 175.927 176.692 -0.765 18096 12077 1 17 . 1 1 40 40 THR CA C 40 67.352 67.352 66.801 0.551 18096 12078 1 17 . 1 1 40 40 THR H H 40 8.341 8.341 7.563 0.778 18096 12079 1 17 . 1 1 41 41 LEU N N 41 120.040 120.040 123.116 -3.076 18096 12080 1 17 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.137 -0.085 18096 12081 1 17 . 1 1 41 41 LEU C C 41 177.809 177.809 178.227 -0.418 18096 12082 1 17 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.957 0.430 18096 12083 1 17 . 1 1 41 41 LEU H H 41 8.181 8.181 7.811 0.370 18096 12084 1 17 . 1 1 42 42 CYS N N 42 117.556 117.556 118.022 -0.466 18096 12085 1 17 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.034 -0.082 18096 12086 1 17 . 1 1 42 42 CYS C C 42 176.460 176.460 177.227 -0.767 18096 12087 1 17 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.418 1.078 18096 12088 1 17 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.450 0.384 18096 12089 1 17 . 1 1 42 42 CYS H H 42 7.949 7.949 7.918 0.031 18096 12090 1 17 . 1 1 43 43 ILE N N 43 117.336 117.336 119.783 -2.447 18096 12091 1 17 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.741 -0.112 18096 12092 1 17 . 1 1 43 43 ILE C C 43 177.256 177.256 177.827 -0.571 18096 12093 1 17 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.930 0.145 18096 12094 1 17 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.865 0.079 18096 12095 1 17 . 1 1 43 43 ILE H H 43 8.347 8.347 7.704 0.643 18096 12096 1 17 . 1 1 44 44 SER N N 44 116.243 116.243 117.323 -1.080 18096 12097 1 17 . 1 1 44 44 SER HA H 44 4.083 4.083 4.220 -0.137 18096 12098 1 17 . 1 1 44 44 SER C C 44 176.305 176.305 176.811 -0.506 18096 12099 1 17 . 1 1 44 44 SER CA C 44 63.348 63.348 62.376 0.972 18096 12100 1 17 . 1 1 44 44 SER CB C 44 62.954 62.954 63.359 -0.405 18096 12101 1 17 . 1 1 44 44 SER H H 44 8.064 8.064 7.848 0.216 18096 12102 1 17 . 1 1 45 45 VAL N N 45 120.333 120.333 122.833 -2.500 18096 12103 1 17 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.818 -0.302 18096 12104 1 17 . 1 1 45 45 VAL C C 45 177.247 177.247 177.134 0.113 18096 12105 1 17 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.634 1.304 18096 12106 1 17 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.845 -0.085 18096 12107 1 17 . 1 1 45 45 VAL H H 45 8.036 8.036 8.171 -0.135 18096 12108 1 17 . 1 1 46 46 LEU N N 46 119.430 119.430 120.447 -1.017 18096 12109 1 17 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.099 -0.151 18096 12110 1 17 . 1 1 46 46 LEU C C 46 180.032 180.032 178.395 1.637 18096 12111 1 17 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.156 0.370 18096 12112 1 17 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.936 0.049 18096 12113 1 17 . 1 1 46 46 LEU H H 46 7.959 7.959 7.451 0.508 18096 12114 1 17 . 1 1 47 47 LEU N N 47 121.110 121.110 119.942 1.168 18096 12115 1 17 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.053 -0.055 18096 12116 1 17 . 1 1 47 47 LEU C C 47 177.985 177.985 178.187 -0.202 18096 12117 1 17 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.291 1.149 18096 12118 1 17 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.291 0.755 18096 12119 1 17 . 1 1 47 47 LEU H H 47 8.695 8.695 7.829 0.866 18096 12120 1 17 . 1 1 48 48 ALA N N 48 121.251 121.251 122.457 -1.206 18096 12121 1 17 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.915 -0.070 18096 12122 1 17 . 1 1 48 48 ALA C C 48 178.834 178.834 179.613 -0.779 18096 12123 1 17 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.268 0.441 18096 12124 1 17 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.033 0.100 18096 12125 1 17 . 1 1 48 48 ALA H H 48 8.272 8.272 7.979 0.293 18096 12126 1 17 . 1 1 49 49 LEU N N 49 116.290 116.290 118.202 -1.912 18096 12127 1 17 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.247 -0.250 18096 12128 1 17 . 1 1 49 49 LEU C C 49 178.068 178.068 179.504 -1.436 18096 12129 1 17 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.903 0.405 18096 12130 1 17 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.158 0.788 18096 12131 1 17 . 1 1 49 49 LEU H H 49 8.526 8.526 7.802 0.724 18096 12132 1 17 . 1 1 50 50 THR N N 50 115.495 115.495 115.731 -0.236 18096 12133 1 17 . 1 1 50 50 THR HA H 50 3.692 3.692 4.042 -0.350 18096 12134 1 17 . 1 1 50 50 THR C C 50 176.061 176.061 176.801 -0.740 18096 12135 1 17 . 1 1 50 50 THR CA C 50 68.786 68.786 67.218 1.568 18096 12136 1 17 . 1 1 50 50 THR H H 50 7.996 7.996 7.520 0.476 18096 12137 1 17 . 1 1 51 51 VAL N N 51 119.977 119.977 121.896 -1.919 18096 12138 1 17 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.581 -0.085 18096 12139 1 17 . 1 1 51 51 VAL C C 51 177.063 177.063 177.903 -0.840 18096 12140 1 17 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.926 0.437 18096 12141 1 17 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.206 0.412 18096 12142 1 17 . 1 1 51 51 VAL H H 51 8.145 8.145 8.062 0.083 18096 12143 1 17 . 1 1 52 52 PHE N N 52 118.836 118.836 118.742 0.094 18096 12144 1 17 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.238 -0.136 18096 12145 1 17 . 1 1 52 52 PHE C C 52 176.721 176.721 177.923 -1.202 18096 12146 1 17 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.028 -0.389 18096 12147 1 17 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.168 1.161 18096 12148 1 17 . 1 1 52 52 PHE H H 52 8.354 8.354 7.657 0.697 18096 12149 1 17 . 1 1 53 53 LEU N N 53 117.271 117.271 120.518 -3.247 18096 12150 1 17 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.959 -0.087 18096 12151 1 17 . 1 1 53 53 LEU C C 53 179.184 179.184 178.708 0.476 18096 12152 1 17 . 1 1 53 53 LEU CA C 53 57.857 57.857 59.012 -1.155 18096 12153 1 17 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.931 0.064 18096 12154 1 17 . 1 1 53 53 LEU H H 53 8.438 8.438 7.724 0.714 18096 12155 1 17 . 1 1 54 54 LEU N N 54 119.310 119.310 118.357 0.953 18096 12156 1 17 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.892 0.115 18096 12157 1 17 . 1 1 54 54 LEU C C 54 179.224 179.224 179.045 0.179 18096 12158 1 17 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.217 -0.129 18096 12159 1 17 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.739 0.291 18096 12160 1 17 . 1 1 54 54 LEU H H 54 8.147 8.147 7.608 0.539 18096 12161 1 17 . 1 1 55 55 LEU N N 55 118.400 118.400 120.295 -1.895 18096 12162 1 17 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.938 0.162 18096 12163 1 17 . 1 1 55 55 LEU C C 55 178.974 178.974 178.974 0.000 18096 12164 1 17 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.337 -0.476 18096 12165 1 17 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.231 -0.259 18096 12166 1 17 . 1 1 55 55 LEU H H 55 8.096 8.096 7.398 0.698 18096 12167 1 17 . 1 1 56 56 ILE N N 56 115.919 115.919 117.509 -1.590 18096 12168 1 17 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.876 -0.020 18096 12169 1 17 . 1 1 56 56 ILE C C 56 176.763 176.763 177.936 -1.173 18096 12170 1 17 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.975 -0.464 18096 12171 1 17 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.750 -0.061 18096 12172 1 17 . 1 1 56 56 ILE H H 56 8.028 8.028 7.804 0.224 18096 12173 1 17 . 1 1 57 57 SER N N 57 114.862 114.862 116.293 -1.431 18096 12174 1 17 . 1 1 57 57 SER HA H 57 4.178 4.178 4.206 -0.028 18096 12175 1 17 . 1 1 57 57 SER C C 57 175.258 175.258 175.773 -0.515 18096 12176 1 17 . 1 1 57 57 SER CA C 57 60.946 60.946 61.417 -0.471 18096 12177 1 17 . 1 1 57 57 SER CB C 57 63.558 63.558 63.380 0.178 18096 12178 1 17 . 1 1 57 57 SER H H 57 7.689 7.689 8.356 -0.667 18096 12179 1 17 . 1 1 58 58 LYS N N 58 118.080 118.080 116.675 1.405 18096 12180 1 17 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.377 -0.090 18096 12181 1 17 . 1 1 58 58 LYS C C 58 176.668 176.668 177.465 -0.797 18096 12182 1 17 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.307 -1.200 18096 12183 1 17 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.106 -1.042 18096 12184 1 17 . 1 1 58 58 LYS H H 58 7.595 7.595 7.607 -0.012 18096 12185 1 17 . 1 1 59 59 ILE N N 59 116.926 116.926 123.325 -6.399 18096 12186 1 17 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.273 -0.239 18096 12187 1 17 . 1 1 59 59 ILE C C 59 175.226 175.226 174.785 0.441 18096 12188 1 17 . 1 1 59 59 ILE CA C 59 62.384 62.384 59.491 2.893 18096 12189 1 17 . 1 1 59 59 ILE CB C 59 38.073 38.073 35.790 2.283 18096 12190 1 17 . 1 1 59 59 ILE H H 59 7.706 7.706 7.493 0.213 18096 12191 1 17 . 1 1 60 60 VAL N N 60 119.235 119.235 125.439 -6.204 18096 12192 1 17 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.409 -0.083 18096 12193 1 17 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.360 0.387 18096 12194 1 17 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.082 1.184 18096 12195 1 17 . 1 1 60 60 VAL H H 60 7.586 7.586 7.543 0.043 18096 12196 1 17 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.780 -0.136 18096 12197 1 17 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.489 0.032 18096 12198 1 17 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.451 -0.315 18096 12199 1 17 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.462 0.029 18096 12200 1 17 . 1 1 62 62 PRO C C 62 176.912 176.912 178.241 -1.329 18096 12201 1 17 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.677 -1.434 18096 12202 1 17 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.843 0.035 18096 12203 1 17 . 1 1 63 63 THR N N 63 111.607 111.607 111.223 0.384 18096 12204 1 17 . 1 1 63 63 THR HA H 63 4.447 4.447 4.151 0.296 18096 12205 1 17 . 1 1 63 63 THR C C 63 174.725 174.725 175.883 -1.158 18096 12206 1 17 . 1 1 63 63 THR CA C 63 61.245 61.245 64.719 -3.474 18096 12207 1 17 . 1 1 63 63 THR CB C 63 69.807 69.807 68.287 1.520 18096 12208 1 17 . 1 1 63 63 THR H H 63 7.915 7.915 8.084 -0.169 18096 12209 1 17 . 1 1 64 64 SER N N 64 116.516 116.516 115.269 1.247 18096 12210 1 17 . 1 1 64 64 SER HA H 64 4.411 4.411 4.489 -0.078 18096 12211 1 17 . 1 1 64 64 SER C C 64 174.580 174.580 174.826 -0.246 18096 12212 1 17 . 1 1 64 64 SER CA C 64 58.608 58.608 58.891 -0.283 18096 12213 1 17 . 1 1 64 64 SER CB C 64 63.742 63.742 63.447 0.295 18096 12214 1 17 . 1 1 64 64 SER H H 64 8.127 8.127 7.621 0.506 18096 12215 1 17 . 1 1 65 65 SER N N 65 116.921 116.921 117.431 -0.510 18096 12216 1 17 . 1 1 65 65 SER HA H 65 4.453 4.453 4.186 0.267 18096 12217 1 17 . 1 1 65 65 SER C C 65 174.100 174.100 174.503 -0.403 18096 12218 1 17 . 1 1 65 65 SER CA C 65 58.584 58.584 60.656 -2.072 18096 12219 1 17 . 1 1 65 65 SER CB C 65 63.668 63.668 63.671 -0.003 18096 12220 1 17 . 1 1 65 65 SER H H 65 8.169 8.169 7.689 0.480 18096 12221 1 17 . 1 1 66 66 ASP N N 66 120.478 120.478 120.298 0.180 18096 12222 1 17 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.716 -0.092 18096 12223 1 17 . 1 1 66 66 ASP C C 66 175.730 175.730 175.451 0.279 18096 12224 1 17 . 1 1 66 66 ASP CA C 66 54.245 54.245 53.736 0.509 18096 12225 1 17 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.968 -0.773 18096 12226 1 17 . 1 1 66 66 ASP H H 66 8.154 8.154 7.968 0.186 18096 12227 1 17 . 1 1 67 67 SER N N 67 115.159 115.159 118.352 -3.193 18096 12228 1 17 . 1 1 67 67 SER HA H 67 4.528 4.528 4.290 0.238 18096 12229 1 17 . 1 1 67 67 SER CA C 67 56.493 56.493 57.642 -1.149 18096 12230 1 17 . 1 1 67 67 SER CB C 67 63.604 63.604 63.161 0.443 18096 12231 1 17 . 1 1 67 67 SER H H 67 7.930 7.930 8.631 -0.701 18096 12232 1 17 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.593 -0.198 18096 12233 1 17 . 1 1 68 68 PRO C C 68 176.652 176.652 176.183 0.469 18096 12234 1 17 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.733 0.860 18096 12235 1 17 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.268 -0.916 18096 12236 1 17 . 1 1 69 69 SER N N 69 115.859 115.859 115.184 0.675 18096 12237 1 17 . 1 1 69 69 SER HA H 69 4.436 4.436 4.348 0.088 18096 12238 1 17 . 1 1 69 69 SER C C 69 174.611 174.611 176.204 -1.593 18096 12239 1 17 . 1 1 69 69 SER CA C 69 58.264 58.264 59.252 -0.988 18096 12240 1 17 . 1 1 69 69 SER CB C 69 63.919 63.919 64.146 -0.227 18096 12241 1 17 . 1 1 69 69 SER H H 69 8.256 8.256 8.655 -0.399 18096 12242 1 17 . 1 1 70 70 VAL N N 70 117.241 117.241 119.138 -1.897 18096 12243 1 17 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.998 -0.196 18096 12244 1 17 . 1 1 70 70 VAL C C 70 177.772 177.772 177.471 0.301 18096 12245 1 17 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.733 0.911 18096 12246 1 17 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.183 0.713 18096 12247 1 17 . 1 1 70 70 VAL H H 70 8.211 8.211 8.368 -0.157 18096 12248 1 17 . 1 1 71 71 GLY N N 71 106.999 106.999 107.400 -0.401 18096 12249 1 17 . 1 1 71 71 GLY C C 71 175.551 175.551 175.888 -0.337 18096 12250 1 17 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.520 0.725 18096 12251 1 17 . 1 1 71 71 GLY H H 71 8.566 8.566 8.371 0.195 18096 12252 1 17 . 1 1 72 72 GLU N N 72 121.376 121.376 123.293 -1.917 18096 12253 1 17 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.965 -0.076 18096 12254 1 17 . 1 1 72 72 GLU C C 72 178.495 178.495 178.621 -0.126 18096 12255 1 17 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.608 0.510 18096 12256 1 17 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.379 0.211 18096 12257 1 17 . 1 1 72 72 GLU H H 72 7.919 7.919 7.444 0.475 18096 12258 1 17 . 1 1 73 73 TYR N N 73 117.643 117.643 116.971 0.672 18096 12259 1 17 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.287 -0.225 18096 12260 1 17 . 1 1 73 73 TYR C C 73 179.921 179.921 178.339 1.582 18096 12261 1 17 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.372 1.758 18096 12262 1 17 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.883 1.034 18096 12263 1 17 . 1 1 73 73 TYR H H 73 8.095 8.095 7.493 0.602 18096 12264 1 17 . 1 1 74 74 LEU N N 74 121.712 121.712 121.125 0.587 18096 12265 1 17 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.071 -0.008 18096 12266 1 17 . 1 1 74 74 LEU C C 74 178.385 178.385 178.538 -0.153 18096 12267 1 17 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.396 1.078 18096 12268 1 17 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.557 0.381 18096 12269 1 17 . 1 1 74 74 LEU H H 74 8.615 8.615 7.752 0.863 18096 12270 1 17 . 1 1 75 75 MET N N 75 119.087 119.087 119.285 -0.198 18096 12271 1 17 . 1 1 75 75 MET HA H 75 4.056 4.056 4.054 0.002 18096 12272 1 17 . 1 1 75 75 MET C C 75 177.851 177.851 178.441 -0.590 18096 12273 1 17 . 1 1 75 75 MET CA C 75 59.166 59.166 59.627 -0.461 18096 12274 1 17 . 1 1 75 75 MET CB C 75 32.093 32.093 32.416 -0.323 18096 12275 1 17 . 1 1 75 75 MET H H 75 8.362 8.362 8.023 0.339 18096 12276 1 17 . 1 1 76 76 PHE N N 76 117.788 117.788 118.051 -0.263 18096 12277 1 17 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.334 -0.229 18096 12278 1 17 . 1 1 76 76 PHE C C 76 177.305 177.305 177.223 0.082 18096 12279 1 17 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.032 0.344 18096 12280 1 17 . 1 1 76 76 PHE CB C 76 38.961 38.961 39.215 -0.254 18096 12281 1 17 . 1 1 76 76 PHE H H 76 8.471 8.471 7.929 0.542 18096 12282 1 17 . 1 1 77 77 THR N N 77 115.298 115.298 117.405 -2.107 18096 12283 1 17 . 1 1 77 77 THR HA H 77 3.673 3.673 4.005 -0.332 18096 12284 1 17 . 1 1 77 77 THR C C 77 176.057 176.057 176.370 -0.313 18096 12285 1 17 . 1 1 77 77 THR CA C 77 68.423 68.423 67.285 1.138 18096 12286 1 17 . 1 1 77 77 THR CB C 77 68.204 68.204 69.097 -0.893 18096 12287 1 17 . 1 1 77 77 THR H H 77 8.179 8.179 8.199 -0.020 18096 12288 1 17 . 1 1 78 78 MET N N 78 119.204 119.204 120.612 -1.408 18096 12289 1 17 . 1 1 78 78 MET HA H 78 4.092 4.092 4.125 -0.033 18096 12290 1 17 . 1 1 78 78 MET C C 78 179.421 179.421 178.399 1.022 18096 12291 1 17 . 1 1 78 78 MET CA C 78 58.810 58.810 59.523 -0.713 18096 12292 1 17 . 1 1 78 78 MET CB C 78 32.176 32.176 32.178 -0.002 18096 12293 1 17 . 1 1 78 78 MET H H 78 8.310 8.310 8.642 -0.332 18096 12294 1 17 . 1 1 79 79 VAL N N 79 122.115 122.115 119.758 2.357 18096 12295 1 17 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.669 -0.177 18096 12296 1 17 . 1 1 79 79 VAL C C 79 176.866 176.866 178.276 -1.410 18096 12297 1 17 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.896 0.478 18096 12298 1 17 . 1 1 79 79 VAL CB C 79 31.615 31.615 30.990 0.625 18096 12299 1 17 . 1 1 79 79 VAL H H 79 8.239 8.239 7.542 0.697 18096 12300 1 17 . 1 1 80 80 LEU N N 80 120.240 120.240 119.242 0.998 18096 12301 1 17 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.966 -0.027 18096 12302 1 17 . 1 1 80 80 LEU C C 80 180.078 180.078 179.144 0.934 18096 12303 1 17 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.060 0.537 18096 12304 1 17 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.631 0.310 18096 12305 1 17 . 1 1 80 80 LEU H H 80 8.058 8.058 7.224 0.834 18096 12306 1 17 . 1 1 81 81 VAL N N 81 120.008 120.008 119.515 0.493 18096 12307 1 17 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.684 -0.226 18096 12308 1 17 . 1 1 81 81 VAL C C 81 177.670 177.670 178.299 -0.629 18096 12309 1 17 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.287 0.050 18096 12310 1 17 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.190 0.425 18096 12311 1 17 . 1 1 81 81 VAL H H 81 8.800 8.800 8.585 0.215 18096 12312 1 17 . 1 1 82 82 THR N N 82 116.872 116.872 116.146 0.726 18096 12313 1 17 . 1 1 82 82 THR HA H 82 3.676 3.676 4.007 -0.331 18096 12314 1 17 . 1 1 82 82 THR C C 82 176.268 176.268 176.518 -0.250 18096 12315 1 17 . 1 1 82 82 THR CA C 82 68.590 68.590 66.918 1.672 18096 12316 1 17 . 1 1 82 82 THR CB C 82 68.468 68.468 68.492 -0.023 18096 12317 1 17 . 1 1 82 82 THR H H 82 8.109 8.109 8.581 -0.472 18096 12318 1 17 . 1 1 83 83 PHE N N 83 119.777 119.777 121.681 -1.904 18096 12319 1 17 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.315 -0.234 18096 12320 1 17 . 1 1 83 83 PHE C C 83 178.015 178.015 176.907 1.108 18096 12321 1 17 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.921 -0.309 18096 12322 1 17 . 1 1 83 83 PHE CB C 83 38.686 38.686 39.339 -0.653 18096 12323 1 17 . 1 1 83 83 PHE H H 83 8.754 8.754 7.716 1.038 18096 12324 1 17 . 1 1 84 84 SER N N 84 117.769 117.769 116.402 1.367 18096 12325 1 17 . 1 1 84 84 SER HA H 84 4.091 4.091 4.280 -0.189 18096 12326 1 17 . 1 1 84 84 SER C C 84 175.899 175.899 176.777 -0.878 18096 12327 1 17 . 1 1 84 84 SER CA C 84 63.269 63.269 61.875 1.394 18096 12328 1 17 . 1 1 84 84 SER CB C 84 62.962 62.962 63.392 -0.430 18096 12329 1 17 . 1 1 84 84 SER H H 84 8.335 8.335 8.173 0.162 18096 12330 1 17 . 1 1 85 85 ILE N N 85 122.986 122.986 121.488 1.498 18096 12331 1 17 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.911 -0.262 18096 12332 1 17 . 1 1 85 85 ILE C C 85 177.778 177.778 177.627 0.151 18096 12333 1 17 . 1 1 85 85 ILE CA C 85 65.504 65.504 62.565 2.939 18096 12334 1 17 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.141 0.974 18096 12335 1 17 . 1 1 85 85 ILE H H 85 8.187 8.187 7.581 0.606 18096 12336 1 17 . 1 1 86 86 VAL N N 86 117.289 117.289 120.247 -2.958 18096 12337 1 17 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.397 0.112 18096 12338 1 17 . 1 1 86 86 VAL C C 86 177.816 177.816 178.081 -0.265 18096 12339 1 17 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.302 -0.255 18096 12340 1 17 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.420 0.177 18096 12341 1 17 . 1 1 86 86 VAL H H 86 8.367 8.367 7.578 0.789 18096 12342 1 17 . 1 1 87 87 THR N N 87 116.788 116.788 112.429 4.359 18096 12343 1 17 . 1 1 87 87 THR HA H 87 3.758 3.758 3.794 -0.036 18096 12344 1 17 . 1 1 87 87 THR C C 87 176.095 176.095 176.748 -0.653 18096 12345 1 17 . 1 1 87 87 THR CA C 87 67.248 67.248 66.320 0.927 18096 12346 1 17 . 1 1 87 87 THR H H 87 8.007 8.007 7.652 0.355 18096 12347 1 17 . 1 1 88 88 SER N N 88 116.157 116.157 118.241 -2.084 18096 12348 1 17 . 1 1 88 88 SER HA H 88 4.018 4.018 4.151 -0.133 18096 12349 1 17 . 1 1 88 88 SER C C 88 174.932 174.932 176.694 -1.762 18096 12350 1 17 . 1 1 88 88 SER CA C 88 62.717 62.717 62.272 0.445 18096 12351 1 17 . 1 1 88 88 SER CB C 88 62.954 62.954 62.786 0.168 18096 12352 1 17 . 1 1 88 88 SER H H 88 7.662 7.662 7.534 0.128 18096 12353 1 17 . 1 1 89 89 VAL N N 89 117.956 117.956 121.604 -3.648 18096 12354 1 17 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.771 -0.255 18096 12355 1 17 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.832 1.434 18096 12356 1 17 . 1 1 89 89 VAL H H 89 8.274 8.274 7.776 0.498 18096 12357 1 17 . 1 1 90 90 CYS N N 90 116.319 116.319 118.644 -2.325 18096 12358 1 17 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.056 0.173 18096 12359 1 17 . 1 1 90 90 CYS C C 90 175.174 175.174 175.951 -0.777 18096 12360 1 17 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.706 -1.088 18096 12361 1 17 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.858 -1.067 18096 12362 1 17 . 1 1 90 90 CYS H H 90 7.654 7.654 7.447 0.207 18096 12363 1 17 . 1 1 91 91 VAL N N 91 115.534 115.534 118.568 -3.034 18096 12364 1 17 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.803 -0.177 18096 12365 1 17 . 1 1 91 91 VAL C C 91 176.038 176.038 176.894 -0.856 18096 12366 1 17 . 1 1 91 91 VAL CA C 91 63.608 63.608 64.728 -1.119 18096 12367 1 17 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.248 -0.326 18096 12368 1 17 . 1 1 91 91 VAL H H 91 7.760 7.760 8.047 -0.287 18096 12369 1 17 . 1 1 92 92 LEU N N 92 119.713 119.713 119.935 -0.222 18096 12370 1 17 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.108 0.132 18096 12371 1 17 . 1 1 92 92 LEU C C 92 176.769 176.769 177.240 -0.471 18096 12372 1 17 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.771 -1.181 18096 12373 1 17 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.767 -0.835 18096 12374 1 17 . 1 1 92 92 LEU H H 92 7.732 7.732 7.446 0.286 18096 12375 1 17 . 1 1 93 93 ASN N N 93 117.817 117.817 115.721 2.096 18096 12376 1 17 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.773 -0.097 18096 12377 1 17 . 1 1 93 93 ASN C C 93 174.955 174.955 173.112 1.843 18096 12378 1 17 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.832 0.423 18096 12379 1 17 . 1 1 93 93 ASN CB C 93 39.508 39.508 39.898 -0.390 18096 12380 1 17 . 1 1 93 93 ASN H H 93 7.916 7.916 7.961 -0.045 18096 12381 1 17 . 1 1 94 94 VAL N N 94 118.650 118.650 119.750 -1.100 18096 12382 1 17 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.184 -0.160 18096 12383 1 17 . 1 1 94 94 VAL C C 94 175.740 175.740 173.944 1.796 18096 12384 1 17 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.520 1.012 18096 12385 1 17 . 1 1 94 94 VAL CB C 94 32.632 32.632 34.198 -1.566 18096 12386 1 17 . 1 1 94 94 VAL H H 94 7.730 7.730 7.987 -0.257 18096 12387 1 17 . 1 1 95 95 HIS N N 95 121.293 121.293 124.864 -3.571 18096 12388 1 17 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.701 -0.082 18096 12389 1 17 . 1 1 95 95 HIS C C 95 174.146 174.146 173.835 0.311 18096 12390 1 17 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.233 0.349 18096 12391 1 17 . 1 1 95 95 HIS CB C 95 29.755 29.755 29.696 0.059 18096 12392 1 17 . 1 1 95 95 HIS H H 95 8.341 8.341 8.751 -0.410 18096 12393 1 17 . 1 1 96 96 HIS N N 96 122.728 122.728 116.873 5.855 18096 12394 1 17 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.252 0.383 18096 12395 1 17 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.451 -0.869 18096 12396 1 17 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.730 0.043 18096 12397 1 17 . 1 1 96 96 HIS H H 96 8.333 8.333 7.953 0.380 18096 12398 1 17 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.431 -0.136 18096 12399 1 17 . 1 1 97 97 ARG C C 97 175.776 175.776 176.325 -0.549 18096 12400 1 17 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.295 -0.066 18096 12401 1 17 . 1 1 97 97 ARG CB C 97 31.030 31.030 30.921 0.109 18096 12402 1 17 . 1 1 98 98 SER N N 98 118.439 118.439 116.512 1.927 18096 12403 1 17 . 1 1 98 98 SER HA H 98 4.736 4.736 4.614 0.122 18096 12404 1 17 . 1 1 98 98 SER CA C 98 56.614 56.614 57.102 -0.488 18096 12405 1 17 . 1 1 98 98 SER CB C 98 63.622 63.622 62.944 0.679 18096 12406 1 17 . 1 1 98 98 SER H H 98 8.250 8.250 8.445 -0.195 18096 12407 1 17 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.326 0.068 18096 12408 1 17 . 1 1 99 99 PRO C C 99 176.879 176.879 176.858 0.021 18096 12409 1 17 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.125 -0.428 18096 12410 1 17 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.079 -0.033 18096 12411 1 17 . 1 1 100 100 GLU N N 100 120.297 120.297 119.706 0.591 18096 12412 1 17 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.393 -0.094 18096 12413 1 17 . 1 1 100 100 GLU C C 100 176.576 176.576 175.997 0.579 18096 12414 1 17 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.615 0.852 18096 12415 1 17 . 1 1 100 100 GLU CB C 100 29.944 29.944 30.974 -1.030 18096 12416 1 17 . 1 1 100 100 GLU H H 100 8.391 8.391 7.914 0.477 18096 12417 1 17 . 1 1 101 101 THR N N 101 114.144 114.144 118.691 -4.547 18096 12418 1 17 . 1 1 101 101 THR HA H 101 4.280 4.280 4.399 -0.118 18096 12419 1 17 . 1 1 101 101 THR C C 101 174.515 174.515 174.754 -0.239 18096 12420 1 17 . 1 1 101 101 THR CA C 101 61.975 61.975 61.668 0.307 18096 12421 1 17 . 1 1 101 101 THR CB C 101 69.817 69.817 67.691 2.126 18096 12422 1 17 . 1 1 101 101 THR H H 101 7.946 7.946 8.479 -0.533 18096 12423 1 17 . 1 1 102 102 HIS N N 102 120.429 120.429 125.088 -4.659 18096 12424 1 17 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.519 0.231 18096 12425 1 17 . 1 1 102 102 HIS C C 102 174.764 174.764 176.070 -1.306 18096 12426 1 17 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.463 0.222 18096 12427 1 17 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.577 -1.332 18096 12428 1 17 . 1 1 102 102 HIS H H 102 8.459 8.459 7.883 0.576 18096 12429 1 17 . 1 1 103 103 THR N N 103 114.319 114.319 116.573 -2.254 18096 12430 1 17 . 1 1 103 103 THR HA H 103 4.345 4.345 4.266 0.079 18096 12431 1 17 . 1 1 103 103 THR C C 103 175.087 175.087 175.104 -0.017 18096 12432 1 17 . 1 1 103 103 THR CA C 103 61.976 61.976 62.813 -0.837 18096 12433 1 17 . 1 1 103 103 THR CB C 103 69.831 69.831 67.950 1.881 18096 12434 1 17 . 1 1 103 103 THR H H 103 8.068 8.068 8.502 -0.434 18096 12435 1 17 . 1 1 104 104 GLY N N 104 111.143 111.143 114.163 -3.020 18096 12436 1 17 . 1 1 104 104 GLY C C 104 174.757 174.757 175.020 -0.263 18096 12437 1 17 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.394 0.208 18096 12438 1 17 . 1 1 104 104 GLY H H 104 8.389 8.389 8.541 -0.152 18096 12439 1 17 . 1 1 105 105 GLY N N 105 108.642 108.642 109.025 -0.383 18096 12440 1 17 . 1 1 105 105 GLY C C 105 174.892 174.892 175.135 -0.243 18096 12441 1 17 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.388 1.214 18096 12442 1 17 . 1 1 105 105 GLY H H 105 8.272 8.272 8.578 -0.306 18096 12443 1 17 . 1 1 106 106 GLY N N 106 108.820 108.820 108.314 0.506 18096 12444 1 17 . 1 1 106 106 GLY C C 106 174.886 174.886 173.636 1.250 18096 12445 1 17 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.220 0.382 18096 12446 1 17 . 1 1 106 106 GLY H H 106 8.359 8.359 8.047 0.312 18096 12447 1 17 . 1 1 107 107 GLY N N 107 108.550 108.550 108.282 0.268 18096 12448 1 17 . 1 1 107 107 GLY C C 107 174.886 174.886 174.594 0.292 18096 12449 1 17 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.117 0.485 18096 12450 1 17 . 1 1 107 107 GLY H H 107 8.338 8.338 8.060 0.278 18096 12451 1 17 . 1 1 108 108 GLY N N 108 108.519 108.519 107.505 1.014 18096 12452 1 17 . 1 1 108 108 GLY C C 108 175.411 175.411 175.555 -0.144 18096 12453 1 17 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.644 1.163 18096 12454 1 17 . 1 1 108 108 GLY H H 108 8.336 8.336 8.682 -0.346 18096 12455 1 17 . 1 1 109 109 ILE N N 109 120.914 120.914 122.230 -1.316 18096 12456 1 17 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.811 0.165 18096 12457 1 17 . 1 1 109 109 ILE C C 109 176.019 176.019 176.438 -0.419 18096 12458 1 17 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.004 -1.077 18096 12459 1 17 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.158 0.915 18096 12460 1 17 . 1 1 109 109 ILE H H 109 8.233 8.233 8.201 0.032 18096 12461 1 17 . 1 1 110 110 ASP N N 110 121.149 121.149 118.460 2.689 18096 12462 1 17 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.333 -0.081 18096 12463 1 17 . 1 1 110 110 ASP C C 110 177.648 177.648 178.359 -0.711 18096 12464 1 17 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.232 -0.431 18096 12465 1 17 . 1 1 110 110 ASP CB C 110 40.181 40.181 39.154 1.027 18096 12466 1 17 . 1 1 110 110 ASP H H 110 8.369 8.369 8.497 -0.128 18096 12467 1 17 . 1 1 111 111 ARG N N 111 119.198 119.198 119.426 -0.228 18096 12468 1 17 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.031 -0.042 18096 12469 1 17 . 1 1 111 111 ARG C C 111 177.502 177.502 178.809 -1.307 18096 12470 1 17 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.387 0.333 18096 12471 1 17 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.859 0.244 18096 12472 1 17 . 1 1 111 111 ARG H H 111 7.835 7.835 8.045 -0.210 18096 12473 1 17 . 1 1 112 112 LEU N N 112 118.935 118.935 120.531 -1.596 18096 12474 1 17 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.015 -0.012 18096 12475 1 17 . 1 1 112 112 LEU C C 112 178.356 178.356 178.284 0.072 18096 12476 1 17 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.857 -0.622 18096 12477 1 17 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.988 -0.245 18096 12478 1 17 . 1 1 112 112 LEU H H 112 7.783 7.783 8.216 -0.433 18096 12479 1 17 . 1 1 113 113 PHE N N 113 116.117 116.117 119.485 -3.368 18096 12480 1 17 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.168 -0.084 18096 12481 1 17 . 1 1 113 113 PHE C C 113 177.092 177.092 177.326 -0.234 18096 12482 1 17 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.867 1.524 18096 12483 1 17 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.682 0.209 18096 12484 1 17 . 1 1 113 113 PHE H H 113 8.072 8.072 7.721 0.351 18096 12485 1 17 . 1 1 114 114 LEU N N 114 118.710 118.710 118.858 -0.148 18096 12486 1 17 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.571 0.430 18096 12487 1 17 . 1 1 114 114 LEU C C 114 178.210 178.210 178.334 -0.124 18096 12488 1 17 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.038 -0.528 18096 12489 1 17 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.516 0.268 18096 12490 1 17 . 1 1 114 114 LEU H H 114 7.881 7.881 7.482 0.399 18096 12491 1 17 . 1 1 115 115 TRP N N 115 117.801 117.801 120.623 -2.822 18096 12492 1 17 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.456 -0.174 18096 12493 1 17 . 1 1 115 115 TRP C C 115 178.536 178.536 178.671 -0.135 18096 12494 1 17 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.374 0.370 18096 12495 1 17 . 1 1 115 115 TRP CB C 115 29.125 29.125 30.183 -1.058 18096 12496 1 17 . 1 1 115 115 TRP H H 115 7.925 7.925 7.652 0.273 18096 12497 1 17 . 1 1 116 116 ILE N N 116 118.212 118.212 119.781 -1.569 18096 12498 1 17 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.847 -0.153 18096 12499 1 17 . 1 1 116 116 ILE C C 116 177.423 177.423 177.876 -0.453 18096 12500 1 17 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.397 0.590 18096 12501 1 17 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.871 0.280 18096 12502 1 17 . 1 1 116 116 ILE H H 116 8.355 8.355 8.915 -0.560 18096 12503 1 17 . 1 1 117 117 PHE N N 117 119.509 119.509 119.583 -0.074 18096 12504 1 17 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.188 -0.094 18096 12505 1 17 . 1 1 117 117 PHE C C 117 177.389 177.389 177.168 0.221 18096 12506 1 17 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.122 0.823 18096 12507 1 17 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.161 -0.222 18096 12508 1 17 . 1 1 117 117 PHE H H 117 8.419 8.419 7.532 0.887 18096 12509 1 17 . 1 1 118 118 VAL N N 118 118.927 118.927 118.724 0.203 18096 12510 1 17 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.514 -0.004 18096 12511 1 17 . 1 1 118 118 VAL C C 118 177.452 177.452 178.251 -0.799 18096 12512 1 17 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.261 1.179 18096 12513 1 17 . 1 1 118 118 VAL CB C 118 31.462 31.462 30.907 0.555 18096 12514 1 17 . 1 1 118 118 VAL H H 118 8.509 8.509 7.570 0.939 18096 12515 1 17 . 1 1 119 119 PHE N N 119 118.638 118.638 121.431 -2.793 18096 12516 1 17 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.104 -0.064 18096 12517 1 17 . 1 1 119 119 PHE C C 119 177.403 177.403 177.329 0.074 18096 12518 1 17 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.448 1.155 18096 12519 1 17 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.901 0.244 18096 12520 1 17 . 1 1 119 119 PHE H H 119 8.477 8.477 8.444 0.033 18096 12521 1 17 . 1 1 120 120 VAL N N 120 118.660 118.660 119.275 -0.615 18096 12522 1 17 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.385 0.082 18096 12523 1 17 . 1 1 120 120 VAL C C 120 177.851 177.851 177.707 0.144 18096 12524 1 17 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.232 2.204 18096 12525 1 17 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.000 0.659 18096 12526 1 17 . 1 1 120 120 VAL H H 120 8.705 8.705 7.470 1.235 18096 12527 1 17 . 1 1 121 121 CYS N N 121 117.055 117.055 118.851 -1.796 18096 12528 1 17 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.981 -0.079 18096 12529 1 17 . 1 1 121 121 CYS C C 121 177.629 177.629 176.639 0.990 18096 12530 1 17 . 1 1 121 121 CYS CA C 121 64.339 64.339 64.214 0.125 18096 12531 1 17 . 1 1 121 121 CYS CB C 121 26.789 26.789 27.624 -0.835 18096 12532 1 17 . 1 1 121 121 CYS H H 121 7.981 7.981 8.405 -0.424 18096 12533 1 17 . 1 1 122 122 VAL N N 122 120.422 120.422 120.127 0.295 18096 12534 1 17 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.519 -0.040 18096 12535 1 17 . 1 1 122 122 VAL C C 122 176.923 176.923 178.001 -1.078 18096 12536 1 17 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.683 0.578 18096 12537 1 17 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.288 0.838 18096 12538 1 17 . 1 1 122 122 VAL H H 122 8.487 8.487 8.058 0.429 18096 12539 1 17 . 1 1 123 123 PHE N N 123 117.927 117.927 120.371 -2.444 18096 12540 1 17 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.071 -0.037 18096 12541 1 17 . 1 1 123 123 PHE C C 123 178.151 178.151 177.393 0.758 18096 12542 1 17 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.944 0.151 18096 12543 1 17 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.648 -0.011 18096 12544 1 17 . 1 1 123 123 PHE H H 123 8.630 8.630 7.995 0.635 18096 12545 1 17 . 1 1 124 124 GLY N N 124 106.539 106.539 106.304 0.235 18096 12546 1 17 . 1 1 124 124 GLY C C 124 174.290 174.290 176.130 -1.840 18096 12547 1 17 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.424 0.127 18096 12548 1 17 . 1 1 124 124 GLY H H 124 8.689 8.689 7.969 0.720 18096 12549 1 17 . 1 1 125 125 THR N N 125 117.059 117.059 119.232 -2.173 18096 12550 1 17 . 1 1 125 125 THR HA H 125 3.649 3.649 3.883 -0.234 18096 12551 1 17 . 1 1 125 125 THR C C 125 176.231 176.231 176.750 -0.519 18096 12552 1 17 . 1 1 125 125 THR CA C 125 67.989 67.989 67.525 0.465 18096 12553 1 17 . 1 1 125 125 THR H H 125 7.553 7.553 8.263 -0.710 18096 12554 1 17 . 1 1 126 126 ILE N N 126 119.538 119.538 120.766 -1.228 18096 12555 1 17 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.741 -0.093 18096 12556 1 17 . 1 1 126 126 ILE C C 126 177.976 177.976 178.357 -0.381 18096 12557 1 17 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.869 1.846 18096 12558 1 17 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.569 1.261 18096 12559 1 17 . 1 1 126 126 ILE H H 126 8.003 8.003 7.987 0.016 18096 12560 1 17 . 1 1 127 127 GLY N N 127 105.404 105.404 108.540 -3.136 18096 12561 1 17 . 1 1 127 127 GLY C C 127 174.597 174.597 175.918 -1.321 18096 12562 1 17 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.917 0.652 18096 12563 1 17 . 1 1 127 127 GLY H H 127 8.438 8.438 8.068 0.370 18096 12564 1 17 . 1 1 128 128 MET N N 128 117.893 117.893 118.209 -0.316 18096 12565 1 17 . 1 1 128 128 MET HA H 128 4.153 4.153 4.422 -0.269 18096 12566 1 17 . 1 1 128 128 MET C C 128 177.815 177.815 177.775 0.040 18096 12567 1 17 . 1 1 128 128 MET CA C 128 58.198 58.198 57.530 0.668 18096 12568 1 17 . 1 1 128 128 MET CB C 128 32.113 32.113 33.022 -0.909 18096 12569 1 17 . 1 1 128 128 MET H H 128 7.821 7.821 7.452 0.369 18096 12570 1 17 . 1 1 129 129 PHE N N 129 116.018 116.018 121.511 -5.493 18096 12571 1 17 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.224 -0.090 18096 12572 1 17 . 1 1 129 129 PHE C C 129 175.863 175.863 175.491 0.372 18096 12573 1 17 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.639 -0.824 18096 12574 1 17 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.147 -0.057 18096 12575 1 17 . 1 1 129 129 PHE H H 129 7.797 7.797 8.310 -0.513 18096 12576 1 17 . 1 1 130 130 LEU N N 130 115.806 115.806 117.707 -1.901 18096 12577 1 17 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.181 0.157 18096 12578 1 17 . 1 1 130 130 LEU C C 130 177.219 177.219 177.348 -0.129 18096 12579 1 17 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.027 0.440 18096 12580 1 17 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.251 0.173 18096 12581 1 17 . 1 1 130 130 LEU H H 130 7.745 7.745 7.611 0.134 18096 12582 1 17 . 1 1 131 131 GLN N N 131 118.630 118.630 119.559 -0.929 18096 12583 1 17 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.130 -0.026 18096 12584 1 17 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.062 2.257 18096 12585 1 17 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.216 -0.395 18096 12586 1 17 . 1 1 131 131 GLN H H 131 7.808 7.808 7.384 0.424 18096 12587 1 17 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.361 0.012 18096 12588 1 17 . 1 1 132 132 PRO C C 132 177.739 177.739 177.096 0.643 18096 12589 1 17 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.490 2.893 18096 12590 1 17 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.170 -0.644 18096 12591 1 17 . 1 1 133 133 LEU N N 133 115.632 115.632 118.100 -2.468 18096 12592 1 17 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.127 -0.063 18096 12593 1 17 . 1 1 133 133 LEU C C 133 176.918 176.918 176.437 0.481 18096 12594 1 17 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.584 -0.183 18096 12595 1 17 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.130 -0.141 18096 12596 1 17 . 1 1 133 133 LEU H H 133 7.689 7.689 8.247 -0.558 18096 12597 1 17 . 1 1 134 134 PHE N N 134 114.807 114.807 116.592 -1.785 18096 12598 1 17 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.649 -0.120 18096 12599 1 17 . 1 1 134 134 PHE C C 134 175.245 175.245 175.042 0.203 18096 12600 1 17 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.610 0.128 18096 12601 1 17 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.792 -0.183 18096 12602 1 17 . 1 1 134 134 PHE H H 134 7.679 7.679 7.389 0.290 18096 12603 1 17 . 1 1 135 135 GLN N N 135 118.318 118.318 119.591 -1.273 18096 12604 1 17 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.023 0.292 18096 12605 1 17 . 1 1 135 135 GLN C C 135 175.361 175.361 175.162 0.199 18096 12606 1 17 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.489 -1.383 18096 12607 1 17 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.079 0.787 18096 12608 1 17 . 1 1 135 135 GLN H H 135 7.651 7.651 8.825 -1.174 18096 12609 1 17 . 1 1 136 136 GLU N N 136 120.684 120.684 120.081 0.603 18096 12610 1 17 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.266 0.045 18096 12611 1 17 . 1 1 136 136 GLU C C 136 175.153 175.153 175.432 -0.279 18096 12612 1 17 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.804 -0.329 18096 12613 1 17 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.651 1.581 18096 12614 1 17 . 1 1 136 136 GLU H H 136 8.109 8.109 8.619 -0.510 18096 12615 1 18 . 1 1 3 3 ALA N N 3 124.656 124.656 123.311 1.345 18096 12616 1 18 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.528 -0.322 18096 12617 1 18 . 1 1 3 3 ALA C C 3 178.133 178.133 175.993 2.140 18096 12618 1 18 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.857 1.828 18096 12619 1 18 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.625 -1.542 18096 12620 1 18 . 1 1 3 3 ALA H H 3 8.402 8.402 8.072 0.330 18096 12621 1 18 . 1 1 4 4 GLU N N 4 117.439 117.439 119.883 -2.444 18096 12622 1 18 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.417 -0.288 18096 12623 1 18 . 1 1 4 4 GLU C C 4 176.534 176.534 174.939 1.595 18096 12624 1 18 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.252 1.172 18096 12625 1 18 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.314 0.570 18096 12626 1 18 . 1 1 4 4 GLU H H 4 8.219 8.219 8.451 -0.232 18096 12627 1 18 . 1 1 5 5 GLU N N 5 118.815 118.815 118.214 0.601 18096 12628 1 18 . 1 1 5 5 GLU HA H 5 4.211 4.211 3.965 0.246 18096 12629 1 18 . 1 1 5 5 GLU C C 5 176.604 176.604 175.458 1.146 18096 12630 1 18 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.220 -0.269 18096 12631 1 18 . 1 1 5 5 GLU CB C 5 29.962 29.962 28.460 1.502 18096 12632 1 18 . 1 1 5 5 GLU H H 5 7.992 7.992 8.479 -0.487 18096 12633 1 18 . 1 1 6 6 GLU N N 6 121.446 121.446 123.586 -2.140 18096 12634 1 18 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.397 -0.213 18096 12635 1 18 . 1 1 6 6 GLU CA C 6 57.421 57.421 56.687 0.734 18096 12636 1 18 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.894 0.089 18096 12637 1 18 . 1 1 6 6 GLU H H 6 8.148 8.148 8.694 -0.546 18096 12638 1 18 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.432 -0.169 18096 12639 1 18 . 1 1 7 7 PRO C C 7 178.717 178.717 178.472 0.245 18096 12640 1 18 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.294 0.235 18096 12641 1 18 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.473 -0.150 18096 12642 1 18 . 1 1 8 8 LEU N N 8 119.642 119.642 119.227 0.415 18096 12643 1 18 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.253 -0.301 18096 12644 1 18 . 1 1 8 8 LEU C C 8 177.905 177.905 177.956 -0.051 18096 12645 1 18 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.744 1.187 18096 12646 1 18 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.855 -0.082 18096 12647 1 18 . 1 1 8 8 LEU H H 8 8.222 8.222 7.908 0.314 18096 12648 1 18 . 1 1 9 9 PHE N N 9 118.625 118.625 119.623 -0.998 18096 12649 1 18 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.204 -0.032 18096 12650 1 18 . 1 1 9 9 PHE C C 9 177.620 177.620 176.853 0.767 18096 12651 1 18 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.296 0.776 18096 12652 1 18 . 1 1 9 9 PHE CB C 9 38.838 38.838 38.928 -0.090 18096 12653 1 18 . 1 1 9 9 PHE H H 9 8.071 8.071 7.691 0.380 18096 12654 1 18 . 1 1 10 10 TYR N N 10 117.829 117.829 119.294 -1.465 18096 12655 1 18 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.089 0.101 18096 12656 1 18 . 1 1 10 10 TYR C C 10 177.743 177.743 177.530 0.213 18096 12657 1 18 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.281 -1.072 18096 12658 1 18 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.971 -0.256 18096 12659 1 18 . 1 1 10 10 TYR H H 10 8.204 8.204 7.853 0.351 18096 12660 1 18 . 1 1 11 11 THR N N 11 115.545 115.545 114.562 0.983 18096 12661 1 18 . 1 1 11 11 THR HA H 11 3.875 3.875 4.032 -0.157 18096 12662 1 18 . 1 1 11 11 THR C C 11 175.937 175.937 176.677 -0.740 18096 12663 1 18 . 1 1 11 11 THR CA C 11 67.187 67.187 65.771 1.416 18096 12664 1 18 . 1 1 11 11 THR CB C 11 68.579 68.579 68.448 0.131 18096 12665 1 18 . 1 1 11 11 THR H H 11 7.934 7.934 8.160 -0.226 18096 12666 1 18 . 1 1 12 12 ILE N N 12 120.096 120.096 120.355 -0.259 18096 12667 1 18 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.713 -0.031 18096 12668 1 18 . 1 1 12 12 ILE C C 12 175.863 175.863 177.525 -1.662 18096 12669 1 18 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.225 -0.404 18096 12670 1 18 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.699 0.257 18096 12671 1 18 . 1 1 12 12 ILE H H 12 8.172 8.172 7.864 0.308 18096 12672 1 18 . 1 1 13 13 ASN N N 13 114.444 114.444 117.145 -2.701 18096 12673 1 18 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.375 0.018 18096 12674 1 18 . 1 1 13 13 ASN C C 13 174.880 174.880 176.004 -1.124 18096 12675 1 18 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.309 -0.052 18096 12676 1 18 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.148 1.397 18096 12677 1 18 . 1 1 13 13 ASN H H 13 7.731 7.731 7.551 0.180 18096 12678 1 18 . 1 1 14 14 LEU N N 14 115.306 115.306 119.549 -4.243 18096 12679 1 18 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.426 -0.080 18096 12680 1 18 . 1 1 14 14 LEU C C 14 177.427 177.427 177.764 -0.337 18096 12681 1 18 . 1 1 14 14 LEU CA C 14 56.370 56.370 57.261 -0.891 18096 12682 1 18 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.699 -0.933 18096 12683 1 18 . 1 1 14 14 LEU H H 14 7.381 7.381 7.361 0.020 18096 12684 1 18 . 1 1 15 15 ILE N N 15 117.935 117.935 119.644 -1.709 18096 12685 1 18 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.913 -0.315 18096 12686 1 18 . 1 1 15 15 ILE CA C 15 65.452 65.452 62.330 3.122 18096 12687 1 18 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.907 0.774 18096 12688 1 18 . 1 1 15 15 ILE H H 15 8.135 8.135 7.210 0.925 18096 12689 1 18 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.377 -0.331 18096 12690 1 18 . 1 1 17 17 PRO C C 17 177.518 177.518 179.105 -1.587 18096 12691 1 18 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.707 0.938 18096 12692 1 18 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.984 -0.018 18096 12693 1 18 . 1 1 18 18 CYS N N 18 113.411 113.411 118.489 -5.078 18096 12694 1 18 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.245 -0.294 18096 12695 1 18 . 1 1 18 18 CYS C C 18 177.617 177.617 177.034 0.583 18096 12696 1 18 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.262 1.226 18096 12697 1 18 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.015 -0.247 18096 12698 1 18 . 1 1 18 18 CYS H H 18 7.338 7.338 7.708 -0.370 18096 12699 1 18 . 1 1 19 19 VAL N N 19 121.720 121.720 119.315 2.405 18096 12700 1 18 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.672 -0.151 18096 12701 1 18 . 1 1 19 19 VAL C C 19 178.069 178.069 178.209 -0.140 18096 12702 1 18 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.661 0.404 18096 12703 1 18 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.292 0.460 18096 12704 1 18 . 1 1 19 19 VAL H H 19 8.587 8.587 7.896 0.691 18096 12705 1 18 . 1 1 20 20 LEU N N 20 121.731 121.731 120.330 1.401 18096 12706 1 18 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.852 0.169 18096 12707 1 18 . 1 1 20 20 LEU C C 20 177.989 177.989 179.060 -1.071 18096 12708 1 18 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.355 0.294 18096 12709 1 18 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.861 0.073 18096 12710 1 18 . 1 1 20 20 LEU H H 20 8.344 8.344 7.472 0.872 18096 12711 1 18 . 1 1 21 21 ILE N N 21 117.403 117.403 119.547 -2.144 18096 12712 1 18 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.615 0.054 18096 12713 1 18 . 1 1 21 21 ILE C C 21 176.947 176.947 178.406 -1.459 18096 12714 1 18 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.794 -0.438 18096 12715 1 18 . 1 1 21 21 ILE CB C 21 37.918 37.918 38.058 -0.140 18096 12716 1 18 . 1 1 21 21 ILE H H 21 8.371 8.371 8.501 -0.130 18096 12717 1 18 . 1 1 22 22 THR N N 22 115.544 115.544 115.774 -0.230 18096 12718 1 18 . 1 1 22 22 THR HA H 22 3.681 3.681 4.000 -0.319 18096 12719 1 18 . 1 1 22 22 THR C C 22 176.073 176.073 176.556 -0.483 18096 12720 1 18 . 1 1 22 22 THR CA C 22 68.152 68.152 67.734 0.418 18096 12721 1 18 . 1 1 22 22 THR CB C 22 68.428 68.428 68.596 -0.167 18096 12722 1 18 . 1 1 22 22 THR H H 22 7.829 7.829 7.642 0.187 18096 12723 1 18 . 1 1 23 23 SER N N 23 116.192 116.192 117.387 -1.195 18096 12724 1 18 . 1 1 23 23 SER HA H 23 4.023 4.023 4.088 -0.065 18096 12725 1 18 . 1 1 23 23 SER C C 23 175.279 175.279 176.344 -1.065 18096 12726 1 18 . 1 1 23 23 SER CA C 23 63.884 63.884 61.531 2.353 18096 12727 1 18 . 1 1 23 23 SER CB C 23 62.971 62.971 63.016 -0.045 18096 12728 1 18 . 1 1 23 23 SER H H 23 8.069 8.069 7.707 0.362 18096 12729 1 18 . 1 1 24 24 LEU N N 24 120.855 120.855 121.266 -0.411 18096 12730 1 18 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.021 -0.040 18096 12731 1 18 . 1 1 24 24 LEU C C 24 177.542 177.542 178.561 -1.019 18096 12732 1 18 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.437 -0.401 18096 12733 1 18 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.794 0.147 18096 12734 1 18 . 1 1 24 24 LEU H H 24 7.858 7.858 7.919 -0.061 18096 12735 1 18 . 1 1 25 25 ALA N N 25 119.507 119.507 119.483 0.024 18096 12736 1 18 . 1 1 25 25 ALA HA H 25 3.940 3.940 3.980 -0.040 18096 12737 1 18 . 1 1 25 25 ALA C C 25 177.915 177.915 179.093 -1.178 18096 12738 1 18 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.477 1.135 18096 12739 1 18 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.175 0.076 18096 12740 1 18 . 1 1 25 25 ALA H H 25 8.141 8.141 7.802 0.339 18096 12741 1 18 . 1 1 26 26 ILE N N 26 115.689 115.689 119.815 -4.126 18096 12742 1 18 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.684 0.114 18096 12743 1 18 . 1 1 26 26 ILE C C 26 177.729 177.729 177.488 0.241 18096 12744 1 18 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.976 0.364 18096 12745 1 18 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.369 -0.539 18096 12746 1 18 . 1 1 26 26 ILE H H 26 8.012 8.012 7.538 0.474 18096 12747 1 18 . 1 1 27 27 LEU N N 27 118.567 118.567 120.146 -1.579 18096 12748 1 18 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.996 0.010 18096 12749 1 18 . 1 1 27 27 LEU C C 27 178.364 178.364 179.322 -0.958 18096 12750 1 18 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.259 0.478 18096 12751 1 18 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.924 -0.087 18096 12752 1 18 . 1 1 27 27 LEU H H 27 8.045 8.045 8.490 -0.445 18096 12753 1 18 . 1 1 28 28 VAL N N 28 113.720 113.720 117.823 -4.103 18096 12754 1 18 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.891 -0.316 18096 12755 1 18 . 1 1 28 28 VAL C C 28 177.809 177.809 177.495 0.314 18096 12756 1 18 . 1 1 28 28 VAL CA C 28 66.013 66.013 65.712 0.301 18096 12757 1 18 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.928 0.122 18096 12758 1 18 . 1 1 28 28 VAL H H 28 8.008 8.008 7.610 0.398 18096 12759 1 18 . 1 1 29 29 PHE N N 29 115.458 115.458 117.572 -2.114 18096 12760 1 18 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.347 -0.138 18096 12761 1 18 . 1 1 29 29 PHE C C 29 176.366 176.366 177.043 -0.677 18096 12762 1 18 . 1 1 29 29 PHE CA C 29 60.858 60.858 59.690 1.168 18096 12763 1 18 . 1 1 29 29 PHE CB C 29 39.597 39.597 38.925 0.672 18096 12764 1 18 . 1 1 29 29 PHE H H 29 7.915 7.915 7.755 0.160 18096 12765 1 18 . 1 1 30 30 TYR N N 30 115.649 115.649 117.542 -1.893 18096 12766 1 18 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.475 -0.234 18096 12767 1 18 . 1 1 30 30 TYR C C 30 175.388 175.388 176.158 -0.770 18096 12768 1 18 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.274 -0.888 18096 12769 1 18 . 1 1 30 30 TYR CB C 30 39.640 39.640 40.089 -0.449 18096 12770 1 18 . 1 1 30 30 TYR H H 30 8.002 8.002 8.133 -0.131 18096 12771 1 18 . 1 1 31 31 LEU N N 31 121.144 121.144 121.206 -0.062 18096 12772 1 18 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.861 -0.413 18096 12773 1 18 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.313 1.836 18096 12774 1 18 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.408 -1.072 18096 12775 1 18 . 1 1 31 31 LEU H H 31 7.514 7.514 7.651 -0.137 18096 12776 1 18 . 1 1 32 32 PRO C C 32 176.530 176.530 176.636 -0.106 18096 12777 1 18 . 1 1 33 33 SER N N 33 115.448 115.448 119.391 -3.943 18096 12778 1 18 . 1 1 33 33 SER HA H 33 4.317 4.317 4.514 -0.197 18096 12779 1 18 . 1 1 33 33 SER C C 33 174.174 174.174 175.341 -1.167 18096 12780 1 18 . 1 1 33 33 SER CA C 33 59.954 59.954 57.927 2.027 18096 12781 1 18 . 1 1 33 33 SER H H 33 8.370 8.370 8.002 0.368 18096 12782 1 18 . 1 1 34 34 ASP N N 34 119.694 119.694 122.068 -2.374 18096 12783 1 18 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.682 -0.097 18096 12784 1 18 . 1 1 34 34 ASP C C 34 175.971 175.971 175.839 0.132 18096 12785 1 18 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.613 -1.171 18096 12786 1 18 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.663 0.577 18096 12787 1 18 . 1 1 34 34 ASP H H 34 8.209 8.209 8.988 -0.779 18096 12788 1 18 . 1 1 35 35 CYS N N 35 114.872 114.872 118.047 -3.175 18096 12789 1 18 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.662 -0.459 18096 12790 1 18 . 1 1 35 35 CYS C C 35 175.147 175.147 175.888 -0.741 18096 12791 1 18 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.415 2.706 18096 12792 1 18 . 1 1 35 35 CYS CB C 35 27.886 27.886 27.360 0.526 18096 12793 1 18 . 1 1 35 35 CYS H H 35 7.750 7.750 7.736 0.014 18096 12794 1 18 . 1 1 36 36 GLY N N 36 110.059 110.059 109.355 0.704 18096 12795 1 18 . 1 1 36 36 GLY C C 36 174.391 174.391 175.178 -0.787 18096 12796 1 18 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.571 0.716 18096 12797 1 18 . 1 1 36 36 GLY H H 36 8.357 8.357 7.842 0.515 18096 12798 1 18 . 1 1 37 37 GLU N N 37 121.785 121.785 120.171 1.614 18096 12799 1 18 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.005 0.061 18096 12800 1 18 . 1 1 37 37 GLU C C 37 176.536 176.536 177.742 -1.206 18096 12801 1 18 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.072 -0.546 18096 12802 1 18 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.857 -0.127 18096 12803 1 18 . 1 1 37 37 GLU H H 37 8.359 8.359 8.662 -0.303 18096 12804 1 18 . 1 1 38 38 LYS N N 38 123.927 123.927 118.762 5.165 18096 12805 1 18 . 1 1 38 38 LYS HA H 38 4.123 4.123 4.005 0.118 18096 12806 1 18 . 1 1 38 38 LYS C C 38 177.544 177.544 178.542 -0.998 18096 12807 1 18 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.544 -0.974 18096 12808 1 18 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.663 0.014 18096 12809 1 18 . 1 1 38 38 LYS H H 38 8.226 8.226 8.498 -0.272 18096 12810 1 18 . 1 1 39 39 MET N N 39 117.932 117.932 118.145 -0.213 18096 12811 1 18 . 1 1 39 39 MET HA H 39 4.135 4.135 4.234 -0.099 18096 12812 1 18 . 1 1 39 39 MET C C 39 178.602 178.602 178.338 0.264 18096 12813 1 18 . 1 1 39 39 MET CA C 39 58.851 58.851 59.708 -0.856 18096 12814 1 18 . 1 1 39 39 MET CB C 39 32.220 32.220 32.137 0.083 18096 12815 1 18 . 1 1 39 39 MET H H 39 8.262 8.262 8.178 0.084 18096 12816 1 18 . 1 1 40 40 THR N N 40 117.201 117.201 115.799 1.402 18096 12817 1 18 . 1 1 40 40 THR HA H 40 3.673 3.673 3.987 -0.314 18096 12818 1 18 . 1 1 40 40 THR C C 40 175.927 175.927 176.763 -0.836 18096 12819 1 18 . 1 1 40 40 THR CA C 40 67.352 67.352 65.977 1.375 18096 12820 1 18 . 1 1 40 40 THR H H 40 8.341 8.341 7.733 0.608 18096 12821 1 18 . 1 1 41 41 LEU N N 41 120.040 120.040 122.699 -2.659 18096 12822 1 18 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.084 -0.032 18096 12823 1 18 . 1 1 41 41 LEU C C 41 177.809 177.809 178.135 -0.326 18096 12824 1 18 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.715 -0.328 18096 12825 1 18 . 1 1 41 41 LEU H H 41 8.181 8.181 7.824 0.357 18096 12826 1 18 . 1 1 42 42 CYS N N 42 117.556 117.556 117.820 -0.264 18096 12827 1 18 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.037 -0.085 18096 12828 1 18 . 1 1 42 42 CYS C C 42 176.460 176.460 177.285 -0.825 18096 12829 1 18 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.329 1.167 18096 12830 1 18 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.506 -0.673 18096 12831 1 18 . 1 1 42 42 CYS H H 42 7.949 7.949 7.679 0.270 18096 12832 1 18 . 1 1 43 43 ILE N N 43 117.336 117.336 120.148 -2.812 18096 12833 1 18 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.685 -0.056 18096 12834 1 18 . 1 1 43 43 ILE C C 43 177.256 177.256 177.565 -0.309 18096 12835 1 18 . 1 1 43 43 ILE CA C 43 65.075 65.075 65.125 -0.050 18096 12836 1 18 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.774 0.170 18096 12837 1 18 . 1 1 43 43 ILE H H 43 8.347 8.347 7.813 0.534 18096 12838 1 18 . 1 1 44 44 SER N N 44 116.243 116.243 116.725 -0.482 18096 12839 1 18 . 1 1 44 44 SER HA H 44 4.083 4.083 4.232 -0.149 18096 12840 1 18 . 1 1 44 44 SER C C 44 176.305 176.305 176.589 -0.284 18096 12841 1 18 . 1 1 44 44 SER CA C 44 63.348 63.348 62.248 1.100 18096 12842 1 18 . 1 1 44 44 SER CB C 44 62.954 62.954 63.071 -0.117 18096 12843 1 18 . 1 1 44 44 SER H H 44 8.064 8.064 8.049 0.015 18096 12844 1 18 . 1 1 45 45 VAL N N 45 120.333 120.333 121.903 -1.570 18096 12845 1 18 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.763 -0.247 18096 12846 1 18 . 1 1 45 45 VAL C C 45 177.247 177.247 177.939 -0.692 18096 12847 1 18 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.767 0.171 18096 12848 1 18 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.568 0.192 18096 12849 1 18 . 1 1 45 45 VAL H H 45 8.036 8.036 7.913 0.123 18096 12850 1 18 . 1 1 46 46 LEU N N 46 119.430 119.430 120.554 -1.124 18096 12851 1 18 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.069 -0.121 18096 12852 1 18 . 1 1 46 46 LEU C C 46 180.032 180.032 178.576 1.456 18096 12853 1 18 . 1 1 46 46 LEU CA C 46 58.526 58.526 58.242 0.284 18096 12854 1 18 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.968 0.017 18096 12855 1 18 . 1 1 46 46 LEU H H 46 7.959 7.959 7.421 0.538 18096 12856 1 18 . 1 1 47 47 LEU N N 47 121.110 121.110 119.499 1.611 18096 12857 1 18 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.868 0.130 18096 12858 1 18 . 1 1 47 47 LEU C C 47 177.985 177.985 178.571 -0.586 18096 12859 1 18 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.140 0.299 18096 12860 1 18 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.633 0.413 18096 12861 1 18 . 1 1 47 47 LEU H H 47 8.695 8.695 8.050 0.645 18096 12862 1 18 . 1 1 48 48 ALA N N 48 121.251 121.251 120.945 0.306 18096 12863 1 18 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.930 -0.085 18096 12864 1 18 . 1 1 48 48 ALA C C 48 178.834 178.834 179.421 -0.587 18096 12865 1 18 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.004 0.705 18096 12866 1 18 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.127 0.006 18096 12867 1 18 . 1 1 48 48 ALA H H 48 8.272 8.272 8.151 0.121 18096 12868 1 18 . 1 1 49 49 LEU N N 49 116.290 116.290 119.671 -3.381 18096 12869 1 18 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.283 -0.286 18096 12870 1 18 . 1 1 49 49 LEU C C 49 178.068 178.068 178.847 -0.779 18096 12871 1 18 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.926 0.382 18096 12872 1 18 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.858 0.088 18096 12873 1 18 . 1 1 49 49 LEU H H 49 8.526 8.526 7.724 0.802 18096 12874 1 18 . 1 1 50 50 THR N N 50 115.495 115.495 115.966 -0.471 18096 12875 1 18 . 1 1 50 50 THR HA H 50 3.692 3.692 3.928 -0.236 18096 12876 1 18 . 1 1 50 50 THR C C 50 176.061 176.061 176.745 -0.684 18096 12877 1 18 . 1 1 50 50 THR CA C 50 68.786 68.786 67.249 1.537 18096 12878 1 18 . 1 1 50 50 THR H H 50 7.996 7.996 7.538 0.458 18096 12879 1 18 . 1 1 51 51 VAL N N 51 119.977 119.977 121.062 -1.085 18096 12880 1 18 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.614 -0.118 18096 12881 1 18 . 1 1 51 51 VAL C C 51 177.063 177.063 177.663 -0.600 18096 12882 1 18 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.329 1.034 18096 12883 1 18 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.226 0.392 18096 12884 1 18 . 1 1 51 51 VAL H H 51 8.145 8.145 7.574 0.571 18096 12885 1 18 . 1 1 52 52 PHE N N 52 118.836 118.836 118.926 -0.090 18096 12886 1 18 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.209 -0.107 18096 12887 1 18 . 1 1 52 52 PHE C C 52 176.721 176.721 177.795 -1.074 18096 12888 1 18 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.057 -0.418 18096 12889 1 18 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.301 1.028 18096 12890 1 18 . 1 1 52 52 PHE H H 52 8.354 8.354 7.461 0.893 18096 12891 1 18 . 1 1 53 53 LEU N N 53 117.271 117.271 120.080 -2.809 18096 12892 1 18 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.931 -0.059 18096 12893 1 18 . 1 1 53 53 LEU C C 53 179.184 179.184 178.929 0.255 18096 12894 1 18 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.308 -0.451 18096 12895 1 18 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.832 0.163 18096 12896 1 18 . 1 1 53 53 LEU H H 53 8.438 8.438 7.696 0.742 18096 12897 1 18 . 1 1 54 54 LEU N N 54 119.310 119.310 118.879 0.431 18096 12898 1 18 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.984 0.023 18096 12899 1 18 . 1 1 54 54 LEU C C 54 179.224 179.224 178.857 0.367 18096 12900 1 18 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.913 0.175 18096 12901 1 18 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.832 0.197 18096 12902 1 18 . 1 1 54 54 LEU H H 54 8.147 8.147 7.494 0.653 18096 12903 1 18 . 1 1 55 55 LEU N N 55 118.400 118.400 120.094 -1.694 18096 12904 1 18 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.948 0.152 18096 12905 1 18 . 1 1 55 55 LEU C C 55 178.974 178.974 179.180 -0.206 18096 12906 1 18 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.986 -1.125 18096 12907 1 18 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.205 -0.233 18096 12908 1 18 . 1 1 55 55 LEU H H 55 8.096 8.096 7.531 0.565 18096 12909 1 18 . 1 1 56 56 ILE N N 56 115.919 115.919 116.285 -0.366 18096 12910 1 18 . 1 1 56 56 ILE HA H 56 3.856 3.856 4.198 -0.342 18096 12911 1 18 . 1 1 56 56 ILE C C 56 176.763 176.763 177.621 -0.858 18096 12912 1 18 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.670 -0.159 18096 12913 1 18 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.956 -0.268 18096 12914 1 18 . 1 1 56 56 ILE H H 56 8.028 8.028 7.715 0.313 18096 12915 1 18 . 1 1 57 57 SER N N 57 114.862 114.862 114.598 0.264 18096 12916 1 18 . 1 1 57 57 SER HA H 57 4.178 4.178 4.206 -0.028 18096 12917 1 18 . 1 1 57 57 SER C C 57 175.258 175.258 175.815 -0.557 18096 12918 1 18 . 1 1 57 57 SER CA C 57 60.946 60.946 61.055 -0.109 18096 12919 1 18 . 1 1 57 57 SER CB C 57 63.558 63.558 63.470 0.088 18096 12920 1 18 . 1 1 57 57 SER H H 57 7.689 7.689 8.249 -0.560 18096 12921 1 18 . 1 1 58 58 LYS N N 58 118.080 118.080 119.679 -1.599 18096 12922 1 18 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.339 -0.052 18096 12923 1 18 . 1 1 58 58 LYS C C 58 176.668 176.668 176.735 -0.067 18096 12924 1 18 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.514 -1.407 18096 12925 1 18 . 1 1 58 58 LYS CB C 58 32.064 32.064 34.061 -1.997 18096 12926 1 18 . 1 1 58 58 LYS H H 58 7.595 7.595 7.507 0.088 18096 12927 1 18 . 1 1 59 59 ILE N N 59 116.926 116.926 119.212 -2.286 18096 12928 1 18 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.232 -0.198 18096 12929 1 18 . 1 1 59 59 ILE C C 59 175.226 175.226 174.526 0.700 18096 12930 1 18 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.354 2.030 18096 12931 1 18 . 1 1 59 59 ILE CB C 59 38.073 38.073 41.191 -3.118 18096 12932 1 18 . 1 1 59 59 ILE H H 59 7.706 7.706 7.506 0.200 18096 12933 1 18 . 1 1 60 60 VAL N N 60 119.235 119.235 124.105 -4.870 18096 12934 1 18 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.435 -0.109 18096 12935 1 18 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.161 0.586 18096 12936 1 18 . 1 1 60 60 VAL CB C 60 32.266 32.266 32.349 -0.083 18096 12937 1 18 . 1 1 60 60 VAL H H 60 7.586 7.586 8.166 -0.580 18096 12938 1 18 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.592 0.052 18096 12939 1 18 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.345 0.176 18096 12940 1 18 . 1 1 61 61 PRO CB C 61 31.136 31.136 30.962 0.174 18096 12941 1 18 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.344 0.147 18096 12942 1 18 . 1 1 62 62 PRO C C 62 176.912 176.912 177.308 -0.396 18096 12943 1 18 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.618 -1.375 18096 12944 1 18 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.437 0.441 18096 12945 1 18 . 1 1 63 63 THR N N 63 111.607 111.607 110.479 1.128 18096 12946 1 18 . 1 1 63 63 THR HA H 63 4.447 4.447 3.971 0.476 18096 12947 1 18 . 1 1 63 63 THR C C 63 174.725 174.725 175.163 -0.438 18096 12948 1 18 . 1 1 63 63 THR CA C 63 61.245 61.245 63.786 -2.541 18096 12949 1 18 . 1 1 63 63 THR CB C 63 69.807 69.807 68.321 1.486 18096 12950 1 18 . 1 1 63 63 THR H H 63 7.915 7.915 8.154 -0.239 18096 12951 1 18 . 1 1 64 64 SER N N 64 116.516 116.516 116.650 -0.134 18096 12952 1 18 . 1 1 64 64 SER HA H 64 4.411 4.411 4.407 0.004 18096 12953 1 18 . 1 1 64 64 SER C C 64 174.580 174.580 173.953 0.627 18096 12954 1 18 . 1 1 64 64 SER CA C 64 58.608 58.608 57.922 0.686 18096 12955 1 18 . 1 1 64 64 SER CB C 64 63.742 63.742 64.575 -0.833 18096 12956 1 18 . 1 1 64 64 SER H H 64 8.127 8.127 7.464 0.663 18096 12957 1 18 . 1 1 65 65 SER N N 65 116.921 116.921 121.896 -4.975 18096 12958 1 18 . 1 1 65 65 SER HA H 65 4.453 4.453 4.475 -0.022 18096 12959 1 18 . 1 1 65 65 SER C C 65 174.100 174.100 174.298 -0.198 18096 12960 1 18 . 1 1 65 65 SER CA C 65 58.584 58.584 59.747 -1.163 18096 12961 1 18 . 1 1 65 65 SER CB C 65 63.668 63.668 63.503 0.165 18096 12962 1 18 . 1 1 65 65 SER H H 65 8.169 8.169 8.864 -0.695 18096 12963 1 18 . 1 1 66 66 ASP N N 66 120.478 120.478 121.735 -1.257 18096 12964 1 18 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.780 -0.156 18096 12965 1 18 . 1 1 66 66 ASP C C 66 175.730 175.730 175.676 0.054 18096 12966 1 18 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.682 -0.438 18096 12967 1 18 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.890 -0.695 18096 12968 1 18 . 1 1 66 66 ASP H H 66 8.154 8.154 8.760 -0.606 18096 12969 1 18 . 1 1 67 67 SER N N 67 115.159 115.159 115.505 -0.346 18096 12970 1 18 . 1 1 67 67 SER HA H 67 4.528 4.528 4.923 -0.395 18096 12971 1 18 . 1 1 67 67 SER CA C 67 56.493 56.493 55.919 0.574 18096 12972 1 18 . 1 1 67 67 SER CB C 67 63.604 63.604 63.585 0.019 18096 12973 1 18 . 1 1 67 67 SER H H 67 7.930 7.930 7.899 0.031 18096 12974 1 18 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.448 -0.053 18096 12975 1 18 . 1 1 68 68 PRO C C 68 176.652 176.652 176.721 -0.069 18096 12976 1 18 . 1 1 68 68 PRO CA C 68 63.593 63.593 63.038 0.555 18096 12977 1 18 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.159 -0.807 18096 12978 1 18 . 1 1 69 69 SER N N 69 115.859 115.859 118.247 -2.388 18096 12979 1 18 . 1 1 69 69 SER HA H 69 4.436 4.436 4.463 -0.027 18096 12980 1 18 . 1 1 69 69 SER C C 69 174.611 174.611 175.942 -1.331 18096 12981 1 18 . 1 1 69 69 SER CA C 69 58.264 58.264 59.333 -1.069 18096 12982 1 18 . 1 1 69 69 SER CB C 69 63.919 63.919 63.431 0.488 18096 12983 1 18 . 1 1 69 69 SER H H 69 8.256 8.256 8.785 -0.529 18096 12984 1 18 . 1 1 70 70 VAL N N 70 117.241 117.241 120.190 -2.949 18096 12985 1 18 . 1 1 70 70 VAL HA H 70 3.802 3.802 3.933 -0.131 18096 12986 1 18 . 1 1 70 70 VAL C C 70 177.772 177.772 177.742 0.030 18096 12987 1 18 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.794 1.850 18096 12988 1 18 . 1 1 70 70 VAL CB C 70 31.896 31.896 30.727 1.169 18096 12989 1 18 . 1 1 70 70 VAL H H 70 8.211 8.211 7.939 0.272 18096 12990 1 18 . 1 1 71 71 GLY N N 71 106.999 106.999 107.187 -0.188 18096 12991 1 18 . 1 1 71 71 GLY C C 71 175.551 175.551 175.857 -0.306 18096 12992 1 18 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.700 0.545 18096 12993 1 18 . 1 1 71 71 GLY H H 71 8.566 8.566 8.312 0.254 18096 12994 1 18 . 1 1 72 72 GLU N N 72 121.376 121.376 123.085 -1.709 18096 12995 1 18 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.740 0.149 18096 12996 1 18 . 1 1 72 72 GLU C C 72 178.495 178.495 178.150 0.345 18096 12997 1 18 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.132 0.986 18096 12998 1 18 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.523 0.067 18096 12999 1 18 . 1 1 72 72 GLU H H 72 7.919 7.919 8.205 -0.286 18096 13000 1 18 . 1 1 73 73 TYR N N 73 117.643 117.643 120.160 -2.517 18096 13001 1 18 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.256 -0.194 18096 13002 1 18 . 1 1 73 73 TYR C C 73 179.921 179.921 177.783 2.138 18096 13003 1 18 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.958 1.172 18096 13004 1 18 . 1 1 73 73 TYR CB C 73 38.917 38.917 38.415 0.502 18096 13005 1 18 . 1 1 73 73 TYR H H 73 8.095 8.095 8.378 -0.283 18096 13006 1 18 . 1 1 74 74 LEU N N 74 121.712 121.712 119.976 1.736 18096 13007 1 18 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.889 0.174 18096 13008 1 18 . 1 1 74 74 LEU C C 74 178.385 178.385 178.865 -0.480 18096 13009 1 18 . 1 1 74 74 LEU CA C 74 58.474 58.474 56.953 1.521 18096 13010 1 18 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.094 0.844 18096 13011 1 18 . 1 1 74 74 LEU H H 74 8.615 8.615 7.504 1.111 18096 13012 1 18 . 1 1 75 75 MET N N 75 119.087 119.087 119.777 -0.690 18096 13013 1 18 . 1 1 75 75 MET HA H 75 4.056 4.056 3.840 0.216 18096 13014 1 18 . 1 1 75 75 MET C C 75 177.851 177.851 178.521 -0.670 18096 13015 1 18 . 1 1 75 75 MET CA C 75 59.166 59.166 59.743 -0.577 18096 13016 1 18 . 1 1 75 75 MET CB C 75 32.093 32.093 32.306 -0.213 18096 13017 1 18 . 1 1 75 75 MET H H 75 8.362 8.362 8.093 0.269 18096 13018 1 18 . 1 1 76 76 PHE N N 76 117.788 117.788 116.056 1.732 18096 13019 1 18 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.264 -0.159 18096 13020 1 18 . 1 1 76 76 PHE C C 76 177.305 177.305 177.831 -0.526 18096 13021 1 18 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.220 1.156 18096 13022 1 18 . 1 1 76 76 PHE CB C 76 38.961 38.961 37.700 1.260 18096 13023 1 18 . 1 1 76 76 PHE H H 76 8.471 8.471 7.674 0.797 18096 13024 1 18 . 1 1 77 77 THR N N 77 115.298 115.298 116.907 -1.609 18096 13025 1 18 . 1 1 77 77 THR HA H 77 3.673 3.673 3.775 -0.102 18096 13026 1 18 . 1 1 77 77 THR C C 77 176.057 176.057 176.215 -0.158 18096 13027 1 18 . 1 1 77 77 THR CA C 77 68.423 68.423 67.299 1.124 18096 13028 1 18 . 1 1 77 77 THR CB C 77 68.204 68.204 68.651 -0.447 18096 13029 1 18 . 1 1 77 77 THR H H 77 8.179 8.179 7.654 0.525 18096 13030 1 18 . 1 1 78 78 MET N N 78 119.204 119.204 120.231 -1.027 18096 13031 1 18 . 1 1 78 78 MET HA H 78 4.092 4.092 4.257 -0.165 18096 13032 1 18 . 1 1 78 78 MET C C 78 179.421 179.421 178.464 0.957 18096 13033 1 18 . 1 1 78 78 MET CA C 78 58.810 58.810 58.480 0.330 18096 13034 1 18 . 1 1 78 78 MET CB C 78 32.176 32.176 31.992 0.184 18096 13035 1 18 . 1 1 78 78 MET H H 78 8.310 8.310 8.466 -0.156 18096 13036 1 18 . 1 1 79 79 VAL N N 79 122.115 122.115 120.558 1.557 18096 13037 1 18 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.788 -0.296 18096 13038 1 18 . 1 1 79 79 VAL C C 79 176.866 176.866 178.584 -1.718 18096 13039 1 18 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.852 0.522 18096 13040 1 18 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.433 0.182 18096 13041 1 18 . 1 1 79 79 VAL H H 79 8.239 8.239 7.647 0.592 18096 13042 1 18 . 1 1 80 80 LEU N N 80 120.240 120.240 120.632 -0.392 18096 13043 1 18 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.184 -0.245 18096 13044 1 18 . 1 1 80 80 LEU C C 80 180.078 180.078 179.261 0.817 18096 13045 1 18 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.599 -0.001 18096 13046 1 18 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.966 -0.025 18096 13047 1 18 . 1 1 80 80 LEU H H 80 8.058 8.058 7.888 0.170 18096 13048 1 18 . 1 1 81 81 VAL N N 81 120.008 120.008 118.943 1.065 18096 13049 1 18 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.667 -0.209 18096 13050 1 18 . 1 1 81 81 VAL C C 81 177.670 177.670 178.091 -0.421 18096 13051 1 18 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.128 0.209 18096 13052 1 18 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.263 0.352 18096 13053 1 18 . 1 1 81 81 VAL H H 81 8.800 8.800 8.206 0.594 18096 13054 1 18 . 1 1 82 82 THR N N 82 116.872 116.872 115.809 1.063 18096 13055 1 18 . 1 1 82 82 THR HA H 82 3.676 3.676 3.953 -0.277 18096 13056 1 18 . 1 1 82 82 THR C C 82 176.268 176.268 176.413 -0.145 18096 13057 1 18 . 1 1 82 82 THR CA C 82 68.590 68.590 67.020 1.570 18096 13058 1 18 . 1 1 82 82 THR CB C 82 68.468 68.468 68.702 -0.234 18096 13059 1 18 . 1 1 82 82 THR H H 82 8.109 8.109 7.916 0.193 18096 13060 1 18 . 1 1 83 83 PHE N N 83 119.777 119.777 121.011 -1.234 18096 13061 1 18 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.394 -0.313 18096 13062 1 18 . 1 1 83 83 PHE C C 83 178.015 178.015 177.696 0.319 18096 13063 1 18 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.574 0.038 18096 13064 1 18 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.883 -0.197 18096 13065 1 18 . 1 1 83 83 PHE H H 83 8.754 8.754 7.542 1.212 18096 13066 1 18 . 1 1 84 84 SER N N 84 117.769 117.769 115.902 1.867 18096 13067 1 18 . 1 1 84 84 SER HA H 84 4.091 4.091 4.175 -0.084 18096 13068 1 18 . 1 1 84 84 SER C C 84 175.899 175.899 176.560 -0.661 18096 13069 1 18 . 1 1 84 84 SER CA C 84 63.269 63.269 62.138 1.131 18096 13070 1 18 . 1 1 84 84 SER CB C 84 62.962 62.962 63.438 -0.475 18096 13071 1 18 . 1 1 84 84 SER H H 84 8.335 8.335 8.354 -0.019 18096 13072 1 18 . 1 1 85 85 ILE N N 85 122.986 122.986 122.084 0.902 18096 13073 1 18 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.758 -0.109 18096 13074 1 18 . 1 1 85 85 ILE C C 85 177.778 177.778 177.456 0.322 18096 13075 1 18 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.855 1.649 18096 13076 1 18 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.173 0.942 18096 13077 1 18 . 1 1 85 85 ILE H H 85 8.187 8.187 8.354 -0.167 18096 13078 1 18 . 1 1 86 86 VAL N N 86 117.289 117.289 119.722 -2.433 18096 13079 1 18 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.504 0.005 18096 13080 1 18 . 1 1 86 86 VAL C C 86 177.816 177.816 178.081 -0.265 18096 13081 1 18 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.103 -0.056 18096 13082 1 18 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.661 -0.064 18096 13083 1 18 . 1 1 86 86 VAL H H 86 8.367 8.367 7.741 0.626 18096 13084 1 18 . 1 1 87 87 THR N N 87 116.788 116.788 112.788 4.000 18096 13085 1 18 . 1 1 87 87 THR HA H 87 3.758 3.758 3.968 -0.210 18096 13086 1 18 . 1 1 87 87 THR C C 87 176.095 176.095 176.430 -0.335 18096 13087 1 18 . 1 1 87 87 THR CA C 87 67.248 67.248 65.813 1.435 18096 13088 1 18 . 1 1 87 87 THR H H 87 8.007 8.007 7.566 0.441 18096 13089 1 18 . 1 1 88 88 SER N N 88 116.157 116.157 118.823 -2.666 18096 13090 1 18 . 1 1 88 88 SER HA H 88 4.018 4.018 4.233 -0.215 18096 13091 1 18 . 1 1 88 88 SER C C 88 174.932 174.932 176.710 -1.778 18096 13092 1 18 . 1 1 88 88 SER CA C 88 62.717 62.717 61.992 0.725 18096 13093 1 18 . 1 1 88 88 SER CB C 88 62.954 62.954 63.288 -0.334 18096 13094 1 18 . 1 1 88 88 SER H H 88 7.662 7.662 7.738 -0.076 18096 13095 1 18 . 1 1 89 89 VAL N N 89 117.956 117.956 117.445 0.511 18096 13096 1 18 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.893 -0.377 18096 13097 1 18 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.204 2.062 18096 13098 1 18 . 1 1 89 89 VAL H H 89 8.274 8.274 7.998 0.276 18096 13099 1 18 . 1 1 90 90 CYS N N 90 116.319 116.319 117.742 -1.423 18096 13100 1 18 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.141 0.088 18096 13101 1 18 . 1 1 90 90 CYS C C 90 175.174 175.174 176.091 -0.917 18096 13102 1 18 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.029 -0.411 18096 13103 1 18 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.334 -0.543 18096 13104 1 18 . 1 1 90 90 CYS H H 90 7.654 7.654 7.615 0.039 18096 13105 1 18 . 1 1 91 91 VAL N N 91 115.534 115.534 119.187 -3.653 18096 13106 1 18 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.743 -0.117 18096 13107 1 18 . 1 1 91 91 VAL C C 91 176.038 176.038 177.628 -1.590 18096 13108 1 18 . 1 1 91 91 VAL CA C 91 63.608 63.608 66.061 -2.453 18096 13109 1 18 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.864 0.058 18096 13110 1 18 . 1 1 91 91 VAL H H 91 7.760 7.760 7.216 0.544 18096 13111 1 18 . 1 1 92 92 LEU N N 92 119.713 119.713 119.842 -0.129 18096 13112 1 18 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.024 0.216 18096 13113 1 18 . 1 1 92 92 LEU C C 92 176.769 176.769 177.688 -0.919 18096 13114 1 18 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.645 -2.055 18096 13115 1 18 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.434 -0.502 18096 13116 1 18 . 1 1 92 92 LEU H H 92 7.732 7.732 7.331 0.401 18096 13117 1 18 . 1 1 93 93 ASN N N 93 117.817 117.817 116.769 1.048 18096 13118 1 18 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.890 -0.214 18096 13119 1 18 . 1 1 93 93 ASN C C 93 174.955 174.955 173.523 1.432 18096 13120 1 18 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.558 0.697 18096 13121 1 18 . 1 1 93 93 ASN CB C 93 39.508 39.508 38.742 0.766 18096 13122 1 18 . 1 1 93 93 ASN H H 93 7.916 7.916 7.950 -0.034 18096 13123 1 18 . 1 1 94 94 VAL N N 94 118.650 118.650 120.845 -2.195 18096 13124 1 18 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.307 -0.283 18096 13125 1 18 . 1 1 94 94 VAL C C 94 175.740 175.740 175.636 0.104 18096 13126 1 18 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.857 0.675 18096 13127 1 18 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.589 -0.957 18096 13128 1 18 . 1 1 94 94 VAL H H 94 7.730 7.730 8.288 -0.558 18096 13129 1 18 . 1 1 95 95 HIS N N 95 121.293 121.293 125.808 -4.515 18096 13130 1 18 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.669 -0.050 18096 13131 1 18 . 1 1 95 95 HIS C C 95 174.146 174.146 173.932 0.214 18096 13132 1 18 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.470 0.112 18096 13133 1 18 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.027 -0.272 18096 13134 1 18 . 1 1 95 95 HIS H H 95 8.341 8.341 8.763 -0.422 18096 13135 1 18 . 1 1 96 96 HIS N N 96 122.728 122.728 123.489 -0.761 18096 13136 1 18 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.763 -0.128 18096 13137 1 18 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.726 -0.144 18096 13138 1 18 . 1 1 96 96 HIS CB C 96 29.773 29.773 29.939 -0.166 18096 13139 1 18 . 1 1 96 96 HIS H H 96 8.333 8.333 8.606 -0.273 18096 13140 1 18 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.467 -0.172 18096 13141 1 18 . 1 1 97 97 ARG C C 97 175.776 175.776 175.771 0.005 18096 13142 1 18 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.618 0.612 18096 13143 1 18 . 1 1 97 97 ARG CB C 97 31.030 31.030 29.527 1.503 18096 13144 1 18 . 1 1 98 98 SER N N 98 118.439 118.439 122.331 -3.892 18096 13145 1 18 . 1 1 98 98 SER HA H 98 4.736 4.736 5.000 -0.264 18096 13146 1 18 . 1 1 98 98 SER CA C 98 56.614 56.614 55.860 0.754 18096 13147 1 18 . 1 1 98 98 SER CB C 98 63.622 63.622 63.908 -0.286 18096 13148 1 18 . 1 1 98 98 SER H H 98 8.250 8.250 8.313 -0.063 18096 13149 1 18 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.499 -0.105 18096 13150 1 18 . 1 1 99 99 PRO C C 99 176.879 176.879 176.828 0.051 18096 13151 1 18 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.178 -0.481 18096 13152 1 18 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.320 -0.274 18096 13153 1 18 . 1 1 100 100 GLU N N 100 120.297 120.297 116.057 4.240 18096 13154 1 18 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.520 -0.221 18096 13155 1 18 . 1 1 100 100 GLU C C 100 176.576 176.576 175.844 0.732 18096 13156 1 18 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.969 0.498 18096 13157 1 18 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.471 -1.527 18096 13158 1 18 . 1 1 100 100 GLU H H 100 8.391 8.391 7.954 0.437 18096 13159 1 18 . 1 1 101 101 THR N N 101 114.144 114.144 115.438 -1.294 18096 13160 1 18 . 1 1 101 101 THR HA H 101 4.280 4.280 4.561 -0.281 18096 13161 1 18 . 1 1 101 101 THR C C 101 174.515 174.515 174.029 0.486 18096 13162 1 18 . 1 1 101 101 THR CA C 101 61.975 61.975 61.788 0.187 18096 13163 1 18 . 1 1 101 101 THR CB C 101 69.817 69.817 67.028 2.789 18096 13164 1 18 . 1 1 101 101 THR H H 101 7.946 7.946 8.437 -0.491 18096 13165 1 18 . 1 1 102 102 HIS N N 102 120.429 120.429 123.108 -2.679 18096 13166 1 18 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.543 0.207 18096 13167 1 18 . 1 1 102 102 HIS C C 102 174.764 174.764 175.418 -0.654 18096 13168 1 18 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.880 -0.195 18096 13169 1 18 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.854 -1.609 18096 13170 1 18 . 1 1 102 102 HIS H H 102 8.459 8.459 7.961 0.498 18096 13171 1 18 . 1 1 103 103 THR N N 103 114.319 114.319 120.166 -5.847 18096 13172 1 18 . 1 1 103 103 THR HA H 103 4.345 4.345 4.353 -0.008 18096 13173 1 18 . 1 1 103 103 THR C C 103 175.087 175.087 174.317 0.770 18096 13174 1 18 . 1 1 103 103 THR CA C 103 61.976 61.976 62.952 -0.976 18096 13175 1 18 . 1 1 103 103 THR CB C 103 69.831 69.831 68.748 1.083 18096 13176 1 18 . 1 1 103 103 THR H H 103 8.068 8.068 8.723 -0.655 18096 13177 1 18 . 1 1 104 104 GLY N N 104 111.143 111.143 114.656 -3.513 18096 13178 1 18 . 1 1 104 104 GLY C C 104 174.757 174.757 173.695 1.062 18096 13179 1 18 . 1 1 104 104 GLY CA C 104 45.602 45.602 45.805 -0.203 18096 13180 1 18 . 1 1 104 104 GLY H H 104 8.389 8.389 8.706 -0.317 18096 13181 1 18 . 1 1 105 105 GLY N N 105 108.642 108.642 108.187 0.455 18096 13182 1 18 . 1 1 105 105 GLY C C 105 174.892 174.892 173.394 1.498 18096 13183 1 18 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.161 0.441 18096 13184 1 18 . 1 1 105 105 GLY H H 105 8.272 8.272 8.143 0.129 18096 13185 1 18 . 1 1 106 106 GLY N N 106 108.820 108.820 108.317 0.503 18096 13186 1 18 . 1 1 106 106 GLY C C 106 174.886 174.886 174.940 -0.054 18096 13187 1 18 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.577 0.025 18096 13188 1 18 . 1 1 106 106 GLY H H 106 8.359 8.359 10.148 -1.789 18096 13189 1 18 . 1 1 107 107 GLY N N 107 108.550 108.550 107.877 0.673 18096 13190 1 18 . 1 1 107 107 GLY C C 107 174.886 174.886 174.926 -0.040 18096 13191 1 18 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.513 1.089 18096 13192 1 18 . 1 1 107 107 GLY H H 107 8.338 8.338 8.355 -0.017 18096 13193 1 18 . 1 1 108 108 GLY N N 108 108.519 108.519 107.544 0.975 18096 13194 1 18 . 1 1 108 108 GLY C C 108 175.411 175.411 175.002 0.409 18096 13195 1 18 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.361 1.446 18096 13196 1 18 . 1 1 108 108 GLY H H 108 8.336 8.336 8.136 0.200 18096 13197 1 18 . 1 1 109 109 ILE N N 109 120.914 120.914 121.827 -0.913 18096 13198 1 18 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.882 0.094 18096 13199 1 18 . 1 1 109 109 ILE C C 109 176.019 176.019 176.569 -0.550 18096 13200 1 18 . 1 1 109 109 ILE CA C 109 62.927 62.927 63.638 -0.711 18096 13201 1 18 . 1 1 109 109 ILE CB C 109 38.073 38.073 38.502 -0.429 18096 13202 1 18 . 1 1 109 109 ILE H H 109 8.233 8.233 7.817 0.416 18096 13203 1 18 . 1 1 110 110 ASP N N 110 121.149 121.149 118.073 3.076 18096 13204 1 18 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.640 -0.388 18096 13205 1 18 . 1 1 110 110 ASP C C 110 177.648 177.648 178.718 -1.070 18096 13206 1 18 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.234 -0.433 18096 13207 1 18 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.696 -0.515 18096 13208 1 18 . 1 1 110 110 ASP H H 110 8.369 8.369 8.790 -0.421 18096 13209 1 18 . 1 1 111 111 ARG N N 111 119.198 119.198 120.581 -1.383 18096 13210 1 18 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.321 -0.332 18096 13211 1 18 . 1 1 111 111 ARG C C 111 177.502 177.502 178.972 -1.470 18096 13212 1 18 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.120 0.600 18096 13213 1 18 . 1 1 111 111 ARG CB C 111 30.103 30.103 30.118 -0.015 18096 13214 1 18 . 1 1 111 111 ARG H H 111 7.835 7.835 7.638 0.197 18096 13215 1 18 . 1 1 112 112 LEU N N 112 118.935 118.935 120.973 -2.038 18096 13216 1 18 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.172 -0.169 18096 13217 1 18 . 1 1 112 112 LEU C C 112 178.356 178.356 178.829 -0.473 18096 13218 1 18 . 1 1 112 112 LEU CA C 112 58.235 58.235 57.965 0.270 18096 13219 1 18 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.411 0.332 18096 13220 1 18 . 1 1 112 112 LEU H H 112 7.783 7.783 8.602 -0.819 18096 13221 1 18 . 1 1 113 113 PHE N N 113 116.117 116.117 119.507 -3.390 18096 13222 1 18 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.242 -0.158 18096 13223 1 18 . 1 1 113 113 PHE C C 113 177.092 177.092 177.122 -0.030 18096 13224 1 18 . 1 1 113 113 PHE CA C 113 62.392 62.392 60.815 1.577 18096 13225 1 18 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.944 -0.053 18096 13226 1 18 . 1 1 113 113 PHE H H 113 8.072 8.072 8.619 -0.547 18096 13227 1 18 . 1 1 114 114 LEU N N 114 118.710 118.710 120.671 -1.961 18096 13228 1 18 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.716 0.285 18096 13229 1 18 . 1 1 114 114 LEU C C 114 178.210 178.210 178.406 -0.196 18096 13230 1 18 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.401 0.107 18096 13231 1 18 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.571 0.213 18096 13232 1 18 . 1 1 114 114 LEU H H 114 7.881 7.881 7.597 0.284 18096 13233 1 18 . 1 1 115 115 TRP N N 115 117.801 117.801 121.020 -3.219 18096 13234 1 18 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.437 -0.155 18096 13235 1 18 . 1 1 115 115 TRP C C 115 178.536 178.536 178.616 -0.080 18096 13236 1 18 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.626 0.118 18096 13237 1 18 . 1 1 115 115 TRP CB C 115 29.125 29.125 30.129 -1.004 18096 13238 1 18 . 1 1 115 115 TRP H H 115 7.925 7.925 7.635 0.290 18096 13239 1 18 . 1 1 116 116 ILE N N 116 118.212 118.212 119.888 -1.676 18096 13240 1 18 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.690 0.004 18096 13241 1 18 . 1 1 116 116 ILE C C 116 177.423 177.423 177.731 -0.308 18096 13242 1 18 . 1 1 116 116 ILE CA C 116 65.987 65.987 65.227 0.760 18096 13243 1 18 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.800 0.351 18096 13244 1 18 . 1 1 116 116 ILE H H 116 8.355 8.355 8.884 -0.529 18096 13245 1 18 . 1 1 117 117 PHE N N 117 119.509 119.509 119.298 0.211 18096 13246 1 18 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.166 -0.072 18096 13247 1 18 . 1 1 117 117 PHE C C 117 177.389 177.389 177.058 0.331 18096 13248 1 18 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.460 0.485 18096 13249 1 18 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.004 -0.065 18096 13250 1 18 . 1 1 117 117 PHE H H 117 8.419 8.419 7.470 0.949 18096 13251 1 18 . 1 1 118 118 VAL N N 118 118.927 118.927 119.209 -0.282 18096 13252 1 18 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.366 0.144 18096 13253 1 18 . 1 1 118 118 VAL C C 118 177.452 177.452 177.940 -0.488 18096 13254 1 18 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.569 0.871 18096 13255 1 18 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.339 0.123 18096 13256 1 18 . 1 1 118 118 VAL H H 118 8.509 8.509 7.465 1.044 18096 13257 1 18 . 1 1 119 119 PHE N N 119 118.638 118.638 119.651 -1.013 18096 13258 1 18 . 1 1 119 119 PHE HA H 119 4.040 4.040 3.983 0.057 18096 13259 1 18 . 1 1 119 119 PHE C C 119 177.403 177.403 177.284 0.119 18096 13260 1 18 . 1 1 119 119 PHE CA C 119 62.603 62.603 62.143 0.460 18096 13261 1 18 . 1 1 119 119 PHE CB C 119 39.145 39.145 39.003 0.142 18096 13262 1 18 . 1 1 119 119 PHE H H 119 8.477 8.477 8.032 0.445 18096 13263 1 18 . 1 1 120 120 VAL N N 120 118.660 118.660 118.952 -0.292 18096 13264 1 18 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.625 -0.158 18096 13265 1 18 . 1 1 120 120 VAL C C 120 177.851 177.851 177.549 0.302 18096 13266 1 18 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.182 2.254 18096 13267 1 18 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.614 0.045 18096 13268 1 18 . 1 1 120 120 VAL H H 120 8.705 8.705 7.544 1.161 18096 13269 1 18 . 1 1 121 121 CYS N N 121 117.055 117.055 118.797 -1.742 18096 13270 1 18 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.980 -0.078 18096 13271 1 18 . 1 1 121 121 CYS C C 121 177.629 177.629 176.442 1.187 18096 13272 1 18 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.355 1.984 18096 13273 1 18 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.873 -0.084 18096 13274 1 18 . 1 1 121 121 CYS H H 121 7.981 7.981 8.326 -0.345 18096 13275 1 18 . 1 1 122 122 VAL N N 122 120.422 120.422 121.548 -1.126 18096 13276 1 18 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.594 -0.115 18096 13277 1 18 . 1 1 122 122 VAL C C 122 176.923 176.923 178.476 -1.553 18096 13278 1 18 . 1 1 122 122 VAL CA C 122 67.261 67.261 67.449 -0.188 18096 13279 1 18 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.205 0.921 18096 13280 1 18 . 1 1 122 122 VAL H H 122 8.487 8.487 7.882 0.605 18096 13281 1 18 . 1 1 123 123 PHE N N 123 117.927 117.927 118.935 -1.008 18096 13282 1 18 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.243 -0.209 18096 13283 1 18 . 1 1 123 123 PHE C C 123 178.151 178.151 177.048 1.103 18096 13284 1 18 . 1 1 123 123 PHE CA C 123 62.094 62.094 60.825 1.269 18096 13285 1 18 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.885 -0.248 18096 13286 1 18 . 1 1 123 123 PHE H H 123 8.630 8.630 7.816 0.814 18096 13287 1 18 . 1 1 124 124 GLY N N 124 106.539 106.539 107.446 -0.907 18096 13288 1 18 . 1 1 124 124 GLY C C 124 174.290 174.290 175.478 -1.188 18096 13289 1 18 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.262 0.289 18096 13290 1 18 . 1 1 124 124 GLY H H 124 8.689 8.689 7.815 0.874 18096 13291 1 18 . 1 1 125 125 THR N N 125 117.059 117.059 116.501 0.558 18096 13292 1 18 . 1 1 125 125 THR HA H 125 3.649 3.649 3.913 -0.265 18096 13293 1 18 . 1 1 125 125 THR C C 125 176.231 176.231 176.559 -0.328 18096 13294 1 18 . 1 1 125 125 THR CA C 125 67.989 67.989 65.608 2.381 18096 13295 1 18 . 1 1 125 125 THR H H 125 7.553 7.553 8.143 -0.590 18096 13296 1 18 . 1 1 126 126 ILE N N 126 119.538 119.538 121.238 -1.700 18096 13297 1 18 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.642 0.006 18096 13298 1 18 . 1 1 126 126 ILE C C 126 177.976 177.976 178.170 -0.194 18096 13299 1 18 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.574 2.141 18096 13300 1 18 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.740 1.090 18096 13301 1 18 . 1 1 126 126 ILE H H 126 8.003 8.003 7.415 0.588 18096 13302 1 18 . 1 1 127 127 GLY N N 127 105.404 105.404 106.138 -0.734 18096 13303 1 18 . 1 1 127 127 GLY C C 127 174.597 174.597 176.114 -1.517 18096 13304 1 18 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.861 0.708 18096 13305 1 18 . 1 1 127 127 GLY H H 127 8.438 8.438 7.693 0.745 18096 13306 1 18 . 1 1 128 128 MET N N 128 117.893 117.893 120.338 -2.445 18096 13307 1 18 . 1 1 128 128 MET HA H 128 4.153 4.153 4.119 0.034 18096 13308 1 18 . 1 1 128 128 MET C C 128 177.815 177.815 178.586 -0.771 18096 13309 1 18 . 1 1 128 128 MET CA C 128 58.198 58.198 56.891 1.307 18096 13310 1 18 . 1 1 128 128 MET CB C 128 32.113 32.113 31.456 0.657 18096 13311 1 18 . 1 1 128 128 MET H H 128 7.821 7.821 7.487 0.334 18096 13312 1 18 . 1 1 129 129 PHE N N 129 116.018 116.018 118.205 -2.187 18096 13313 1 18 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.327 -0.193 18096 13314 1 18 . 1 1 129 129 PHE C C 129 175.863 175.863 176.526 -0.663 18096 13315 1 18 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.133 -0.318 18096 13316 1 18 . 1 1 129 129 PHE CB C 129 39.090 39.090 38.851 0.239 18096 13317 1 18 . 1 1 129 129 PHE H H 129 7.797 7.797 7.602 0.195 18096 13318 1 18 . 1 1 130 130 LEU N N 130 115.806 115.806 117.395 -1.589 18096 13319 1 18 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.146 0.192 18096 13320 1 18 . 1 1 130 130 LEU C C 130 177.219 177.219 177.430 -0.211 18096 13321 1 18 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.153 0.314 18096 13322 1 18 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.379 0.045 18096 13323 1 18 . 1 1 130 130 LEU H H 130 7.745 7.745 7.572 0.172 18096 13324 1 18 . 1 1 131 131 GLN N N 131 118.630 118.630 119.491 -0.861 18096 13325 1 18 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.112 -0.008 18096 13326 1 18 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.229 2.090 18096 13327 1 18 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.159 -0.338 18096 13328 1 18 . 1 1 131 131 GLN H H 131 7.808 7.808 7.406 0.402 18096 13329 1 18 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.350 0.023 18096 13330 1 18 . 1 1 132 132 PRO C C 132 177.739 177.739 177.008 0.731 18096 13331 1 18 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.465 2.918 18096 13332 1 18 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.269 -0.743 18096 13333 1 18 . 1 1 133 133 LEU N N 133 115.632 115.632 118.040 -2.408 18096 13334 1 18 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.152 -0.088 18096 13335 1 18 . 1 1 133 133 LEU C C 133 176.918 176.918 176.509 0.409 18096 13336 1 18 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.655 -0.254 18096 13337 1 18 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.144 -0.155 18096 13338 1 18 . 1 1 133 133 LEU H H 133 7.689 7.689 8.247 -0.558 18096 13339 1 18 . 1 1 134 134 PHE N N 134 114.807 114.807 115.076 -0.269 18096 13340 1 18 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.606 -0.077 18096 13341 1 18 . 1 1 134 134 PHE C C 134 175.245 175.245 174.109 1.136 18096 13342 1 18 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.081 0.657 18096 13343 1 18 . 1 1 134 134 PHE CB C 134 39.609 39.609 40.158 -0.549 18096 13344 1 18 . 1 1 134 134 PHE H H 134 7.679 7.679 7.334 0.345 18096 13345 1 18 . 1 1 135 135 GLN N N 135 118.318 118.318 118.018 0.300 18096 13346 1 18 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.112 0.203 18096 13347 1 18 . 1 1 135 135 GLN C C 135 175.361 175.361 176.283 -0.922 18096 13348 1 18 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.619 -1.512 18096 13349 1 18 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.003 0.863 18096 13350 1 18 . 1 1 135 135 GLN H H 135 7.651 7.651 8.793 -1.142 18096 13351 1 18 . 1 1 136 136 GLU N N 136 120.684 120.684 120.539 0.145 18096 13352 1 18 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.365 -0.054 18096 13353 1 18 . 1 1 136 136 GLU C C 136 175.153 175.153 175.699 -0.546 18096 13354 1 18 . 1 1 136 136 GLU CA C 136 56.475 56.475 55.265 1.210 18096 13355 1 18 . 1 1 136 136 GLU CB C 136 30.232 30.232 27.601 2.631 18096 13356 1 18 . 1 1 136 136 GLU H H 136 8.109 8.109 8.524 -0.415 18096 13357 1 19 . 1 1 3 3 ALA N N 3 124.656 124.656 124.192 0.464 18096 13358 1 19 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.643 -0.437 18096 13359 1 19 . 1 1 3 3 ALA C C 3 178.133 178.133 176.748 1.385 18096 13360 1 19 . 1 1 3 3 ALA CA C 3 53.685 53.685 51.807 1.878 18096 13361 1 19 . 1 1 3 3 ALA CB C 3 19.083 19.083 20.882 -1.799 18096 13362 1 19 . 1 1 3 3 ALA H H 3 8.402 8.402 8.095 0.307 18096 13363 1 19 . 1 1 4 4 GLU N N 4 117.439 117.439 120.186 -2.747 18096 13364 1 19 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.431 -0.302 18096 13365 1 19 . 1 1 4 4 GLU C C 4 176.534 176.534 175.987 0.547 18096 13366 1 19 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.733 0.691 18096 13367 1 19 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.340 -0.456 18096 13368 1 19 . 1 1 4 4 GLU H H 4 8.219 8.219 8.803 -0.584 18096 13369 1 19 . 1 1 5 5 GLU N N 5 118.815 118.815 118.629 0.186 18096 13370 1 19 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.451 -0.240 18096 13371 1 19 . 1 1 5 5 GLU C C 5 176.604 176.604 176.694 -0.090 18096 13372 1 19 . 1 1 5 5 GLU CA C 5 56.951 56.951 55.852 1.099 18096 13373 1 19 . 1 1 5 5 GLU CB C 5 29.962 29.962 28.303 1.659 18096 13374 1 19 . 1 1 5 5 GLU H H 5 7.992 7.992 8.466 -0.474 18096 13375 1 19 . 1 1 6 6 GLU N N 6 121.446 121.446 122.882 -1.436 18096 13376 1 19 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.271 -0.087 18096 13377 1 19 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.459 -3.038 18096 13378 1 19 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.332 0.650 18096 13379 1 19 . 1 1 6 6 GLU H H 6 8.148 8.148 8.636 -0.488 18096 13380 1 19 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.398 -0.135 18096 13381 1 19 . 1 1 7 7 PRO C C 7 178.717 178.717 178.357 0.360 18096 13382 1 19 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.064 0.465 18096 13383 1 19 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.255 0.068 18096 13384 1 19 . 1 1 8 8 LEU N N 8 119.642 119.642 117.369 2.273 18096 13385 1 19 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.362 -0.410 18096 13386 1 19 . 1 1 8 8 LEU C C 8 177.905 177.905 177.897 0.008 18096 13387 1 19 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.149 1.782 18096 13388 1 19 . 1 1 8 8 LEU CB C 8 41.773 41.773 40.987 0.786 18096 13389 1 19 . 1 1 8 8 LEU H H 8 8.222 8.222 8.110 0.112 18096 13390 1 19 . 1 1 9 9 PHE N N 9 118.625 118.625 118.825 -0.200 18096 13391 1 19 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.284 -0.112 18096 13392 1 19 . 1 1 9 9 PHE C C 9 177.620 177.620 177.374 0.246 18096 13393 1 19 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.173 0.899 18096 13394 1 19 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.150 -0.312 18096 13395 1 19 . 1 1 9 9 PHE H H 9 8.071 8.071 7.619 0.452 18096 13396 1 19 . 1 1 10 10 TYR N N 10 117.829 117.829 119.877 -2.048 18096 13397 1 19 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.258 -0.068 18096 13398 1 19 . 1 1 10 10 TYR C C 10 177.743 177.743 177.587 0.156 18096 13399 1 19 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.323 -1.114 18096 13400 1 19 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.765 -0.050 18096 13401 1 19 . 1 1 10 10 TYR H H 10 8.204 8.204 7.528 0.676 18096 13402 1 19 . 1 1 11 11 THR N N 11 115.545 115.545 114.277 1.268 18096 13403 1 19 . 1 1 11 11 THR HA H 11 3.875 3.875 4.001 -0.126 18096 13404 1 19 . 1 1 11 11 THR C C 11 175.937 175.937 176.533 -0.596 18096 13405 1 19 . 1 1 11 11 THR CA C 11 67.187 67.187 65.955 1.232 18096 13406 1 19 . 1 1 11 11 THR CB C 11 68.579 68.579 68.599 -0.020 18096 13407 1 19 . 1 1 11 11 THR H H 11 7.934 7.934 7.713 0.221 18096 13408 1 19 . 1 1 12 12 ILE N N 12 120.096 120.096 120.524 -0.428 18096 13409 1 19 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.703 -0.021 18096 13410 1 19 . 1 1 12 12 ILE C C 12 175.863 175.863 177.622 -1.759 18096 13411 1 19 . 1 1 12 12 ILE CA C 12 64.821 64.821 65.192 -0.371 18096 13412 1 19 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.823 0.133 18096 13413 1 19 . 1 1 12 12 ILE H H 12 8.172 8.172 7.489 0.683 18096 13414 1 19 . 1 1 13 13 ASN N N 13 114.444 114.444 117.588 -3.144 18096 13415 1 19 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.577 -0.184 18096 13416 1 19 . 1 1 13 13 ASN C C 13 174.880 174.880 176.357 -1.477 18096 13417 1 19 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.567 -0.310 18096 13418 1 19 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.296 1.250 18096 13419 1 19 . 1 1 13 13 ASN H H 13 7.731 7.731 7.768 -0.037 18096 13420 1 19 . 1 1 14 14 LEU N N 14 115.306 115.306 118.791 -3.485 18096 13421 1 19 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.253 0.093 18096 13422 1 19 . 1 1 14 14 LEU C C 14 177.427 177.427 177.702 -0.275 18096 13423 1 19 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.386 -0.016 18096 13424 1 19 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.549 -0.783 18096 13425 1 19 . 1 1 14 14 LEU H H 14 7.381 7.381 7.401 -0.020 18096 13426 1 19 . 1 1 15 15 ILE N N 15 117.935 117.935 120.049 -2.114 18096 13427 1 19 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.770 -0.172 18096 13428 1 19 . 1 1 15 15 ILE CA C 15 65.452 65.452 61.919 3.533 18096 13429 1 19 . 1 1 15 15 ILE CB C 15 37.681 37.681 36.849 0.832 18096 13430 1 19 . 1 1 15 15 ILE H H 15 8.135 8.135 7.466 0.669 18096 13431 1 19 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.330 -0.284 18096 13432 1 19 . 1 1 17 17 PRO C C 17 177.518 177.518 178.602 -1.084 18096 13433 1 19 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.636 1.009 18096 13434 1 19 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.828 0.138 18096 13435 1 19 . 1 1 18 18 CYS N N 18 113.411 113.411 118.448 -5.037 18096 13436 1 19 . 1 1 18 18 CYS HA H 18 3.951 3.951 3.997 -0.046 18096 13437 1 19 . 1 1 18 18 CYS C C 18 177.617 177.617 176.742 0.875 18096 13438 1 19 . 1 1 18 18 CYS CA C 18 64.488 64.488 62.684 1.804 18096 13439 1 19 . 1 1 18 18 CYS CB C 18 26.768 26.768 26.807 -0.039 18096 13440 1 19 . 1 1 18 18 CYS H H 18 7.338 7.338 7.505 -0.167 18096 13441 1 19 . 1 1 19 19 VAL N N 19 121.720 121.720 120.223 1.497 18096 13442 1 19 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.609 -0.088 18096 13443 1 19 . 1 1 19 19 VAL C C 19 178.069 178.069 178.179 -0.110 18096 13444 1 19 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.961 0.104 18096 13445 1 19 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.317 0.435 18096 13446 1 19 . 1 1 19 19 VAL H H 19 8.587 8.587 7.670 0.917 18096 13447 1 19 . 1 1 20 20 LEU N N 20 121.731 121.731 121.125 0.606 18096 13448 1 19 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.951 0.070 18096 13449 1 19 . 1 1 20 20 LEU C C 20 177.989 177.989 179.120 -1.131 18096 13450 1 19 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.366 0.283 18096 13451 1 19 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.904 0.030 18096 13452 1 19 . 1 1 20 20 LEU H H 20 8.344 8.344 7.408 0.936 18096 13453 1 19 . 1 1 21 21 ILE N N 21 117.403 117.403 118.254 -0.851 18096 13454 1 19 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.481 0.188 18096 13455 1 19 . 1 1 21 21 ILE C C 21 176.947 176.947 177.967 -1.020 18096 13456 1 19 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.776 -0.420 18096 13457 1 19 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.622 0.296 18096 13458 1 19 . 1 1 21 21 ILE H H 21 8.371 8.371 8.516 -0.145 18096 13459 1 19 . 1 1 22 22 THR N N 22 115.544 115.544 115.706 -0.162 18096 13460 1 19 . 1 1 22 22 THR HA H 22 3.681 3.681 3.992 -0.311 18096 13461 1 19 . 1 1 22 22 THR C C 22 176.073 176.073 177.104 -1.031 18096 13462 1 19 . 1 1 22 22 THR CA C 22 68.152 68.152 67.251 0.901 18096 13463 1 19 . 1 1 22 22 THR CB C 22 68.428 68.428 68.451 -0.023 18096 13464 1 19 . 1 1 22 22 THR H H 22 7.829 7.829 7.530 0.299 18096 13465 1 19 . 1 1 23 23 SER N N 23 116.192 116.192 118.440 -2.248 18096 13466 1 19 . 1 1 23 23 SER HA H 23 4.023 4.023 4.034 -0.011 18096 13467 1 19 . 1 1 23 23 SER C C 23 175.279 175.279 176.565 -1.286 18096 13468 1 19 . 1 1 23 23 SER CA C 23 63.884 63.884 61.314 2.570 18096 13469 1 19 . 1 1 23 23 SER CB C 23 62.971 62.971 62.796 0.175 18096 13470 1 19 . 1 1 23 23 SER H H 23 8.069 8.069 7.780 0.289 18096 13471 1 19 . 1 1 24 24 LEU N N 24 120.855 120.855 121.618 -0.763 18096 13472 1 19 . 1 1 24 24 LEU HA H 24 3.981 3.981 3.980 0.001 18096 13473 1 19 . 1 1 24 24 LEU C C 24 177.542 177.542 178.286 -0.744 18096 13474 1 19 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.470 -0.434 18096 13475 1 19 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.664 0.277 18096 13476 1 19 . 1 1 24 24 LEU H H 24 7.858 7.858 7.985 -0.127 18096 13477 1 19 . 1 1 25 25 ALA N N 25 119.507 119.507 121.054 -1.547 18096 13478 1 19 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.161 -0.221 18096 13479 1 19 . 1 1 25 25 ALA C C 25 177.915 177.915 180.046 -2.131 18096 13480 1 19 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.243 0.369 18096 13481 1 19 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.072 0.179 18096 13482 1 19 . 1 1 25 25 ALA H H 25 8.141 8.141 7.685 0.456 18096 13483 1 19 . 1 1 26 26 ILE N N 26 115.689 115.689 119.694 -4.005 18096 13484 1 19 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.918 -0.120 18096 13485 1 19 . 1 1 26 26 ILE C C 26 177.729 177.729 177.982 -0.253 18096 13486 1 19 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.827 0.513 18096 13487 1 19 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.054 -0.224 18096 13488 1 19 . 1 1 26 26 ILE H H 26 8.012 8.012 7.293 0.719 18096 13489 1 19 . 1 1 27 27 LEU N N 27 118.567 118.567 120.112 -1.545 18096 13490 1 19 . 1 1 27 27 LEU HA H 27 4.006 4.006 3.953 0.053 18096 13491 1 19 . 1 1 27 27 LEU C C 27 178.364 178.364 179.375 -1.011 18096 13492 1 19 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.339 0.398 18096 13493 1 19 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.391 0.446 18096 13494 1 19 . 1 1 27 27 LEU H H 27 8.045 8.045 8.539 -0.494 18096 13495 1 19 . 1 1 28 28 VAL N N 28 113.720 113.720 118.797 -5.077 18096 13496 1 19 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.766 -0.191 18096 13497 1 19 . 1 1 28 28 VAL C C 28 177.809 177.809 178.208 -0.399 18096 13498 1 19 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.109 -0.096 18096 13499 1 19 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.470 0.580 18096 13500 1 19 . 1 1 28 28 VAL H H 28 8.008 8.008 7.653 0.355 18096 13501 1 19 . 1 1 29 29 PHE N N 29 115.458 115.458 118.311 -2.853 18096 13502 1 19 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.241 -0.032 18096 13503 1 19 . 1 1 29 29 PHE C C 29 176.366 176.366 177.412 -1.046 18096 13504 1 19 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.426 -0.568 18096 13505 1 19 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.071 0.526 18096 13506 1 19 . 1 1 29 29 PHE H H 29 7.915 7.915 7.811 0.104 18096 13507 1 19 . 1 1 30 30 TYR N N 30 115.649 115.649 116.519 -0.870 18096 13508 1 19 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.501 -0.260 18096 13509 1 19 . 1 1 30 30 TYR C C 30 175.388 175.388 176.224 -0.836 18096 13510 1 19 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.540 -1.154 18096 13511 1 19 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.801 -0.161 18096 13512 1 19 . 1 1 30 30 TYR H H 30 8.002 8.002 7.826 0.176 18096 13513 1 19 . 1 1 31 31 LEU N N 31 121.144 121.144 120.886 0.258 18096 13514 1 19 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.875 -0.427 18096 13515 1 19 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.345 1.804 18096 13516 1 19 . 1 1 31 31 LEU CB C 31 42.336 42.336 42.865 -0.530 18096 13517 1 19 . 1 1 31 31 LEU H H 31 7.514 7.514 7.880 -0.366 18096 13518 1 19 . 1 1 32 32 PRO C C 32 176.530 176.530 176.604 -0.074 18096 13519 1 19 . 1 1 33 33 SER N N 33 115.448 115.448 118.932 -3.484 18096 13520 1 19 . 1 1 33 33 SER HA H 33 4.317 4.317 4.539 -0.222 18096 13521 1 19 . 1 1 33 33 SER C C 33 174.174 174.174 174.766 -0.592 18096 13522 1 19 . 1 1 33 33 SER CA C 33 59.954 59.954 57.599 2.355 18096 13523 1 19 . 1 1 33 33 SER H H 33 8.370 8.370 8.139 0.231 18096 13524 1 19 . 1 1 34 34 ASP N N 34 119.694 119.694 124.865 -5.171 18096 13525 1 19 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.908 -0.323 18096 13526 1 19 . 1 1 34 34 ASP C C 34 175.971 175.971 175.849 0.122 18096 13527 1 19 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.586 -0.143 18096 13528 1 19 . 1 1 34 34 ASP CB C 34 41.240 41.240 40.514 0.726 18096 13529 1 19 . 1 1 34 34 ASP H H 34 8.209 8.209 8.636 -0.427 18096 13530 1 19 . 1 1 35 35 CYS N N 35 114.872 114.872 118.380 -3.508 18096 13531 1 19 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.616 -0.413 18096 13532 1 19 . 1 1 35 35 CYS C C 35 175.147 175.147 175.007 0.140 18096 13533 1 19 . 1 1 35 35 CYS CA C 35 61.121 61.121 58.321 2.800 18096 13534 1 19 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.461 -0.575 18096 13535 1 19 . 1 1 35 35 CYS H H 35 7.750 7.750 7.784 -0.034 18096 13536 1 19 . 1 1 36 36 GLY N N 36 110.059 110.059 109.694 0.365 18096 13537 1 19 . 1 1 36 36 GLY C C 36 174.391 174.391 175.668 -1.277 18096 13538 1 19 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.724 0.563 18096 13539 1 19 . 1 1 36 36 GLY H H 36 8.357 8.357 8.323 0.034 18096 13540 1 19 . 1 1 37 37 GLU N N 37 121.785 121.785 119.704 2.081 18096 13541 1 19 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.042 0.024 18096 13542 1 19 . 1 1 37 37 GLU C C 37 176.536 176.536 177.942 -1.406 18096 13543 1 19 . 1 1 37 37 GLU CA C 37 58.526 58.526 58.596 -0.070 18096 13544 1 19 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.630 0.100 18096 13545 1 19 . 1 1 37 37 GLU H H 37 8.359 8.359 8.729 -0.370 18096 13546 1 19 . 1 1 38 38 LYS N N 38 123.927 123.927 119.456 4.471 18096 13547 1 19 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.976 0.147 18096 13548 1 19 . 1 1 38 38 LYS C C 38 177.544 177.544 179.261 -1.717 18096 13549 1 19 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.281 -0.712 18096 13550 1 19 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.782 -0.105 18096 13551 1 19 . 1 1 38 38 LYS H H 38 8.226 8.226 8.477 -0.251 18096 13552 1 19 . 1 1 39 39 MET N N 39 117.932 117.932 118.346 -0.414 18096 13553 1 19 . 1 1 39 39 MET HA H 39 4.135 4.135 4.350 -0.215 18096 13554 1 19 . 1 1 39 39 MET C C 39 178.602 178.602 178.134 0.468 18096 13555 1 19 . 1 1 39 39 MET CA C 39 58.851 58.851 58.824 0.027 18096 13556 1 19 . 1 1 39 39 MET CB C 39 32.220 32.220 32.609 -0.389 18096 13557 1 19 . 1 1 39 39 MET H H 39 8.262 8.262 7.623 0.639 18096 13558 1 19 . 1 1 40 40 THR N N 40 117.201 117.201 116.447 0.754 18096 13559 1 19 . 1 1 40 40 THR HA H 40 3.673 3.673 4.020 -0.347 18096 13560 1 19 . 1 1 40 40 THR C C 40 175.927 175.927 176.844 -0.917 18096 13561 1 19 . 1 1 40 40 THR CA C 40 67.352 67.352 66.205 1.147 18096 13562 1 19 . 1 1 40 40 THR H H 40 8.341 8.341 7.829 0.512 18096 13563 1 19 . 1 1 41 41 LEU N N 41 120.040 120.040 121.891 -1.851 18096 13564 1 19 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.271 -0.219 18096 13565 1 19 . 1 1 41 41 LEU C C 41 177.809 177.809 178.328 -0.519 18096 13566 1 19 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.522 0.866 18096 13567 1 19 . 1 1 41 41 LEU H H 41 8.181 8.181 8.163 0.018 18096 13568 1 19 . 1 1 42 42 CYS N N 42 117.556 117.556 119.617 -2.061 18096 13569 1 19 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.008 -0.056 18096 13570 1 19 . 1 1 42 42 CYS C C 42 176.460 176.460 177.318 -0.858 18096 13571 1 19 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.298 1.198 18096 13572 1 19 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.374 -0.541 18096 13573 1 19 . 1 1 42 42 CYS H H 42 7.949 7.949 7.587 0.362 18096 13574 1 19 . 1 1 43 43 ILE N N 43 117.336 117.336 119.826 -2.490 18096 13575 1 19 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.752 -0.123 18096 13576 1 19 . 1 1 43 43 ILE C C 43 177.256 177.256 178.071 -0.815 18096 13577 1 19 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.782 0.293 18096 13578 1 19 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.935 0.009 18096 13579 1 19 . 1 1 43 43 ILE H H 43 8.347 8.347 8.504 -0.157 18096 13580 1 19 . 1 1 44 44 SER N N 44 116.243 116.243 116.866 -0.623 18096 13581 1 19 . 1 1 44 44 SER HA H 44 4.083 4.083 4.249 -0.166 18096 13582 1 19 . 1 1 44 44 SER C C 44 176.305 176.305 176.791 -0.486 18096 13583 1 19 . 1 1 44 44 SER CA C 44 63.348 63.348 62.187 1.161 18096 13584 1 19 . 1 1 44 44 SER CB C 44 62.954 62.954 62.958 -0.004 18096 13585 1 19 . 1 1 44 44 SER H H 44 8.064 8.064 7.616 0.448 18096 13586 1 19 . 1 1 45 45 VAL N N 45 120.333 120.333 121.719 -1.386 18096 13587 1 19 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.736 -0.220 18096 13588 1 19 . 1 1 45 45 VAL C C 45 177.247 177.247 177.829 -0.582 18096 13589 1 19 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.303 0.635 18096 13590 1 19 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.559 0.201 18096 13591 1 19 . 1 1 45 45 VAL H H 45 8.036 8.036 8.501 -0.465 18096 13592 1 19 . 1 1 46 46 LEU N N 46 119.430 119.430 118.879 0.551 18096 13593 1 19 . 1 1 46 46 LEU HA H 46 3.948 3.948 3.998 -0.050 18096 13594 1 19 . 1 1 46 46 LEU C C 46 180.032 180.032 178.962 1.070 18096 13595 1 19 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.655 0.871 18096 13596 1 19 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.625 0.360 18096 13597 1 19 . 1 1 46 46 LEU H H 46 7.959 7.959 7.445 0.514 18096 13598 1 19 . 1 1 47 47 LEU N N 47 121.110 121.110 120.434 0.676 18096 13599 1 19 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.092 -0.094 18096 13600 1 19 . 1 1 47 47 LEU C C 47 177.985 177.985 178.355 -0.370 18096 13601 1 19 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.641 0.798 18096 13602 1 19 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.618 0.428 18096 13603 1 19 . 1 1 47 47 LEU H H 47 8.695 8.695 7.426 1.269 18096 13604 1 19 . 1 1 48 48 ALA N N 48 121.251 121.251 121.766 -0.515 18096 13605 1 19 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.993 -0.148 18096 13606 1 19 . 1 1 48 48 ALA C C 48 178.834 178.834 179.681 -0.847 18096 13607 1 19 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.163 0.546 18096 13608 1 19 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.028 0.105 18096 13609 1 19 . 1 1 48 48 ALA H H 48 8.272 8.272 7.526 0.746 18096 13610 1 19 . 1 1 49 49 LEU N N 49 116.290 116.290 118.876 -2.586 18096 13611 1 19 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.084 -0.087 18096 13612 1 19 . 1 1 49 49 LEU C C 49 178.068 178.068 178.685 -0.617 18096 13613 1 19 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.850 0.458 18096 13614 1 19 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.725 0.221 18096 13615 1 19 . 1 1 49 49 LEU H H 49 8.526 8.526 7.666 0.860 18096 13616 1 19 . 1 1 50 50 THR N N 50 115.495 115.495 116.046 -0.551 18096 13617 1 19 . 1 1 50 50 THR HA H 50 3.692 3.692 3.925 -0.233 18096 13618 1 19 . 1 1 50 50 THR C C 50 176.061 176.061 177.028 -0.967 18096 13619 1 19 . 1 1 50 50 THR CA C 50 68.786 68.786 67.445 1.341 18096 13620 1 19 . 1 1 50 50 THR H H 50 7.996 7.996 7.647 0.349 18096 13621 1 19 . 1 1 51 51 VAL N N 51 119.977 119.977 121.136 -1.159 18096 13622 1 19 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.678 -0.182 18096 13623 1 19 . 1 1 51 51 VAL C C 51 177.063 177.063 177.669 -0.606 18096 13624 1 19 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.551 0.812 18096 13625 1 19 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.153 0.465 18096 13626 1 19 . 1 1 51 51 VAL H H 51 8.145 8.145 7.675 0.470 18096 13627 1 19 . 1 1 52 52 PHE N N 52 118.836 118.836 121.319 -2.483 18096 13628 1 19 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.099 0.003 18096 13629 1 19 . 1 1 52 52 PHE C C 52 176.721 176.721 177.394 -0.673 18096 13630 1 19 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.780 -0.141 18096 13631 1 19 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.811 0.518 18096 13632 1 19 . 1 1 52 52 PHE H H 52 8.354 8.354 7.795 0.559 18096 13633 1 19 . 1 1 53 53 LEU N N 53 117.271 117.271 119.575 -2.304 18096 13634 1 19 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.671 0.201 18096 13635 1 19 . 1 1 53 53 LEU C C 53 179.184 179.184 178.826 0.358 18096 13636 1 19 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.618 -0.762 18096 13637 1 19 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.926 0.069 18096 13638 1 19 . 1 1 53 53 LEU H H 53 8.438 8.438 7.770 0.668 18096 13639 1 19 . 1 1 54 54 LEU N N 54 119.310 119.310 118.822 0.488 18096 13640 1 19 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.859 0.148 18096 13641 1 19 . 1 1 54 54 LEU C C 54 179.224 179.224 178.913 0.311 18096 13642 1 19 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.243 -0.155 18096 13643 1 19 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.877 0.152 18096 13644 1 19 . 1 1 54 54 LEU H H 54 8.147 8.147 7.474 0.673 18096 13645 1 19 . 1 1 55 55 LEU N N 55 118.400 118.400 120.024 -1.624 18096 13646 1 19 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.866 0.234 18096 13647 1 19 . 1 1 55 55 LEU C C 55 178.974 178.974 179.148 -0.174 18096 13648 1 19 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.588 -0.727 18096 13649 1 19 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.131 -0.159 18096 13650 1 19 . 1 1 55 55 LEU H H 55 8.096 8.096 8.056 0.040 18096 13651 1 19 . 1 1 56 56 ILE N N 56 115.919 115.919 117.061 -1.142 18096 13652 1 19 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.787 0.069 18096 13653 1 19 . 1 1 56 56 ILE C C 56 176.763 176.763 177.871 -1.108 18096 13654 1 19 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.888 -0.376 18096 13655 1 19 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.526 0.162 18096 13656 1 19 . 1 1 56 56 ILE H H 56 8.028 8.028 7.483 0.545 18096 13657 1 19 . 1 1 57 57 SER N N 57 114.862 114.862 116.289 -1.427 18096 13658 1 19 . 1 1 57 57 SER HA H 57 4.178 4.178 4.161 0.017 18096 13659 1 19 . 1 1 57 57 SER C C 57 175.258 175.258 175.756 -0.498 18096 13660 1 19 . 1 1 57 57 SER CA C 57 60.946 60.946 61.235 -0.289 18096 13661 1 19 . 1 1 57 57 SER CB C 57 63.558 63.558 63.223 0.335 18096 13662 1 19 . 1 1 57 57 SER H H 57 7.689 7.689 8.275 -0.586 18096 13663 1 19 . 1 1 58 58 LYS N N 58 118.080 118.080 117.289 0.791 18096 13664 1 19 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.324 -0.037 18096 13665 1 19 . 1 1 58 58 LYS C C 58 176.668 176.668 177.821 -1.153 18096 13666 1 19 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.327 -1.220 18096 13667 1 19 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.189 -1.125 18096 13668 1 19 . 1 1 58 58 LYS H H 58 7.595 7.595 7.478 0.117 18096 13669 1 19 . 1 1 59 59 ILE N N 59 116.926 116.926 123.161 -6.235 18096 13670 1 19 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.177 -0.143 18096 13671 1 19 . 1 1 59 59 ILE C C 59 175.226 175.226 174.717 0.509 18096 13672 1 19 . 1 1 59 59 ILE CA C 59 62.384 62.384 61.260 1.124 18096 13673 1 19 . 1 1 59 59 ILE CB C 59 38.073 38.073 36.779 1.294 18096 13674 1 19 . 1 1 59 59 ILE H H 59 7.706 7.706 7.353 0.353 18096 13675 1 19 . 1 1 60 60 VAL N N 60 119.235 119.235 124.534 -5.299 18096 13676 1 19 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.344 -0.018 18096 13677 1 19 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.855 -0.108 18096 13678 1 19 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.742 0.524 18096 13679 1 19 . 1 1 60 60 VAL H H 60 7.586 7.586 7.513 0.073 18096 13680 1 19 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.739 -0.095 18096 13681 1 19 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.489 0.032 18096 13682 1 19 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.479 -0.343 18096 13683 1 19 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.368 0.123 18096 13684 1 19 . 1 1 62 62 PRO C C 62 176.912 176.912 177.383 -0.471 18096 13685 1 19 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.651 -1.408 18096 13686 1 19 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.704 0.174 18096 13687 1 19 . 1 1 63 63 THR N N 63 111.607 111.607 106.525 5.082 18096 13688 1 19 . 1 1 63 63 THR HA H 63 4.447 4.447 4.318 0.129 18096 13689 1 19 . 1 1 63 63 THR C C 63 174.725 174.725 175.326 -0.601 18096 13690 1 19 . 1 1 63 63 THR CA C 63 61.245 61.245 62.885 -1.640 18096 13691 1 19 . 1 1 63 63 THR CB C 63 69.807 69.807 68.577 1.230 18096 13692 1 19 . 1 1 63 63 THR H H 63 7.915 7.915 7.800 0.115 18096 13693 1 19 . 1 1 64 64 SER N N 64 116.516 116.516 116.675 -0.159 18096 13694 1 19 . 1 1 64 64 SER HA H 64 4.411 4.411 4.517 -0.106 18096 13695 1 19 . 1 1 64 64 SER C C 64 174.580 174.580 174.416 0.164 18096 13696 1 19 . 1 1 64 64 SER CA C 64 58.608 58.608 60.168 -1.560 18096 13697 1 19 . 1 1 64 64 SER CB C 64 63.742 63.742 64.026 -0.284 18096 13698 1 19 . 1 1 64 64 SER H H 64 8.127 8.127 7.696 0.431 18096 13699 1 19 . 1 1 65 65 SER N N 65 116.921 116.921 116.862 0.059 18096 13700 1 19 . 1 1 65 65 SER HA H 65 4.453 4.453 4.243 0.210 18096 13701 1 19 . 1 1 65 65 SER C C 65 174.100 174.100 174.460 -0.360 18096 13702 1 19 . 1 1 65 65 SER CA C 65 58.584 58.584 60.047 -1.462 18096 13703 1 19 . 1 1 65 65 SER CB C 65 63.668 63.668 63.777 -0.109 18096 13704 1 19 . 1 1 65 65 SER H H 65 8.169 8.169 7.642 0.527 18096 13705 1 19 . 1 1 66 66 ASP N N 66 120.478 120.478 124.247 -3.769 18096 13706 1 19 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.420 0.204 18096 13707 1 19 . 1 1 66 66 ASP C C 66 175.730 175.730 175.391 0.339 18096 13708 1 19 . 1 1 66 66 ASP CA C 66 54.245 54.245 55.130 -0.885 18096 13709 1 19 . 1 1 66 66 ASP CB C 66 41.195 41.195 40.638 0.557 18096 13710 1 19 . 1 1 66 66 ASP H H 66 8.154 8.154 8.459 -0.305 18096 13711 1 19 . 1 1 67 67 SER N N 67 115.159 115.159 116.818 -1.659 18096 13712 1 19 . 1 1 67 67 SER HA H 67 4.528 4.528 4.289 0.239 18096 13713 1 19 . 1 1 67 67 SER CA C 67 56.493 56.493 58.302 -1.809 18096 13714 1 19 . 1 1 67 67 SER CB C 67 63.604 63.604 63.350 0.254 18096 13715 1 19 . 1 1 67 67 SER H H 67 7.930 7.930 8.390 -0.460 18096 13716 1 19 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.752 -0.357 18096 13717 1 19 . 1 1 68 68 PRO C C 68 176.652 176.652 178.088 -1.436 18096 13718 1 19 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.667 0.926 18096 13719 1 19 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.505 -1.153 18096 13720 1 19 . 1 1 69 69 SER N N 69 115.859 115.859 121.567 -5.708 18096 13721 1 19 . 1 1 69 69 SER HA H 69 4.436 4.436 3.987 0.449 18096 13722 1 19 . 1 1 69 69 SER C C 69 174.611 174.611 176.269 -1.658 18096 13723 1 19 . 1 1 69 69 SER CA C 69 58.264 58.264 61.696 -3.432 18096 13724 1 19 . 1 1 69 69 SER CB C 69 63.919 63.919 62.822 1.097 18096 13725 1 19 . 1 1 69 69 SER H H 69 8.256 8.256 8.859 -0.603 18096 13726 1 19 . 1 1 70 70 VAL N N 70 117.241 117.241 116.921 0.320 18096 13727 1 19 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.183 -0.381 18096 13728 1 19 . 1 1 70 70 VAL C C 70 177.772 177.772 177.726 0.046 18096 13729 1 19 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.978 1.667 18096 13730 1 19 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.271 0.625 18096 13731 1 19 . 1 1 70 70 VAL H H 70 8.211 8.211 8.199 0.012 18096 13732 1 19 . 1 1 71 71 GLY N N 71 106.999 106.999 108.570 -1.571 18096 13733 1 19 . 1 1 71 71 GLY C C 71 175.551 175.551 175.753 -0.202 18096 13734 1 19 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.642 0.603 18096 13735 1 19 . 1 1 71 71 GLY H H 71 8.566 8.566 7.910 0.656 18096 13736 1 19 . 1 1 72 72 GLU N N 72 121.376 121.376 123.333 -1.957 18096 13737 1 19 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.988 -0.099 18096 13738 1 19 . 1 1 72 72 GLU C C 72 178.495 178.495 179.181 -0.686 18096 13739 1 19 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.647 0.471 18096 13740 1 19 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.316 0.275 18096 13741 1 19 . 1 1 72 72 GLU H H 72 7.919 7.919 7.654 0.265 18096 13742 1 19 . 1 1 73 73 TYR N N 73 117.643 117.643 117.875 -0.232 18096 13743 1 19 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.406 -0.344 18096 13744 1 19 . 1 1 73 73 TYR C C 73 179.921 179.921 178.593 1.328 18096 13745 1 19 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.915 1.215 18096 13746 1 19 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.689 1.228 18096 13747 1 19 . 1 1 73 73 TYR H H 73 8.095 8.095 7.597 0.498 18096 13748 1 19 . 1 1 74 74 LEU N N 74 121.712 121.712 120.367 1.345 18096 13749 1 19 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.156 -0.093 18096 13750 1 19 . 1 1 74 74 LEU C C 74 178.385 178.385 178.843 -0.458 18096 13751 1 19 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.754 0.720 18096 13752 1 19 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.687 0.251 18096 13753 1 19 . 1 1 74 74 LEU H H 74 8.615 8.615 7.800 0.815 18096 13754 1 19 . 1 1 75 75 MET N N 75 119.087 119.087 118.703 0.384 18096 13755 1 19 . 1 1 75 75 MET HA H 75 4.056 4.056 3.899 0.157 18096 13756 1 19 . 1 1 75 75 MET C C 75 177.851 177.851 178.300 -0.449 18096 13757 1 19 . 1 1 75 75 MET CA C 75 59.166 59.166 59.818 -0.652 18096 13758 1 19 . 1 1 75 75 MET CB C 75 32.093 32.093 32.266 -0.173 18096 13759 1 19 . 1 1 75 75 MET H H 75 8.362 8.362 7.954 0.408 18096 13760 1 19 . 1 1 76 76 PHE N N 76 117.788 117.788 116.317 1.471 18096 13761 1 19 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.205 -0.100 18096 13762 1 19 . 1 1 76 76 PHE C C 76 177.305 177.305 178.233 -0.928 18096 13763 1 19 . 1 1 76 76 PHE CA C 76 61.376 61.376 61.419 -0.043 18096 13764 1 19 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.297 0.664 18096 13765 1 19 . 1 1 76 76 PHE H H 76 8.471 8.471 7.860 0.611 18096 13766 1 19 . 1 1 77 77 THR N N 77 115.298 115.298 115.836 -0.538 18096 13767 1 19 . 1 1 77 77 THR HA H 77 3.673 3.673 4.057 -0.384 18096 13768 1 19 . 1 1 77 77 THR C C 77 176.057 176.057 176.221 -0.164 18096 13769 1 19 . 1 1 77 77 THR CA C 77 68.423 68.423 66.629 1.794 18096 13770 1 19 . 1 1 77 77 THR CB C 77 68.204 68.204 68.690 -0.486 18096 13771 1 19 . 1 1 77 77 THR H H 77 8.179 8.179 8.164 0.015 18096 13772 1 19 . 1 1 78 78 MET N N 78 119.204 119.204 121.136 -1.932 18096 13773 1 19 . 1 1 78 78 MET HA H 78 4.092 4.092 4.303 -0.211 18096 13774 1 19 . 1 1 78 78 MET C C 78 179.421 179.421 178.197 1.224 18096 13775 1 19 . 1 1 78 78 MET CA C 78 58.810 58.810 59.153 -0.342 18096 13776 1 19 . 1 1 78 78 MET CB C 78 32.176 32.176 32.201 -0.025 18096 13777 1 19 . 1 1 78 78 MET H H 78 8.310 8.310 8.351 -0.041 18096 13778 1 19 . 1 1 79 79 VAL N N 79 122.115 122.115 117.014 5.101 18096 13779 1 19 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.751 -0.259 18096 13780 1 19 . 1 1 79 79 VAL C C 79 176.866 176.866 178.248 -1.382 18096 13781 1 19 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.987 1.387 18096 13782 1 19 . 1 1 79 79 VAL CB C 79 31.615 31.615 30.338 1.277 18096 13783 1 19 . 1 1 79 79 VAL H H 79 8.239 8.239 7.760 0.479 18096 13784 1 19 . 1 1 80 80 LEU N N 80 120.240 120.240 121.309 -1.069 18096 13785 1 19 . 1 1 80 80 LEU HA H 80 3.939 3.939 3.998 -0.059 18096 13786 1 19 . 1 1 80 80 LEU C C 80 180.078 180.078 179.277 0.801 18096 13787 1 19 . 1 1 80 80 LEU CA C 80 58.597 58.597 57.939 0.658 18096 13788 1 19 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.919 0.022 18096 13789 1 19 . 1 1 80 80 LEU H H 80 8.058 8.058 7.425 0.633 18096 13790 1 19 . 1 1 81 81 VAL N N 81 120.008 120.008 118.900 1.108 18096 13791 1 19 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.558 -0.100 18096 13792 1 19 . 1 1 81 81 VAL C C 81 177.670 177.670 178.048 -0.378 18096 13793 1 19 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.070 0.267 18096 13794 1 19 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.762 -0.147 18096 13795 1 19 . 1 1 81 81 VAL H H 81 8.800 8.800 7.884 0.916 18096 13796 1 19 . 1 1 82 82 THR N N 82 116.872 116.872 117.064 -0.192 18096 13797 1 19 . 1 1 82 82 THR HA H 82 3.676 3.676 3.913 -0.237 18096 13798 1 19 . 1 1 82 82 THR C C 82 176.268 176.268 176.817 -0.549 18096 13799 1 19 . 1 1 82 82 THR CA C 82 68.590 68.590 67.097 1.493 18096 13800 1 19 . 1 1 82 82 THR CB C 82 68.468 68.468 68.751 -0.283 18096 13801 1 19 . 1 1 82 82 THR H H 82 8.109 8.109 8.184 -0.075 18096 13802 1 19 . 1 1 83 83 PHE N N 83 119.777 119.777 120.315 -0.538 18096 13803 1 19 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.216 -0.135 18096 13804 1 19 . 1 1 83 83 PHE C C 83 178.015 178.015 177.716 0.299 18096 13805 1 19 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.263 0.349 18096 13806 1 19 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.636 0.050 18096 13807 1 19 . 1 1 83 83 PHE H H 83 8.754 8.754 8.288 0.466 18096 13808 1 19 . 1 1 84 84 SER N N 84 117.769 117.769 114.574 3.195 18096 13809 1 19 . 1 1 84 84 SER HA H 84 4.091 4.091 4.319 -0.228 18096 13810 1 19 . 1 1 84 84 SER C C 84 175.899 175.899 176.842 -0.943 18096 13811 1 19 . 1 1 84 84 SER CA C 84 63.269 63.269 61.645 1.624 18096 13812 1 19 . 1 1 84 84 SER CB C 84 62.962 62.962 63.092 -0.130 18096 13813 1 19 . 1 1 84 84 SER H H 84 8.335 8.335 7.600 0.735 18096 13814 1 19 . 1 1 85 85 ILE N N 85 122.986 122.986 121.282 1.704 18096 13815 1 19 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.761 -0.112 18096 13816 1 19 . 1 1 85 85 ILE C C 85 177.778 177.778 177.717 0.061 18096 13817 1 19 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.464 1.040 18096 13818 1 19 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.014 1.101 18096 13819 1 19 . 1 1 85 85 ILE H H 85 8.187 8.187 7.602 0.585 18096 13820 1 19 . 1 1 86 86 VAL N N 86 117.289 117.289 117.523 -0.234 18096 13821 1 19 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.665 -0.156 18096 13822 1 19 . 1 1 86 86 VAL C C 86 177.816 177.816 177.852 -0.036 18096 13823 1 19 . 1 1 86 86 VAL CA C 86 67.047 67.047 66.633 0.414 18096 13824 1 19 . 1 1 86 86 VAL CB C 86 31.597 31.597 30.453 1.144 18096 13825 1 19 . 1 1 86 86 VAL H H 86 8.367 8.367 7.617 0.750 18096 13826 1 19 . 1 1 87 87 THR N N 87 116.788 116.788 113.137 3.651 18096 13827 1 19 . 1 1 87 87 THR HA H 87 3.758 3.758 3.942 -0.184 18096 13828 1 19 . 1 1 87 87 THR C C 87 176.095 176.095 176.884 -0.789 18096 13829 1 19 . 1 1 87 87 THR CA C 87 67.248 67.248 65.397 1.851 18096 13830 1 19 . 1 1 87 87 THR H H 87 8.007 8.007 7.108 0.899 18096 13831 1 19 . 1 1 88 88 SER N N 88 116.157 116.157 118.902 -2.745 18096 13832 1 19 . 1 1 88 88 SER HA H 88 4.018 4.018 4.087 -0.069 18096 13833 1 19 . 1 1 88 88 SER C C 88 174.932 174.932 176.436 -1.504 18096 13834 1 19 . 1 1 88 88 SER CA C 88 62.717 62.717 62.087 0.630 18096 13835 1 19 . 1 1 88 88 SER CB C 88 62.954 62.954 62.998 -0.044 18096 13836 1 19 . 1 1 88 88 SER H H 88 7.662 7.662 8.215 -0.553 18096 13837 1 19 . 1 1 89 89 VAL N N 89 117.956 117.956 120.641 -2.685 18096 13838 1 19 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.875 -0.359 18096 13839 1 19 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.794 1.472 18096 13840 1 19 . 1 1 89 89 VAL H H 89 8.274 8.274 7.548 0.726 18096 13841 1 19 . 1 1 90 90 CYS N N 90 116.319 116.319 118.217 -1.898 18096 13842 1 19 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.172 0.057 18096 13843 1 19 . 1 1 90 90 CYS C C 90 175.174 175.174 176.364 -1.190 18096 13844 1 19 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.745 -0.127 18096 13845 1 19 . 1 1 90 90 CYS CB C 90 26.791 26.791 26.155 0.636 18096 13846 1 19 . 1 1 90 90 CYS H H 90 7.654 7.654 7.732 -0.078 18096 13847 1 19 . 1 1 91 91 VAL N N 91 115.534 115.534 118.127 -2.593 18096 13848 1 19 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.965 -0.339 18096 13849 1 19 . 1 1 91 91 VAL C C 91 176.038 176.038 177.691 -1.653 18096 13850 1 19 . 1 1 91 91 VAL CA C 91 63.608 63.608 64.945 -1.337 18096 13851 1 19 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.120 -0.197 18096 13852 1 19 . 1 1 91 91 VAL H H 91 7.760 7.760 7.721 0.039 18096 13853 1 19 . 1 1 92 92 LEU N N 92 119.713 119.713 120.621 -0.908 18096 13854 1 19 . 1 1 92 92 LEU HA H 92 4.240 4.240 3.999 0.241 18096 13855 1 19 . 1 1 92 92 LEU C C 92 176.769 176.769 177.221 -0.452 18096 13856 1 19 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.546 -1.956 18096 13857 1 19 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.698 -0.766 18096 13858 1 19 . 1 1 92 92 LEU H H 92 7.732 7.732 7.514 0.218 18096 13859 1 19 . 1 1 93 93 ASN N N 93 117.817 117.817 113.535 4.282 18096 13860 1 19 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.819 -0.143 18096 13861 1 19 . 1 1 93 93 ASN C C 93 174.955 174.955 173.598 1.357 18096 13862 1 19 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.626 0.629 18096 13863 1 19 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.436 -0.928 18096 13864 1 19 . 1 1 93 93 ASN H H 93 7.916 7.916 8.011 -0.095 18096 13865 1 19 . 1 1 94 94 VAL N N 94 118.650 118.650 123.700 -5.050 18096 13866 1 19 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.153 -0.129 18096 13867 1 19 . 1 1 94 94 VAL C C 94 175.740 175.740 175.172 0.568 18096 13868 1 19 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.545 -0.013 18096 13869 1 19 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.366 -0.734 18096 13870 1 19 . 1 1 94 94 VAL H H 94 7.730 7.730 8.441 -0.711 18096 13871 1 19 . 1 1 95 95 HIS N N 95 121.293 121.293 122.664 -1.371 18096 13872 1 19 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.439 0.180 18096 13873 1 19 . 1 1 95 95 HIS C C 95 174.146 174.146 174.504 -0.358 18096 13874 1 19 . 1 1 95 95 HIS CA C 95 55.582 55.582 56.240 -0.658 18096 13875 1 19 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.062 -0.307 18096 13876 1 19 . 1 1 95 95 HIS H H 95 8.341 8.341 8.502 -0.161 18096 13877 1 19 . 1 1 96 96 HIS N N 96 122.728 122.728 119.939 2.789 18096 13878 1 19 . 1 1 96 96 HIS HA H 96 4.635 4.635 5.015 -0.380 18096 13879 1 19 . 1 1 96 96 HIS CA C 96 55.582 55.582 55.502 0.080 18096 13880 1 19 . 1 1 96 96 HIS CB C 96 29.773 29.773 31.162 -1.389 18096 13881 1 19 . 1 1 96 96 HIS H H 96 8.333 8.333 8.295 0.038 18096 13882 1 19 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.694 -0.399 18096 13883 1 19 . 1 1 97 97 ARG C C 97 175.776 175.776 175.689 0.087 18096 13884 1 19 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.627 0.603 18096 13885 1 19 . 1 1 97 97 ARG CB C 97 31.030 31.030 32.537 -1.507 18096 13886 1 19 . 1 1 98 98 SER N N 98 118.439 118.439 119.644 -1.205 18096 13887 1 19 . 1 1 98 98 SER HA H 98 4.736 4.736 4.726 0.010 18096 13888 1 19 . 1 1 98 98 SER CA C 98 56.614 56.614 57.215 -0.601 18096 13889 1 19 . 1 1 98 98 SER CB C 98 63.622 63.622 63.252 0.370 18096 13890 1 19 . 1 1 98 98 SER H H 98 8.250 8.250 8.445 -0.195 18096 13891 1 19 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.307 0.087 18096 13892 1 19 . 1 1 99 99 PRO C C 99 176.879 176.879 176.706 0.173 18096 13893 1 19 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.198 -0.501 18096 13894 1 19 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.038 0.008 18096 13895 1 19 . 1 1 100 100 GLU N N 100 120.297 120.297 119.789 0.508 18096 13896 1 19 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.505 -0.206 18096 13897 1 19 . 1 1 100 100 GLU C C 100 176.576 176.576 175.629 0.947 18096 13898 1 19 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.832 0.635 18096 13899 1 19 . 1 1 100 100 GLU CB C 100 29.944 29.944 30.612 -0.668 18096 13900 1 19 . 1 1 100 100 GLU H H 100 8.391 8.391 8.171 0.220 18096 13901 1 19 . 1 1 101 101 THR N N 101 114.144 114.144 117.743 -3.599 18096 13902 1 19 . 1 1 101 101 THR HA H 101 4.280 4.280 4.750 -0.470 18096 13903 1 19 . 1 1 101 101 THR C C 101 174.515 174.515 173.535 0.980 18096 13904 1 19 . 1 1 101 101 THR CA C 101 61.975 61.975 61.413 0.562 18096 13905 1 19 . 1 1 101 101 THR CB C 101 69.817 69.817 70.669 -0.852 18096 13906 1 19 . 1 1 101 101 THR H H 101 7.946 7.946 8.414 -0.468 18096 13907 1 19 . 1 1 102 102 HIS N N 102 120.429 120.429 120.566 -0.137 18096 13908 1 19 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.845 -0.095 18096 13909 1 19 . 1 1 102 102 HIS C C 102 174.764 174.764 175.257 -0.493 18096 13910 1 19 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.266 0.419 18096 13911 1 19 . 1 1 102 102 HIS CB C 102 29.245 29.245 31.264 -2.019 18096 13912 1 19 . 1 1 102 102 HIS H H 102 8.459 8.459 8.515 -0.056 18096 13913 1 19 . 1 1 103 103 THR N N 103 114.319 114.319 117.887 -3.568 18096 13914 1 19 . 1 1 103 103 THR HA H 103 4.345 4.345 4.316 0.029 18096 13915 1 19 . 1 1 103 103 THR C C 103 175.087 175.087 175.062 0.025 18096 13916 1 19 . 1 1 103 103 THR CA C 103 61.976 61.976 62.289 -0.313 18096 13917 1 19 . 1 1 103 103 THR CB C 103 69.831 69.831 69.342 0.489 18096 13918 1 19 . 1 1 103 103 THR H H 103 8.068 8.068 8.644 -0.576 18096 13919 1 19 . 1 1 104 104 GLY N N 104 111.143 111.143 111.688 -0.545 18096 13920 1 19 . 1 1 104 104 GLY C C 104 174.757 174.757 173.212 1.545 18096 13921 1 19 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.641 0.961 18096 13922 1 19 . 1 1 104 104 GLY H H 104 8.389 8.389 8.380 0.009 18096 13923 1 19 . 1 1 105 105 GLY N N 105 108.642 108.642 107.157 1.485 18096 13924 1 19 . 1 1 105 105 GLY C C 105 174.892 174.892 174.030 0.862 18096 13925 1 19 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.589 0.013 18096 13926 1 19 . 1 1 105 105 GLY H H 105 8.272 8.272 8.365 -0.093 18096 13927 1 19 . 1 1 106 106 GLY N N 106 108.820 108.820 108.019 0.801 18096 13928 1 19 . 1 1 106 106 GLY C C 106 174.886 174.886 174.847 0.039 18096 13929 1 19 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.456 1.146 18096 13930 1 19 . 1 1 106 106 GLY H H 106 8.359 8.359 8.192 0.167 18096 13931 1 19 . 1 1 107 107 GLY N N 107 108.550 108.550 108.665 -0.115 18096 13932 1 19 . 1 1 107 107 GLY C C 107 174.886 174.886 175.180 -0.294 18096 13933 1 19 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.385 1.217 18096 13934 1 19 . 1 1 107 107 GLY H H 107 8.338 8.338 8.246 0.092 18096 13935 1 19 . 1 1 108 108 GLY N N 108 108.519 108.519 107.654 0.865 18096 13936 1 19 . 1 1 108 108 GLY C C 108 175.411 175.411 175.242 0.169 18096 13937 1 19 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.395 1.412 18096 13938 1 19 . 1 1 108 108 GLY H H 108 8.336 8.336 8.189 0.147 18096 13939 1 19 . 1 1 109 109 ILE N N 109 120.914 120.914 121.992 -1.078 18096 13940 1 19 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.849 0.127 18096 13941 1 19 . 1 1 109 109 ILE C C 109 176.019 176.019 176.007 0.012 18096 13942 1 19 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.326 -1.399 18096 13943 1 19 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.911 0.162 18096 13944 1 19 . 1 1 109 109 ILE H H 109 8.233 8.233 7.947 0.286 18096 13945 1 19 . 1 1 110 110 ASP N N 110 121.149 121.149 120.480 0.669 18096 13946 1 19 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.348 -0.096 18096 13947 1 19 . 1 1 110 110 ASP C C 110 177.648 177.648 178.752 -1.104 18096 13948 1 19 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.928 -1.127 18096 13949 1 19 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.304 -0.123 18096 13950 1 19 . 1 1 110 110 ASP H H 110 8.369 8.369 8.685 -0.316 18096 13951 1 19 . 1 1 111 111 ARG N N 111 119.198 119.198 120.056 -0.858 18096 13952 1 19 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.201 -0.212 18096 13953 1 19 . 1 1 111 111 ARG C C 111 177.502 177.502 178.934 -1.432 18096 13954 1 19 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.199 0.521 18096 13955 1 19 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.888 0.215 18096 13956 1 19 . 1 1 111 111 ARG H H 111 7.835 7.835 7.671 0.164 18096 13957 1 19 . 1 1 112 112 LEU N N 112 118.935 118.935 121.645 -2.710 18096 13958 1 19 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.258 -0.255 18096 13959 1 19 . 1 1 112 112 LEU C C 112 178.356 178.356 178.670 -0.314 18096 13960 1 19 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.653 -0.418 18096 13961 1 19 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.345 0.398 18096 13962 1 19 . 1 1 112 112 LEU H H 112 7.783 7.783 8.177 -0.394 18096 13963 1 19 . 1 1 113 113 PHE N N 113 116.117 116.117 119.817 -3.700 18096 13964 1 19 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.209 -0.125 18096 13965 1 19 . 1 1 113 113 PHE C C 113 177.092 177.092 178.095 -1.003 18096 13966 1 19 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.499 0.893 18096 13967 1 19 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.847 0.044 18096 13968 1 19 . 1 1 113 113 PHE H H 113 8.072 8.072 8.285 -0.213 18096 13969 1 19 . 1 1 114 114 LEU N N 114 118.710 118.710 119.506 -0.796 18096 13970 1 19 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.831 0.170 18096 13971 1 19 . 1 1 114 114 LEU C C 114 178.210 178.210 178.322 -0.112 18096 13972 1 19 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.402 0.107 18096 13973 1 19 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.866 -0.082 18096 13974 1 19 . 1 1 114 114 LEU H H 114 7.881 7.881 7.569 0.312 18096 13975 1 19 . 1 1 115 115 TRP N N 115 117.801 117.801 122.164 -4.363 18096 13976 1 19 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.281 0.001 18096 13977 1 19 . 1 1 115 115 TRP C C 115 178.536 178.536 178.269 0.267 18096 13978 1 19 . 1 1 115 115 TRP CA C 115 60.744 60.744 61.470 -0.726 18096 13979 1 19 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.550 -0.425 18096 13980 1 19 . 1 1 115 115 TRP H H 115 7.925 7.925 8.428 -0.503 18096 13981 1 19 . 1 1 116 116 ILE N N 116 118.212 118.212 116.829 1.383 18096 13982 1 19 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.245 0.449 18096 13983 1 19 . 1 1 116 116 ILE C C 116 177.423 177.423 177.481 -0.058 18096 13984 1 19 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.749 1.238 18096 13985 1 19 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.333 0.818 18096 13986 1 19 . 1 1 116 116 ILE H H 116 8.355 8.355 8.741 -0.386 18096 13987 1 19 . 1 1 117 117 PHE N N 117 119.509 119.509 120.836 -1.327 18096 13988 1 19 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.279 -0.185 18096 13989 1 19 . 1 1 117 117 PHE C C 117 177.389 177.389 176.896 0.493 18096 13990 1 19 . 1 1 117 117 PHE CA C 117 61.945 61.945 59.780 2.165 18096 13991 1 19 . 1 1 117 117 PHE CB C 117 38.939 38.939 39.090 -0.151 18096 13992 1 19 . 1 1 117 117 PHE H H 117 8.419 8.419 7.370 1.049 18096 13993 1 19 . 1 1 118 118 VAL N N 118 118.927 118.927 119.617 -0.690 18096 13994 1 19 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.249 0.261 18096 13995 1 19 . 1 1 118 118 VAL C C 118 177.452 177.452 177.577 -0.125 18096 13996 1 19 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.442 0.998 18096 13997 1 19 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.520 -0.058 18096 13998 1 19 . 1 1 118 118 VAL H H 118 8.509 8.509 8.143 0.366 18096 13999 1 19 . 1 1 119 119 PHE N N 119 118.638 118.638 120.592 -1.954 18096 14000 1 19 . 1 1 119 119 PHE HA H 119 4.040 4.040 3.999 0.041 18096 14001 1 19 . 1 1 119 119 PHE C C 119 177.403 177.403 177.340 0.063 18096 14002 1 19 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.913 0.690 18096 14003 1 19 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.607 0.538 18096 14004 1 19 . 1 1 119 119 PHE H H 119 8.477 8.477 7.995 0.482 18096 14005 1 19 . 1 1 120 120 VAL N N 120 118.660 118.660 118.740 -0.080 18096 14006 1 19 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.710 -0.243 18096 14007 1 19 . 1 1 120 120 VAL C C 120 177.851 177.851 176.839 1.012 18096 14008 1 19 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.781 1.655 18096 14009 1 19 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.770 -0.111 18096 14010 1 19 . 1 1 120 120 VAL H H 120 8.705 8.705 7.599 1.106 18096 14011 1 19 . 1 1 121 121 CYS N N 121 117.055 117.055 116.889 0.166 18096 14012 1 19 . 1 1 121 121 CYS HA H 121 3.902 3.902 3.950 -0.048 18096 14013 1 19 . 1 1 121 121 CYS C C 121 177.629 177.629 176.559 1.070 18096 14014 1 19 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.163 2.175 18096 14015 1 19 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.612 0.177 18096 14016 1 19 . 1 1 121 121 CYS H H 121 7.981 7.981 7.280 0.701 18096 14017 1 19 . 1 1 122 122 VAL N N 122 120.422 120.422 121.119 -0.697 18096 14018 1 19 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.606 -0.127 18096 14019 1 19 . 1 1 122 122 VAL C C 122 176.923 176.923 177.234 -0.311 18096 14020 1 19 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.200 1.061 18096 14021 1 19 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.404 0.722 18096 14022 1 19 . 1 1 122 122 VAL H H 122 8.487 8.487 7.720 0.767 18096 14023 1 19 . 1 1 123 123 PHE N N 123 117.927 117.927 119.837 -1.910 18096 14024 1 19 . 1 1 123 123 PHE HA H 123 4.034 4.034 3.967 0.067 18096 14025 1 19 . 1 1 123 123 PHE C C 123 178.151 178.151 177.258 0.893 18096 14026 1 19 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.620 0.474 18096 14027 1 19 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.232 0.405 18096 14028 1 19 . 1 1 123 123 PHE H H 123 8.630 8.630 8.449 0.181 18096 14029 1 19 . 1 1 124 124 GLY N N 124 106.539 106.539 106.135 0.404 18096 14030 1 19 . 1 1 124 124 GLY C C 124 174.290 174.290 175.407 -1.117 18096 14031 1 19 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.127 0.424 18096 14032 1 19 . 1 1 124 124 GLY H H 124 8.689 8.689 7.838 0.851 18096 14033 1 19 . 1 1 125 125 THR N N 125 117.059 117.059 119.095 -2.036 18096 14034 1 19 . 1 1 125 125 THR HA H 125 3.649 3.649 3.901 -0.252 18096 14035 1 19 . 1 1 125 125 THR C C 125 176.231 176.231 176.578 -0.347 18096 14036 1 19 . 1 1 125 125 THR CA C 125 67.989 67.989 66.694 1.295 18096 14037 1 19 . 1 1 125 125 THR H H 125 7.553 7.553 7.316 0.237 18096 14038 1 19 . 1 1 126 126 ILE N N 126 119.538 119.538 120.333 -0.795 18096 14039 1 19 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.677 -0.029 18096 14040 1 19 . 1 1 126 126 ILE C C 126 177.976 177.976 178.148 -0.172 18096 14041 1 19 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.170 1.545 18096 14042 1 19 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.762 1.068 18096 14043 1 19 . 1 1 126 126 ILE H H 126 8.003 8.003 8.364 -0.361 18096 14044 1 19 . 1 1 127 127 GLY N N 127 105.404 105.404 107.714 -2.310 18096 14045 1 19 . 1 1 127 127 GLY C C 127 174.597 174.597 176.776 -2.179 18096 14046 1 19 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.822 0.747 18096 14047 1 19 . 1 1 127 127 GLY H H 127 8.438 8.438 7.854 0.584 18096 14048 1 19 . 1 1 128 128 MET N N 128 117.893 117.893 120.354 -2.461 18096 14049 1 19 . 1 1 128 128 MET HA H 128 4.153 4.153 4.230 -0.077 18096 14050 1 19 . 1 1 128 128 MET C C 128 177.815 177.815 177.740 0.075 18096 14051 1 19 . 1 1 128 128 MET CA C 128 58.198 58.198 58.095 0.103 18096 14052 1 19 . 1 1 128 128 MET CB C 128 32.113 32.113 32.418 -0.305 18096 14053 1 19 . 1 1 128 128 MET H H 128 7.821 7.821 7.599 0.222 18096 14054 1 19 . 1 1 129 129 PHE N N 129 116.018 116.018 119.113 -3.095 18096 14055 1 19 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.369 -0.235 18096 14056 1 19 . 1 1 129 129 PHE C C 129 175.863 175.863 175.230 0.633 18096 14057 1 19 . 1 1 129 129 PHE CA C 129 59.815 59.815 59.220 0.595 18096 14058 1 19 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.659 -0.569 18096 14059 1 19 . 1 1 129 129 PHE H H 129 7.797 7.797 7.821 -0.024 18096 14060 1 19 . 1 1 130 130 LEU N N 130 115.806 115.806 117.458 -1.652 18096 14061 1 19 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.125 0.213 18096 14062 1 19 . 1 1 130 130 LEU C C 130 177.219 177.219 177.523 -0.304 18096 14063 1 19 . 1 1 130 130 LEU CA C 130 55.467 55.467 55.041 0.426 18096 14064 1 19 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.374 0.050 18096 14065 1 19 . 1 1 130 130 LEU H H 130 7.745 7.745 7.444 0.301 18096 14066 1 19 . 1 1 131 131 GLN N N 131 118.630 118.630 119.579 -0.949 18096 14067 1 19 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.090 0.014 18096 14068 1 19 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.285 2.034 18096 14069 1 19 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.232 -0.411 18096 14070 1 19 . 1 1 131 131 GLN H H 131 7.808 7.808 7.538 0.270 18096 14071 1 19 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.396 -0.023 18096 14072 1 19 . 1 1 132 132 PRO C C 132 177.739 177.739 177.035 0.704 18096 14073 1 19 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.520 2.863 18096 14074 1 19 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.031 -0.505 18096 14075 1 19 . 1 1 133 133 LEU N N 133 115.632 115.632 116.692 -1.060 18096 14076 1 19 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.182 -0.118 18096 14077 1 19 . 1 1 133 133 LEU C C 133 176.918 176.918 176.157 0.761 18096 14078 1 19 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.789 -0.388 18096 14079 1 19 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.027 -0.038 18096 14080 1 19 . 1 1 133 133 LEU H H 133 7.689 7.689 8.167 -0.478 18096 14081 1 19 . 1 1 134 134 PHE N N 134 114.807 114.807 116.664 -1.857 18096 14082 1 19 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.584 -0.055 18096 14083 1 19 . 1 1 134 134 PHE C C 134 175.245 175.245 175.140 0.105 18096 14084 1 19 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.625 0.113 18096 14085 1 19 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.763 -0.154 18096 14086 1 19 . 1 1 134 134 PHE H H 134 7.679 7.679 7.379 0.300 18096 14087 1 19 . 1 1 135 135 GLN N N 135 118.318 118.318 120.212 -1.894 18096 14088 1 19 . 1 1 135 135 GLN HA H 135 4.315 4.315 3.953 0.362 18096 14089 1 19 . 1 1 135 135 GLN C C 135 175.361 175.361 175.157 0.204 18096 14090 1 19 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.641 -1.534 18096 14091 1 19 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.005 0.861 18096 14092 1 19 . 1 1 135 135 GLN H H 135 7.651 7.651 8.733 -1.082 18096 14093 1 19 . 1 1 136 136 GLU N N 136 120.684 120.684 119.058 1.626 18096 14094 1 19 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.068 0.243 18096 14095 1 19 . 1 1 136 136 GLU C C 136 175.153 175.153 175.293 -0.140 18096 14096 1 19 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.928 -0.453 18096 14097 1 19 . 1 1 136 136 GLU CB C 136 30.232 30.232 29.212 1.020 18096 14098 1 19 . 1 1 136 136 GLU H H 136 8.109 8.109 8.524 -0.415 18096 14099 1 20 . 1 1 3 3 ALA N N 3 124.656 124.656 121.194 3.462 18096 14100 1 20 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.364 -0.158 18096 14101 1 20 . 1 1 3 3 ALA C C 3 178.133 178.133 177.025 1.108 18096 14102 1 20 . 1 1 3 3 ALA CA C 3 53.685 53.685 53.263 0.422 18096 14103 1 20 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.252 -0.169 18096 14104 1 20 . 1 1 3 3 ALA H H 3 8.402 8.402 7.716 0.686 18096 14105 1 20 . 1 1 4 4 GLU N N 4 117.439 117.439 120.110 -2.671 18096 14106 1 20 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.311 -0.182 18096 14107 1 20 . 1 1 4 4 GLU C C 4 176.534 176.534 175.803 0.731 18096 14108 1 20 . 1 1 4 4 GLU CA C 4 57.424 57.424 55.688 1.736 18096 14109 1 20 . 1 1 4 4 GLU CB C 4 29.884 29.884 29.625 0.259 18096 14110 1 20 . 1 1 4 4 GLU H H 4 8.219 8.219 8.177 0.042 18096 14111 1 20 . 1 1 5 5 GLU N N 5 118.815 118.815 118.405 0.410 18096 14112 1 20 . 1 1 5 5 GLU HA H 5 4.211 4.211 3.925 0.286 18096 14113 1 20 . 1 1 5 5 GLU C C 5 176.604 176.604 176.015 0.589 18096 14114 1 20 . 1 1 5 5 GLU CA C 5 56.951 56.951 57.061 -0.110 18096 14115 1 20 . 1 1 5 5 GLU CB C 5 29.962 29.962 28.312 1.650 18096 14116 1 20 . 1 1 5 5 GLU H H 5 7.992 7.992 8.302 -0.310 18096 14117 1 20 . 1 1 6 6 GLU N N 6 121.446 121.446 121.970 -0.524 18096 14118 1 20 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.052 0.132 18096 14119 1 20 . 1 1 6 6 GLU CA C 6 57.421 57.421 60.122 -2.701 18096 14120 1 20 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.802 0.181 18096 14121 1 20 . 1 1 6 6 GLU H H 6 8.148 8.148 8.716 -0.568 18096 14122 1 20 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.414 -0.151 18096 14123 1 20 . 1 1 7 7 PRO C C 7 178.717 178.717 178.688 0.029 18096 14124 1 20 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.239 0.290 18096 14125 1 20 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.331 -0.008 18096 14126 1 20 . 1 1 8 8 LEU N N 8 119.642 119.642 116.844 2.798 18096 14127 1 20 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.241 -0.289 18096 14128 1 20 . 1 1 8 8 LEU C C 8 177.905 177.905 178.264 -0.359 18096 14129 1 20 . 1 1 8 8 LEU CA C 8 57.931 57.931 57.056 0.875 18096 14130 1 20 . 1 1 8 8 LEU CB C 8 41.773 41.773 40.843 0.930 18096 14131 1 20 . 1 1 8 8 LEU H H 8 8.222 8.222 8.385 -0.163 18096 14132 1 20 . 1 1 9 9 PHE N N 9 118.625 118.625 118.250 0.375 18096 14133 1 20 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.381 -0.209 18096 14134 1 20 . 1 1 9 9 PHE C C 9 177.620 177.620 177.340 0.280 18096 14135 1 20 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.811 0.261 18096 14136 1 20 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.099 -0.261 18096 14137 1 20 . 1 1 9 9 PHE H H 9 8.071 8.071 7.664 0.407 18096 14138 1 20 . 1 1 10 10 TYR N N 10 117.829 117.829 121.005 -3.176 18096 14139 1 20 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.175 0.015 18096 14140 1 20 . 1 1 10 10 TYR C C 10 177.743 177.743 177.594 0.149 18096 14141 1 20 . 1 1 10 10 TYR CA C 10 61.209 61.209 62.156 -0.946 18096 14142 1 20 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.928 -0.213 18096 14143 1 20 . 1 1 10 10 TYR H H 10 8.204 8.204 7.916 0.288 18096 14144 1 20 . 1 1 11 11 THR N N 11 115.545 115.545 114.431 1.114 18096 14145 1 20 . 1 1 11 11 THR HA H 11 3.875 3.875 4.050 -0.175 18096 14146 1 20 . 1 1 11 11 THR C C 11 175.937 175.937 176.495 -0.558 18096 14147 1 20 . 1 1 11 11 THR CA C 11 67.187 67.187 66.193 0.994 18096 14148 1 20 . 1 1 11 11 THR CB C 11 68.579 68.579 68.608 -0.029 18096 14149 1 20 . 1 1 11 11 THR H H 11 7.934 7.934 7.665 0.269 18096 14150 1 20 . 1 1 12 12 ILE N N 12 120.096 120.096 120.724 -0.628 18096 14151 1 20 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.633 0.049 18096 14152 1 20 . 1 1 12 12 ILE C C 12 175.863 175.863 177.497 -1.634 18096 14153 1 20 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.924 -0.103 18096 14154 1 20 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.572 0.384 18096 14155 1 20 . 1 1 12 12 ILE H H 12 8.172 8.172 7.440 0.732 18096 14156 1 20 . 1 1 13 13 ASN N N 13 114.444 114.444 117.580 -3.136 18096 14157 1 20 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.479 -0.086 18096 14158 1 20 . 1 1 13 13 ASN C C 13 174.880 174.880 176.521 -1.641 18096 14159 1 20 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.711 -0.454 18096 14160 1 20 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.641 0.905 18096 14161 1 20 . 1 1 13 13 ASN H H 13 7.731 7.731 7.595 0.136 18096 14162 1 20 . 1 1 14 14 LEU N N 14 115.306 115.306 119.201 -3.895 18096 14163 1 20 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.376 -0.030 18096 14164 1 20 . 1 1 14 14 LEU C C 14 177.427 177.427 177.535 -0.108 18096 14165 1 20 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.755 -0.385 18096 14166 1 20 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.635 -0.869 18096 14167 1 20 . 1 1 14 14 LEU H H 14 7.381 7.381 7.222 0.159 18096 14168 1 20 . 1 1 15 15 ILE N N 15 117.935 117.935 119.785 -1.850 18096 14169 1 20 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.649 -0.051 18096 14170 1 20 . 1 1 15 15 ILE CA C 15 65.452 65.452 64.749 0.703 18096 14171 1 20 . 1 1 15 15 ILE CB C 15 37.681 37.681 38.145 -0.464 18096 14172 1 20 . 1 1 15 15 ILE H H 15 8.135 8.135 7.361 0.774 18096 14173 1 20 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.438 -0.392 18096 14174 1 20 . 1 1 17 17 PRO C C 17 177.518 177.518 179.096 -1.578 18096 14175 1 20 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.703 0.942 18096 14176 1 20 . 1 1 17 17 PRO CB C 17 30.966 30.966 31.207 -0.241 18096 14177 1 20 . 1 1 18 18 CYS N N 18 113.411 113.411 118.146 -4.735 18096 14178 1 20 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.098 -0.147 18096 14179 1 20 . 1 1 18 18 CYS C C 18 177.617 177.617 177.011 0.606 18096 14180 1 20 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.877 0.611 18096 14181 1 20 . 1 1 18 18 CYS CB C 18 26.768 26.768 26.474 0.294 18096 14182 1 20 . 1 1 18 18 CYS H H 18 7.338 7.338 7.579 -0.241 18096 14183 1 20 . 1 1 19 19 VAL N N 19 121.720 121.720 119.174 2.546 18096 14184 1 20 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.660 -0.139 18096 14185 1 20 . 1 1 19 19 VAL C C 19 178.069 178.069 178.225 -0.156 18096 14186 1 20 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.210 0.855 18096 14187 1 20 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.555 0.197 18096 14188 1 20 . 1 1 19 19 VAL H H 19 8.587 8.587 7.901 0.686 18096 14189 1 20 . 1 1 20 20 LEU N N 20 121.731 121.731 121.313 0.418 18096 14190 1 20 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.954 0.067 18096 14191 1 20 . 1 1 20 20 LEU C C 20 177.989 177.989 178.748 -0.759 18096 14192 1 20 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.109 0.540 18096 14193 1 20 . 1 1 20 20 LEU CB C 20 41.934 41.934 42.053 -0.119 18096 14194 1 20 . 1 1 20 20 LEU H H 20 8.344 8.344 7.229 1.115 18096 14195 1 20 . 1 1 21 21 ILE N N 21 117.403 117.403 118.579 -1.176 18096 14196 1 20 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.642 0.027 18096 14197 1 20 . 1 1 21 21 ILE C C 21 176.947 176.947 178.347 -1.400 18096 14198 1 20 . 1 1 21 21 ILE CA C 21 65.356 65.356 64.560 0.796 18096 14199 1 20 . 1 1 21 21 ILE CB C 21 37.918 37.918 36.485 1.433 18096 14200 1 20 . 1 1 21 21 ILE H H 21 8.371 8.371 8.537 -0.166 18096 14201 1 20 . 1 1 22 22 THR N N 22 115.544 115.544 115.229 0.315 18096 14202 1 20 . 1 1 22 22 THR HA H 22 3.681 3.681 3.966 -0.285 18096 14203 1 20 . 1 1 22 22 THR C C 22 176.073 176.073 177.022 -0.949 18096 14204 1 20 . 1 1 22 22 THR CA C 22 68.152 68.152 67.010 1.142 18096 14205 1 20 . 1 1 22 22 THR CB C 22 68.428 68.428 68.469 -0.041 18096 14206 1 20 . 1 1 22 22 THR H H 22 7.829 7.829 7.664 0.165 18096 14207 1 20 . 1 1 23 23 SER N N 23 116.192 116.192 117.777 -1.585 18096 14208 1 20 . 1 1 23 23 SER HA H 23 4.023 4.023 4.155 -0.132 18096 14209 1 20 . 1 1 23 23 SER C C 23 175.279 175.279 176.525 -1.246 18096 14210 1 20 . 1 1 23 23 SER CA C 23 63.884 63.884 61.356 2.528 18096 14211 1 20 . 1 1 23 23 SER CB C 23 62.971 62.971 62.946 0.025 18096 14212 1 20 . 1 1 23 23 SER H H 23 8.069 8.069 7.731 0.338 18096 14213 1 20 . 1 1 24 24 LEU N N 24 120.855 120.855 121.638 -0.783 18096 14214 1 20 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.033 -0.052 18096 14215 1 20 . 1 1 24 24 LEU C C 24 177.542 177.542 178.276 -0.734 18096 14216 1 20 . 1 1 24 24 LEU CA C 24 58.036 58.036 58.659 -0.623 18096 14217 1 20 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.737 0.204 18096 14218 1 20 . 1 1 24 24 LEU H H 24 7.858 7.858 7.856 0.002 18096 14219 1 20 . 1 1 25 25 ALA N N 25 119.507 119.507 121.717 -2.210 18096 14220 1 20 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.176 -0.236 18096 14221 1 20 . 1 1 25 25 ALA C C 25 177.915 177.915 180.033 -2.118 18096 14222 1 20 . 1 1 25 25 ALA CA C 25 55.612 55.612 55.031 0.581 18096 14223 1 20 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.183 0.068 18096 14224 1 20 . 1 1 25 25 ALA H H 25 8.141 8.141 7.567 0.574 18096 14225 1 20 . 1 1 26 26 ILE N N 26 115.689 115.689 118.998 -3.309 18096 14226 1 20 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.771 0.027 18096 14227 1 20 . 1 1 26 26 ILE C C 26 177.729 177.729 178.077 -0.348 18096 14228 1 20 . 1 1 26 26 ILE CA C 26 65.340 65.340 64.948 0.392 18096 14229 1 20 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.024 -0.194 18096 14230 1 20 . 1 1 26 26 ILE H H 26 8.012 8.012 7.555 0.457 18096 14231 1 20 . 1 1 27 27 LEU N N 27 118.567 118.567 120.449 -1.882 18096 14232 1 20 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.035 -0.029 18096 14233 1 20 . 1 1 27 27 LEU C C 27 178.364 178.364 179.024 -0.660 18096 14234 1 20 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.306 0.431 18096 14235 1 20 . 1 1 27 27 LEU CB C 27 41.837 41.837 42.006 -0.169 18096 14236 1 20 . 1 1 27 27 LEU H H 27 8.045 8.045 8.192 -0.147 18096 14237 1 20 . 1 1 28 28 VAL N N 28 113.720 113.720 118.491 -4.771 18096 14238 1 20 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.700 -0.125 18096 14239 1 20 . 1 1 28 28 VAL C C 28 177.809 177.809 178.048 -0.239 18096 14240 1 20 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.429 -0.416 18096 14241 1 20 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.458 0.592 18096 14242 1 20 . 1 1 28 28 VAL H H 28 8.008 8.008 7.715 0.293 18096 14243 1 20 . 1 1 29 29 PHE N N 29 115.458 115.458 117.747 -2.289 18096 14244 1 20 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.341 -0.132 18096 14245 1 20 . 1 1 29 29 PHE C C 29 176.366 176.366 177.713 -1.347 18096 14246 1 20 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.348 -0.490 18096 14247 1 20 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.428 0.169 18096 14248 1 20 . 1 1 29 29 PHE H H 29 7.915 7.915 7.733 0.182 18096 14249 1 20 . 1 1 30 30 TYR N N 30 115.649 115.649 116.272 -0.623 18096 14250 1 20 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.600 -0.359 18096 14251 1 20 . 1 1 30 30 TYR C C 30 175.388 175.388 175.298 0.090 18096 14252 1 20 . 1 1 30 30 TYR CA C 30 59.386 59.386 59.455 -0.069 18096 14253 1 20 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.145 0.495 18096 14254 1 20 . 1 1 30 30 TYR H H 30 8.002 8.002 7.674 0.328 18096 14255 1 20 . 1 1 31 31 LEU N N 31 121.144 121.144 121.195 -0.051 18096 14256 1 20 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.791 -0.343 18096 14257 1 20 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.426 1.723 18096 14258 1 20 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.867 -1.531 18096 14259 1 20 . 1 1 31 31 LEU H H 31 7.514 7.514 7.510 0.004 18096 14260 1 20 . 1 1 32 32 PRO C C 32 176.530 176.530 176.195 0.335 18096 14261 1 20 . 1 1 33 33 SER N N 33 115.448 115.448 121.436 -5.988 18096 14262 1 20 . 1 1 33 33 SER HA H 33 4.317 4.317 4.624 -0.307 18096 14263 1 20 . 1 1 33 33 SER C C 33 174.174 174.174 173.215 0.959 18096 14264 1 20 . 1 1 33 33 SER CA C 33 59.954 59.954 57.651 2.303 18096 14265 1 20 . 1 1 33 33 SER H H 33 8.370 8.370 8.160 0.210 18096 14266 1 20 . 1 1 34 34 ASP N N 34 119.694 119.694 123.578 -3.884 18096 14267 1 20 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.368 0.217 18096 14268 1 20 . 1 1 34 34 ASP C C 34 175.971 175.971 176.245 -0.274 18096 14269 1 20 . 1 1 34 34 ASP CA C 34 54.442 54.442 55.170 -0.728 18096 14270 1 20 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.044 0.196 18096 14271 1 20 . 1 1 34 34 ASP H H 34 8.209 8.209 8.729 -0.520 18096 14272 1 20 . 1 1 35 35 CYS N N 35 114.872 114.872 119.232 -4.360 18096 14273 1 20 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.575 -0.372 18096 14274 1 20 . 1 1 35 35 CYS C C 35 175.147 175.147 176.741 -1.594 18096 14275 1 20 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.860 1.261 18096 14276 1 20 . 1 1 35 35 CYS CB C 35 27.886 27.886 27.839 0.047 18096 14277 1 20 . 1 1 35 35 CYS H H 35 7.750 7.750 8.518 -0.768 18096 14278 1 20 . 1 1 36 36 GLY N N 36 110.059 110.059 108.291 1.768 18096 14279 1 20 . 1 1 36 36 GLY C C 36 174.391 174.391 175.910 -1.519 18096 14280 1 20 . 1 1 36 36 GLY CA C 36 46.287 46.287 46.366 -0.079 18096 14281 1 20 . 1 1 36 36 GLY H H 36 8.357 8.357 8.386 -0.029 18096 14282 1 20 . 1 1 37 37 GLU N N 37 121.785 121.785 120.794 0.991 18096 14283 1 20 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.047 0.019 18096 14284 1 20 . 1 1 37 37 GLU C C 37 176.536 176.536 178.364 -1.828 18096 14285 1 20 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.143 -0.617 18096 14286 1 20 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.631 0.099 18096 14287 1 20 . 1 1 37 37 GLU H H 37 8.359 8.359 8.406 -0.047 18096 14288 1 20 . 1 1 38 38 LYS N N 38 123.927 123.927 119.672 4.255 18096 14289 1 20 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.999 0.124 18096 14290 1 20 . 1 1 38 38 LYS C C 38 177.544 177.544 179.025 -1.481 18096 14291 1 20 . 1 1 38 38 LYS CA C 38 58.569 58.569 58.774 -0.205 18096 14292 1 20 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.938 -0.261 18096 14293 1 20 . 1 1 38 38 LYS H H 38 8.226 8.226 7.574 0.652 18096 14294 1 20 . 1 1 39 39 MET N N 39 117.932 117.932 117.460 0.472 18096 14295 1 20 . 1 1 39 39 MET HA H 39 4.135 4.135 4.148 -0.013 18096 14296 1 20 . 1 1 39 39 MET C C 39 178.602 178.602 178.394 0.208 18096 14297 1 20 . 1 1 39 39 MET CA C 39 58.851 58.851 59.323 -0.472 18096 14298 1 20 . 1 1 39 39 MET CB C 39 32.220 32.220 32.627 -0.407 18096 14299 1 20 . 1 1 39 39 MET H H 39 8.262 8.262 7.796 0.466 18096 14300 1 20 . 1 1 40 40 THR N N 40 117.201 117.201 116.710 0.491 18096 14301 1 20 . 1 1 40 40 THR HA H 40 3.673 3.673 4.004 -0.331 18096 14302 1 20 . 1 1 40 40 THR C C 40 175.927 175.927 176.438 -0.511 18096 14303 1 20 . 1 1 40 40 THR CA C 40 67.352 67.352 66.188 1.164 18096 14304 1 20 . 1 1 40 40 THR H H 40 8.341 8.341 7.469 0.872 18096 14305 1 20 . 1 1 41 41 LEU N N 41 120.040 120.040 123.177 -3.137 18096 14306 1 20 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.107 -0.055 18096 14307 1 20 . 1 1 41 41 LEU C C 41 177.809 177.809 177.824 -0.015 18096 14308 1 20 . 1 1 41 41 LEU CA C 41 58.387 58.387 58.085 0.302 18096 14309 1 20 . 1 1 41 41 LEU H H 41 8.181 8.181 7.608 0.573 18096 14310 1 20 . 1 1 42 42 CYS N N 42 117.556 117.556 117.724 -0.168 18096 14311 1 20 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.056 -0.104 18096 14312 1 20 . 1 1 42 42 CYS C C 42 176.460 176.460 177.143 -0.683 18096 14313 1 20 . 1 1 42 42 CYS CA C 42 64.496 64.496 64.039 0.457 18096 14314 1 20 . 1 1 42 42 CYS CB C 42 26.833 26.833 27.487 -0.654 18096 14315 1 20 . 1 1 42 42 CYS H H 42 7.949 7.949 7.590 0.359 18096 14316 1 20 . 1 1 43 43 ILE N N 43 117.336 117.336 119.144 -1.808 18096 14317 1 20 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.732 -0.103 18096 14318 1 20 . 1 1 43 43 ILE C C 43 177.256 177.256 177.767 -0.511 18096 14319 1 20 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.579 0.496 18096 14320 1 20 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.617 0.327 18096 14321 1 20 . 1 1 43 43 ILE H H 43 8.347 8.347 7.588 0.759 18096 14322 1 20 . 1 1 44 44 SER N N 44 116.243 116.243 116.784 -0.541 18096 14323 1 20 . 1 1 44 44 SER HA H 44 4.083 4.083 4.266 -0.183 18096 14324 1 20 . 1 1 44 44 SER C C 44 176.305 176.305 176.619 -0.314 18096 14325 1 20 . 1 1 44 44 SER CA C 44 63.348 63.348 61.745 1.603 18096 14326 1 20 . 1 1 44 44 SER CB C 44 62.954 62.954 63.368 -0.414 18096 14327 1 20 . 1 1 44 44 SER H H 44 8.064 8.064 7.798 0.266 18096 14328 1 20 . 1 1 45 45 VAL N N 45 120.333 120.333 122.362 -2.029 18096 14329 1 20 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.829 -0.313 18096 14330 1 20 . 1 1 45 45 VAL C C 45 177.247 177.247 177.583 -0.336 18096 14331 1 20 . 1 1 45 45 VAL CA C 45 66.938 66.938 65.909 1.028 18096 14332 1 20 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.814 -0.054 18096 14333 1 20 . 1 1 45 45 VAL H H 45 8.036 8.036 8.181 -0.145 18096 14334 1 20 . 1 1 46 46 LEU N N 46 119.430 119.430 120.766 -1.336 18096 14335 1 20 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.206 -0.258 18096 14336 1 20 . 1 1 46 46 LEU C C 46 180.032 180.032 178.328 1.704 18096 14337 1 20 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.853 0.673 18096 14338 1 20 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.684 0.301 18096 14339 1 20 . 1 1 46 46 LEU H H 46 7.959 7.959 7.489 0.470 18096 14340 1 20 . 1 1 47 47 LEU N N 47 121.110 121.110 120.936 0.174 18096 14341 1 20 . 1 1 47 47 LEU HA H 47 3.998 3.998 4.041 -0.043 18096 14342 1 20 . 1 1 47 47 LEU C C 47 177.985 177.985 178.654 -0.669 18096 14343 1 20 . 1 1 47 47 LEU CA C 47 58.439 58.439 57.738 0.701 18096 14344 1 20 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.321 0.725 18096 14345 1 20 . 1 1 47 47 LEU H H 47 8.695 8.695 7.602 1.093 18096 14346 1 20 . 1 1 48 48 ALA N N 48 121.251 121.251 121.182 0.069 18096 14347 1 20 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.878 -0.033 18096 14348 1 20 . 1 1 48 48 ALA C C 48 178.834 178.834 179.519 -0.685 18096 14349 1 20 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.044 0.666 18096 14350 1 20 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.015 0.118 18096 14351 1 20 . 1 1 48 48 ALA H H 48 8.272 8.272 7.797 0.475 18096 14352 1 20 . 1 1 49 49 LEU N N 49 116.290 116.290 119.475 -3.185 18096 14353 1 20 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.150 -0.153 18096 14354 1 20 . 1 1 49 49 LEU C C 49 178.068 178.068 178.786 -0.718 18096 14355 1 20 . 1 1 49 49 LEU CA C 49 58.308 58.308 58.276 0.032 18096 14356 1 20 . 1 1 49 49 LEU CB C 49 41.946 41.946 42.045 -0.100 18096 14357 1 20 . 1 1 49 49 LEU H H 49 8.526 8.526 7.666 0.860 18096 14358 1 20 . 1 1 50 50 THR N N 50 115.495 115.495 113.370 2.125 18096 14359 1 20 . 1 1 50 50 THR HA H 50 3.692 3.692 3.978 -0.286 18096 14360 1 20 . 1 1 50 50 THR C C 50 176.061 176.061 176.957 -0.896 18096 14361 1 20 . 1 1 50 50 THR CA C 50 68.786 68.786 65.951 2.836 18096 14362 1 20 . 1 1 50 50 THR H H 50 7.996 7.996 7.931 0.065 18096 14363 1 20 . 1 1 51 51 VAL N N 51 119.977 119.977 122.472 -2.495 18096 14364 1 20 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.518 -0.022 18096 14365 1 20 . 1 1 51 51 VAL C C 51 177.063 177.063 177.912 -0.849 18096 14366 1 20 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.464 0.899 18096 14367 1 20 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.469 0.149 18096 14368 1 20 . 1 1 51 51 VAL H H 51 8.145 8.145 7.668 0.477 18096 14369 1 20 . 1 1 52 52 PHE N N 52 118.836 118.836 118.681 0.155 18096 14370 1 20 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.160 -0.058 18096 14371 1 20 . 1 1 52 52 PHE C C 52 176.721 176.721 177.874 -1.153 18096 14372 1 20 . 1 1 52 52 PHE CA C 52 61.639 61.639 62.285 -0.646 18096 14373 1 20 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.299 1.030 18096 14374 1 20 . 1 1 52 52 PHE H H 52 8.354 8.354 8.069 0.285 18096 14375 1 20 . 1 1 53 53 LEU N N 53 117.271 117.271 119.989 -2.718 18096 14376 1 20 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.902 -0.030 18096 14377 1 20 . 1 1 53 53 LEU C C 53 179.184 179.184 178.890 0.294 18096 14378 1 20 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.382 -0.525 18096 14379 1 20 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.950 0.045 18096 14380 1 20 . 1 1 53 53 LEU H H 53 8.438 8.438 7.705 0.733 18096 14381 1 20 . 1 1 54 54 LEU N N 54 119.310 119.310 118.819 0.491 18096 14382 1 20 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.901 0.106 18096 14383 1 20 . 1 1 54 54 LEU C C 54 179.224 179.224 179.084 0.140 18096 14384 1 20 . 1 1 54 54 LEU CA C 54 58.088 58.088 58.349 -0.261 18096 14385 1 20 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.784 0.245 18096 14386 1 20 . 1 1 54 54 LEU H H 54 8.147 8.147 7.593 0.554 18096 14387 1 20 . 1 1 55 55 LEU N N 55 118.400 118.400 119.988 -1.588 18096 14388 1 20 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.923 0.177 18096 14389 1 20 . 1 1 55 55 LEU C C 55 178.974 178.974 179.200 -0.226 18096 14390 1 20 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.317 -0.456 18096 14391 1 20 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.140 -0.168 18096 14392 1 20 . 1 1 55 55 LEU H H 55 8.096 8.096 7.816 0.280 18096 14393 1 20 . 1 1 56 56 ILE N N 56 115.919 115.919 116.549 -0.630 18096 14394 1 20 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.943 -0.087 18096 14395 1 20 . 1 1 56 56 ILE C C 56 176.763 176.763 178.336 -1.573 18096 14396 1 20 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.751 -0.240 18096 14397 1 20 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.527 0.162 18096 14398 1 20 . 1 1 56 56 ILE H H 56 8.028 8.028 7.798 0.230 18096 14399 1 20 . 1 1 57 57 SER N N 57 114.862 114.862 115.777 -0.915 18096 14400 1 20 . 1 1 57 57 SER HA H 57 4.178 4.178 4.182 -0.004 18096 14401 1 20 . 1 1 57 57 SER C C 57 175.258 175.258 176.187 -0.929 18096 14402 1 20 . 1 1 57 57 SER CA C 57 60.946 60.946 61.431 -0.485 18096 14403 1 20 . 1 1 57 57 SER CB C 57 63.558 63.558 63.071 0.487 18096 14404 1 20 . 1 1 57 57 SER H H 57 7.689 7.689 8.441 -0.752 18096 14405 1 20 . 1 1 58 58 LYS N N 58 118.080 118.080 117.724 0.356 18096 14406 1 20 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.439 -0.152 18096 14407 1 20 . 1 1 58 58 LYS C C 58 176.668 176.668 177.574 -0.906 18096 14408 1 20 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.319 -1.212 18096 14409 1 20 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.170 -1.106 18096 14410 1 20 . 1 1 58 58 LYS H H 58 7.595 7.595 7.550 0.045 18096 14411 1 20 . 1 1 59 59 ILE N N 59 116.926 116.926 122.573 -5.647 18096 14412 1 20 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.327 -0.293 18096 14413 1 20 . 1 1 59 59 ILE C C 59 175.226 175.226 175.336 -0.110 18096 14414 1 20 . 1 1 59 59 ILE CA C 59 62.384 62.384 58.484 3.900 18096 14415 1 20 . 1 1 59 59 ILE CB C 59 38.073 38.073 36.622 1.451 18096 14416 1 20 . 1 1 59 59 ILE H H 59 7.706 7.706 7.505 0.201 18096 14417 1 20 . 1 1 60 60 VAL N N 60 119.235 119.235 121.558 -2.323 18096 14418 1 20 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.056 0.270 18096 14419 1 20 . 1 1 60 60 VAL CA C 60 59.747 59.747 60.096 -0.348 18096 14420 1 20 . 1 1 60 60 VAL CB C 60 32.266 32.266 30.546 1.720 18096 14421 1 20 . 1 1 60 60 VAL H H 60 7.586 7.586 7.641 -0.055 18096 14422 1 20 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.593 0.051 18096 14423 1 20 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.323 0.198 18096 14424 1 20 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.111 0.025 18096 14425 1 20 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.390 0.101 18096 14426 1 20 . 1 1 62 62 PRO C C 62 176.912 176.912 176.549 0.363 18096 14427 1 20 . 1 1 62 62 PRO CA C 62 63.243 63.243 63.984 -0.741 18096 14428 1 20 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.987 -0.109 18096 14429 1 20 . 1 1 63 63 THR N N 63 111.607 111.607 113.209 -1.602 18096 14430 1 20 . 1 1 63 63 THR HA H 63 4.447 4.447 4.446 0.001 18096 14431 1 20 . 1 1 63 63 THR C C 63 174.725 174.725 173.162 1.563 18096 14432 1 20 . 1 1 63 63 THR CA C 63 61.245 61.245 62.038 -0.792 18096 14433 1 20 . 1 1 63 63 THR CB C 63 69.807 69.807 69.237 0.570 18096 14434 1 20 . 1 1 63 63 THR H H 63 7.915 7.915 7.684 0.231 18096 14435 1 20 . 1 1 64 64 SER N N 64 116.516 116.516 122.539 -6.023 18096 14436 1 20 . 1 1 64 64 SER HA H 64 4.411 4.411 4.774 -0.363 18096 14437 1 20 . 1 1 64 64 SER C C 64 174.580 174.580 175.315 -0.735 18096 14438 1 20 . 1 1 64 64 SER CA C 64 58.608 58.608 57.675 0.933 18096 14439 1 20 . 1 1 64 64 SER CB C 64 63.742 63.742 63.729 0.013 18096 14440 1 20 . 1 1 64 64 SER H H 64 8.127 8.127 8.639 -0.512 18096 14441 1 20 . 1 1 65 65 SER N N 65 116.921 116.921 117.708 -0.787 18096 14442 1 20 . 1 1 65 65 SER HA H 65 4.453 4.453 4.399 0.054 18096 14443 1 20 . 1 1 65 65 SER C C 65 174.100 174.100 174.759 -0.659 18096 14444 1 20 . 1 1 65 65 SER CA C 65 58.584 58.584 59.916 -1.332 18096 14445 1 20 . 1 1 65 65 SER CB C 65 63.668 63.668 63.612 0.056 18096 14446 1 20 . 1 1 65 65 SER H H 65 8.169 8.169 8.200 -0.031 18096 14447 1 20 . 1 1 66 66 ASP N N 66 120.478 120.478 121.165 -0.687 18096 14448 1 20 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.676 -0.052 18096 14449 1 20 . 1 1 66 66 ASP C C 66 175.730 175.730 174.614 1.116 18096 14450 1 20 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.515 -0.270 18096 14451 1 20 . 1 1 66 66 ASP CB C 66 41.195 41.195 42.009 -0.814 18096 14452 1 20 . 1 1 66 66 ASP H H 66 8.154 8.154 7.877 0.277 18096 14453 1 20 . 1 1 67 67 SER N N 67 115.159 115.159 118.519 -3.360 18096 14454 1 20 . 1 1 67 67 SER HA H 67 4.528 4.528 4.255 0.273 18096 14455 1 20 . 1 1 67 67 SER CA C 67 56.493 56.493 58.414 -1.921 18096 14456 1 20 . 1 1 67 67 SER CB C 67 63.604 63.604 62.515 1.089 18096 14457 1 20 . 1 1 67 67 SER H H 67 7.930 7.930 8.514 -0.584 18096 14458 1 20 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.592 -0.197 18096 14459 1 20 . 1 1 68 68 PRO C C 68 176.652 176.652 176.768 -0.116 18096 14460 1 20 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.337 1.256 18096 14461 1 20 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.704 -1.352 18096 14462 1 20 . 1 1 69 69 SER N N 69 115.859 115.859 113.456 2.403 18096 14463 1 20 . 1 1 69 69 SER HA H 69 4.436 4.436 4.089 0.347 18096 14464 1 20 . 1 1 69 69 SER C C 69 174.611 174.611 175.948 -1.337 18096 14465 1 20 . 1 1 69 69 SER CA C 69 58.264 58.264 59.422 -1.159 18096 14466 1 20 . 1 1 69 69 SER CB C 69 63.919 63.919 64.124 -0.205 18096 14467 1 20 . 1 1 69 69 SER H H 69 8.256 8.256 8.454 -0.198 18096 14468 1 20 . 1 1 70 70 VAL N N 70 117.241 117.241 118.689 -1.448 18096 14469 1 20 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.030 -0.228 18096 14470 1 20 . 1 1 70 70 VAL C C 70 177.772 177.772 177.353 0.419 18096 14471 1 20 . 1 1 70 70 VAL CA C 70 66.644 66.644 64.959 1.685 18096 14472 1 20 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.427 0.469 18096 14473 1 20 . 1 1 70 70 VAL H H 70 8.211 8.211 8.085 0.126 18096 14474 1 20 . 1 1 71 71 GLY N N 71 106.999 106.999 108.047 -1.048 18096 14475 1 20 . 1 1 71 71 GLY C C 71 175.551 175.551 175.937 -0.386 18096 14476 1 20 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.811 0.434 18096 14477 1 20 . 1 1 71 71 GLY H H 71 8.566 8.566 8.259 0.307 18096 14478 1 20 . 1 1 72 72 GLU N N 72 121.376 121.376 122.170 -0.794 18096 14479 1 20 . 1 1 72 72 GLU HA H 72 3.889 3.889 4.099 -0.210 18096 14480 1 20 . 1 1 72 72 GLU C C 72 178.495 178.495 179.052 -0.557 18096 14481 1 20 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.226 0.892 18096 14482 1 20 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.101 0.489 18096 14483 1 20 . 1 1 72 72 GLU H H 72 7.919 7.919 8.184 -0.265 18096 14484 1 20 . 1 1 73 73 TYR N N 73 117.643 117.643 118.474 -0.831 18096 14485 1 20 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.178 -0.116 18096 14486 1 20 . 1 1 73 73 TYR C C 73 179.921 179.921 178.620 1.301 18096 14487 1 20 . 1 1 73 73 TYR CA C 73 62.130 62.130 59.711 2.419 18096 14488 1 20 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.433 1.484 18096 14489 1 20 . 1 1 73 73 TYR H H 73 8.095 8.095 7.321 0.774 18096 14490 1 20 . 1 1 74 74 LEU N N 74 121.712 121.712 119.272 2.440 18096 14491 1 20 . 1 1 74 74 LEU HA H 74 4.063 4.063 3.875 0.188 18096 14492 1 20 . 1 1 74 74 LEU C C 74 178.385 178.385 179.009 -0.624 18096 14493 1 20 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.570 0.904 18096 14494 1 20 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.713 0.225 18096 14495 1 20 . 1 1 74 74 LEU H H 74 8.615 8.615 7.531 1.084 18096 14496 1 20 . 1 1 75 75 MET N N 75 119.087 119.087 119.097 -0.010 18096 14497 1 20 . 1 1 75 75 MET HA H 75 4.056 4.056 4.071 -0.015 18096 14498 1 20 . 1 1 75 75 MET C C 75 177.851 177.851 178.289 -0.438 18096 14499 1 20 . 1 1 75 75 MET CA C 75 59.166 59.166 58.743 0.423 18096 14500 1 20 . 1 1 75 75 MET CB C 75 32.093 32.093 32.297 -0.204 18096 14501 1 20 . 1 1 75 75 MET H H 75 8.362 8.362 7.735 0.627 18096 14502 1 20 . 1 1 76 76 PHE N N 76 117.788 117.788 117.951 -0.163 18096 14503 1 20 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.231 -0.126 18096 14504 1 20 . 1 1 76 76 PHE C C 76 177.305 177.305 177.298 0.007 18096 14505 1 20 . 1 1 76 76 PHE CA C 76 61.376 61.376 62.271 -0.895 18096 14506 1 20 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.663 0.298 18096 14507 1 20 . 1 1 76 76 PHE H H 76 8.471 8.471 7.951 0.520 18096 14508 1 20 . 1 1 77 77 THR N N 77 115.298 115.298 115.319 -0.021 18096 14509 1 20 . 1 1 77 77 THR HA H 77 3.673 3.673 4.004 -0.331 18096 14510 1 20 . 1 1 77 77 THR C C 77 176.057 176.057 176.289 -0.232 18096 14511 1 20 . 1 1 77 77 THR CA C 77 68.423 68.423 67.273 1.150 18096 14512 1 20 . 1 1 77 77 THR CB C 77 68.204 68.204 68.830 -0.626 18096 14513 1 20 . 1 1 77 77 THR H H 77 8.179 8.179 7.360 0.819 18096 14514 1 20 . 1 1 78 78 MET N N 78 119.204 119.204 121.076 -1.872 18096 14515 1 20 . 1 1 78 78 MET HA H 78 4.092 4.092 4.136 -0.044 18096 14516 1 20 . 1 1 78 78 MET C C 78 179.421 179.421 178.135 1.286 18096 14517 1 20 . 1 1 78 78 MET CA C 78 58.810 58.810 59.740 -0.930 18096 14518 1 20 . 1 1 78 78 MET CB C 78 32.176 32.176 31.764 0.412 18096 14519 1 20 . 1 1 78 78 MET H H 78 8.310 8.310 7.993 0.317 18096 14520 1 20 . 1 1 79 79 VAL N N 79 122.115 122.115 119.483 2.632 18096 14521 1 20 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.716 -0.224 18096 14522 1 20 . 1 1 79 79 VAL C C 79 176.866 176.866 177.966 -1.100 18096 14523 1 20 . 1 1 79 79 VAL CA C 79 67.374 67.374 65.554 1.820 18096 14524 1 20 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.785 -0.170 18096 14525 1 20 . 1 1 79 79 VAL H H 79 8.239 8.239 7.525 0.714 18096 14526 1 20 . 1 1 80 80 LEU N N 80 120.240 120.240 120.508 -0.268 18096 14527 1 20 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.062 -0.123 18096 14528 1 20 . 1 1 80 80 LEU C C 80 180.078 180.078 179.449 0.629 18096 14529 1 20 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.024 0.573 18096 14530 1 20 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.058 0.883 18096 14531 1 20 . 1 1 80 80 LEU H H 80 8.058 8.058 7.393 0.665 18096 14532 1 20 . 1 1 81 81 VAL N N 81 120.008 120.008 119.008 1.000 18096 14533 1 20 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.663 -0.205 18096 14534 1 20 . 1 1 81 81 VAL C C 81 177.670 177.670 178.150 -0.480 18096 14535 1 20 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.308 0.029 18096 14536 1 20 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.849 -0.234 18096 14537 1 20 . 1 1 81 81 VAL H H 81 8.800 8.800 8.599 0.201 18096 14538 1 20 . 1 1 82 82 THR N N 82 116.872 116.872 117.313 -0.441 18096 14539 1 20 . 1 1 82 82 THR HA H 82 3.676 3.676 3.924 -0.248 18096 14540 1 20 . 1 1 82 82 THR C C 82 176.268 176.268 176.775 -0.507 18096 14541 1 20 . 1 1 82 82 THR CA C 82 68.590 68.590 67.289 1.301 18096 14542 1 20 . 1 1 82 82 THR CB C 82 68.468 68.468 68.562 -0.094 18096 14543 1 20 . 1 1 82 82 THR H H 82 8.109 8.109 8.158 -0.049 18096 14544 1 20 . 1 1 83 83 PHE N N 83 119.777 119.777 120.666 -0.889 18096 14545 1 20 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.362 -0.281 18096 14546 1 20 . 1 1 83 83 PHE C C 83 178.015 178.015 177.693 0.322 18096 14547 1 20 . 1 1 83 83 PHE CA C 83 61.612 61.612 62.107 -0.495 18096 14548 1 20 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.984 -0.298 18096 14549 1 20 . 1 1 83 83 PHE H H 83 8.754 8.754 7.882 0.872 18096 14550 1 20 . 1 1 84 84 SER N N 84 117.769 117.769 115.111 2.658 18096 14551 1 20 . 1 1 84 84 SER HA H 84 4.091 4.091 4.299 -0.208 18096 14552 1 20 . 1 1 84 84 SER C C 84 175.899 175.899 176.561 -0.662 18096 14553 1 20 . 1 1 84 84 SER CA C 84 63.269 63.269 62.821 0.448 18096 14554 1 20 . 1 1 84 84 SER CB C 84 62.962 62.962 63.252 -0.290 18096 14555 1 20 . 1 1 84 84 SER H H 84 8.335 8.335 7.888 0.447 18096 14556 1 20 . 1 1 85 85 ILE N N 85 122.986 122.986 122.184 0.802 18096 14557 1 20 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.752 -0.103 18096 14558 1 20 . 1 1 85 85 ILE C C 85 177.778 177.778 177.804 -0.026 18096 14559 1 20 . 1 1 85 85 ILE CA C 85 65.504 65.504 64.642 0.861 18096 14560 1 20 . 1 1 85 85 ILE CB C 85 38.115 38.115 37.216 0.899 18096 14561 1 20 . 1 1 85 85 ILE H H 85 8.187 8.187 8.027 0.160 18096 14562 1 20 . 1 1 86 86 VAL N N 86 117.289 117.289 119.200 -1.911 18096 14563 1 20 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.539 -0.030 18096 14564 1 20 . 1 1 86 86 VAL C C 86 177.816 177.816 178.130 -0.314 18096 14565 1 20 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.015 0.032 18096 14566 1 20 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.558 0.039 18096 14567 1 20 . 1 1 86 86 VAL H H 86 8.367 8.367 7.660 0.707 18096 14568 1 20 . 1 1 87 87 THR N N 87 116.788 116.788 115.942 0.846 18096 14569 1 20 . 1 1 87 87 THR HA H 87 3.758 3.758 3.924 -0.166 18096 14570 1 20 . 1 1 87 87 THR C C 87 176.095 176.095 176.787 -0.692 18096 14571 1 20 . 1 1 87 87 THR CA C 87 67.248 67.248 66.842 0.406 18096 14572 1 20 . 1 1 87 87 THR H H 87 8.007 8.007 7.651 0.356 18096 14573 1 20 . 1 1 88 88 SER N N 88 116.157 116.157 117.631 -1.474 18096 14574 1 20 . 1 1 88 88 SER HA H 88 4.018 4.018 4.172 -0.154 18096 14575 1 20 . 1 1 88 88 SER C C 88 174.932 174.932 176.602 -1.670 18096 14576 1 20 . 1 1 88 88 SER CA C 88 62.717 62.717 62.168 0.549 18096 14577 1 20 . 1 1 88 88 SER CB C 88 62.954 62.954 62.840 0.113 18096 14578 1 20 . 1 1 88 88 SER H H 88 7.662 7.662 8.160 -0.498 18096 14579 1 20 . 1 1 89 89 VAL N N 89 117.956 117.956 120.654 -2.698 18096 14580 1 20 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.844 -0.328 18096 14581 1 20 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.821 1.445 18096 14582 1 20 . 1 1 89 89 VAL H H 89 8.274 8.274 7.684 0.590 18096 14583 1 20 . 1 1 90 90 CYS N N 90 116.319 116.319 119.878 -3.559 18096 14584 1 20 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.201 0.028 18096 14585 1 20 . 1 1 90 90 CYS C C 90 175.174 175.174 177.023 -1.849 18096 14586 1 20 . 1 1 90 90 CYS CA C 90 62.618 62.618 63.057 -0.439 18096 14587 1 20 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.296 -0.505 18096 14588 1 20 . 1 1 90 90 CYS H H 90 7.654 7.654 7.595 0.059 18096 14589 1 20 . 1 1 91 91 VAL N N 91 115.534 115.534 118.506 -2.972 18096 14590 1 20 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.789 -0.163 18096 14591 1 20 . 1 1 91 91 VAL C C 91 176.038 176.038 177.226 -1.188 18096 14592 1 20 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.499 -1.891 18096 14593 1 20 . 1 1 91 91 VAL CB C 91 31.922 31.922 32.246 -0.324 18096 14594 1 20 . 1 1 91 91 VAL H H 91 7.760 7.760 7.809 -0.049 18096 14595 1 20 . 1 1 92 92 LEU N N 92 119.713 119.713 118.732 0.981 18096 14596 1 20 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.056 0.184 18096 14597 1 20 . 1 1 92 92 LEU C C 92 176.769 176.769 176.590 0.179 18096 14598 1 20 . 1 1 92 92 LEU CA C 92 55.590 55.590 56.976 -1.386 18096 14599 1 20 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.865 -0.933 18096 14600 1 20 . 1 1 92 92 LEU H H 92 7.732 7.732 7.565 0.167 18096 14601 1 20 . 1 1 93 93 ASN N N 93 117.817 117.817 115.461 2.356 18096 14602 1 20 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.823 -0.147 18096 14603 1 20 . 1 1 93 93 ASN C C 93 174.955 174.955 173.186 1.769 18096 14604 1 20 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.626 0.629 18096 14605 1 20 . 1 1 93 93 ASN CB C 93 39.508 39.508 41.064 -1.556 18096 14606 1 20 . 1 1 93 93 ASN H H 93 7.916 7.916 8.260 -0.344 18096 14607 1 20 . 1 1 94 94 VAL N N 94 118.650 118.650 121.488 -2.838 18096 14608 1 20 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.373 -0.349 18096 14609 1 20 . 1 1 94 94 VAL C C 94 175.740 175.740 173.665 2.075 18096 14610 1 20 . 1 1 94 94 VAL CA C 94 62.532 62.532 62.856 -0.324 18096 14611 1 20 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.714 -1.082 18096 14612 1 20 . 1 1 94 94 VAL H H 94 7.730 7.730 8.373 -0.643 18096 14613 1 20 . 1 1 95 95 HIS N N 95 121.293 121.293 124.390 -3.097 18096 14614 1 20 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.763 -0.144 18096 14615 1 20 . 1 1 95 95 HIS C C 95 174.146 174.146 174.280 -0.134 18096 14616 1 20 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.738 -0.156 18096 14617 1 20 . 1 1 95 95 HIS CB C 95 29.755 29.755 31.382 -1.627 18096 14618 1 20 . 1 1 95 95 HIS H H 95 8.341 8.341 8.347 -0.006 18096 14619 1 20 . 1 1 96 96 HIS N N 96 122.728 122.728 118.666 4.062 18096 14620 1 20 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.458 0.177 18096 14621 1 20 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.787 -1.205 18096 14622 1 20 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.282 -0.509 18096 14623 1 20 . 1 1 96 96 HIS H H 96 8.333 8.333 8.431 -0.098 18096 14624 1 20 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.519 -0.224 18096 14625 1 20 . 1 1 97 97 ARG C C 97 175.776 175.776 174.722 1.054 18096 14626 1 20 . 1 1 97 97 ARG CA C 97 56.230 56.230 55.492 0.738 18096 14627 1 20 . 1 1 97 97 ARG CB C 97 31.030 31.030 32.300 -1.270 18096 14628 1 20 . 1 1 98 98 SER N N 98 118.439 118.439 118.075 0.364 18096 14629 1 20 . 1 1 98 98 SER HA H 98 4.736 4.736 4.593 0.143 18096 14630 1 20 . 1 1 98 98 SER CA C 98 56.614 56.614 56.973 -0.359 18096 14631 1 20 . 1 1 98 98 SER CB C 98 63.622 63.622 63.814 -0.192 18096 14632 1 20 . 1 1 98 98 SER H H 98 8.250 8.250 8.593 -0.343 18096 14633 1 20 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.398 -0.004 18096 14634 1 20 . 1 1 99 99 PRO C C 99 176.879 176.879 176.826 0.053 18096 14635 1 20 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.020 -0.323 18096 14636 1 20 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.135 -0.089 18096 14637 1 20 . 1 1 100 100 GLU N N 100 120.297 120.297 118.384 1.913 18096 14638 1 20 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.534 -0.235 18096 14639 1 20 . 1 1 100 100 GLU C C 100 176.576 176.576 175.932 0.644 18096 14640 1 20 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.621 0.846 18096 14641 1 20 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.187 -1.243 18096 14642 1 20 . 1 1 100 100 GLU H H 100 8.391 8.391 7.985 0.406 18096 14643 1 20 . 1 1 101 101 THR N N 101 114.144 114.144 112.215 1.929 18096 14644 1 20 . 1 1 101 101 THR HA H 101 4.280 4.280 4.585 -0.305 18096 14645 1 20 . 1 1 101 101 THR C C 101 174.515 174.515 174.178 0.337 18096 14646 1 20 . 1 1 101 101 THR CA C 101 61.975 61.975 61.590 0.385 18096 14647 1 20 . 1 1 101 101 THR CB C 101 69.817 69.817 69.384 0.433 18096 14648 1 20 . 1 1 101 101 THR H H 101 7.946 7.946 8.449 -0.503 18096 14649 1 20 . 1 1 102 102 HIS N N 102 120.429 120.429 120.656 -0.227 18096 14650 1 20 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.545 0.205 18096 14651 1 20 . 1 1 102 102 HIS C C 102 174.764 174.764 175.672 -0.908 18096 14652 1 20 . 1 1 102 102 HIS CA C 102 55.685 55.685 57.379 -1.694 18096 14653 1 20 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.605 -1.360 18096 14654 1 20 . 1 1 102 102 HIS H H 102 8.459 8.459 8.032 0.427 18096 14655 1 20 . 1 1 103 103 THR N N 103 114.319 114.319 115.250 -0.931 18096 14656 1 20 . 1 1 103 103 THR HA H 103 4.345 4.345 4.408 -0.063 18096 14657 1 20 . 1 1 103 103 THR C C 103 175.087 175.087 174.506 0.581 18096 14658 1 20 . 1 1 103 103 THR CA C 103 61.976 61.976 62.984 -1.008 18096 14659 1 20 . 1 1 103 103 THR CB C 103 69.831 69.831 69.305 0.526 18096 14660 1 20 . 1 1 103 103 THR H H 103 8.068 8.068 7.903 0.165 18096 14661 1 20 . 1 1 104 104 GLY N N 104 111.143 111.143 111.400 -0.257 18096 14662 1 20 . 1 1 104 104 GLY C C 104 174.757 174.757 173.386 1.371 18096 14663 1 20 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.519 1.083 18096 14664 1 20 . 1 1 104 104 GLY H H 104 8.389 8.389 8.224 0.165 18096 14665 1 20 . 1 1 105 105 GLY N N 105 108.642 108.642 108.075 0.567 18096 14666 1 20 . 1 1 105 105 GLY C C 105 174.892 174.892 174.780 0.112 18096 14667 1 20 . 1 1 105 105 GLY CA C 105 45.602 45.602 44.748 0.854 18096 14668 1 20 . 1 1 105 105 GLY H H 105 8.272 8.272 8.271 0.001 18096 14669 1 20 . 1 1 106 106 GLY N N 106 108.820 108.820 111.956 -3.136 18096 14670 1 20 . 1 1 106 106 GLY C C 106 174.886 174.886 174.966 -0.080 18096 14671 1 20 . 1 1 106 106 GLY CA C 106 45.602 45.602 45.323 0.279 18096 14672 1 20 . 1 1 106 106 GLY H H 106 8.359 8.359 8.363 -0.004 18096 14673 1 20 . 1 1 107 107 GLY N N 107 108.550 108.550 111.352 -2.802 18096 14674 1 20 . 1 1 107 107 GLY C C 107 174.886 174.886 174.591 0.295 18096 14675 1 20 . 1 1 107 107 GLY CA C 107 45.602 45.602 45.175 0.428 18096 14676 1 20 . 1 1 107 107 GLY H H 107 8.338 8.338 8.177 0.161 18096 14677 1 20 . 1 1 108 108 GLY N N 108 108.519 108.519 108.830 -0.311 18096 14678 1 20 . 1 1 108 108 GLY C C 108 175.411 175.411 174.806 0.605 18096 14679 1 20 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.642 1.165 18096 14680 1 20 . 1 1 108 108 GLY H H 108 8.336 8.336 8.375 -0.039 18096 14681 1 20 . 1 1 109 109 ILE N N 109 120.914 120.914 121.595 -0.681 18096 14682 1 20 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.810 0.166 18096 14683 1 20 . 1 1 109 109 ILE C C 109 176.019 176.019 175.911 0.108 18096 14684 1 20 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.202 -1.275 18096 14685 1 20 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.955 0.118 18096 14686 1 20 . 1 1 109 109 ILE H H 109 8.233 8.233 7.920 0.313 18096 14687 1 20 . 1 1 110 110 ASP N N 110 121.149 121.149 120.094 1.055 18096 14688 1 20 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.235 0.017 18096 14689 1 20 . 1 1 110 110 ASP C C 110 177.648 177.648 178.602 -0.954 18096 14690 1 20 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.942 -1.141 18096 14691 1 20 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.107 0.074 18096 14692 1 20 . 1 1 110 110 ASP H H 110 8.369 8.369 8.680 -0.311 18096 14693 1 20 . 1 1 111 111 ARG N N 111 119.198 119.198 120.204 -1.006 18096 14694 1 20 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.186 -0.197 18096 14695 1 20 . 1 1 111 111 ARG C C 111 177.502 177.502 178.901 -1.399 18096 14696 1 20 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.501 0.220 18096 14697 1 20 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.968 0.135 18096 14698 1 20 . 1 1 111 111 ARG H H 111 7.835 7.835 7.605 0.230 18096 14699 1 20 . 1 1 112 112 LEU N N 112 118.935 118.935 120.907 -1.972 18096 14700 1 20 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.043 -0.040 18096 14701 1 20 . 1 1 112 112 LEU C C 112 178.356 178.356 178.511 -0.155 18096 14702 1 20 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.074 0.161 18096 14703 1 20 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.977 -0.234 18096 14704 1 20 . 1 1 112 112 LEU H H 112 7.783 7.783 7.619 0.164 18096 14705 1 20 . 1 1 113 113 PHE N N 113 116.117 116.117 119.946 -3.829 18096 14706 1 20 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.108 -0.024 18096 14707 1 20 . 1 1 113 113 PHE C C 113 177.092 177.092 177.328 -0.236 18096 14708 1 20 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.483 0.909 18096 14709 1 20 . 1 1 113 113 PHE CB C 113 38.891 38.891 39.032 -0.142 18096 14710 1 20 . 1 1 113 113 PHE H H 113 8.072 8.072 8.072 -0.000 18096 14711 1 20 . 1 1 114 114 LEU N N 114 118.710 118.710 119.653 -0.943 18096 14712 1 20 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.641 0.360 18096 14713 1 20 . 1 1 114 114 LEU C C 114 178.210 178.210 178.349 -0.139 18096 14714 1 20 . 1 1 114 114 LEU CA C 114 58.509 58.509 59.102 -0.593 18096 14715 1 20 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.684 0.100 18096 14716 1 20 . 1 1 114 114 LEU H H 114 7.881 7.881 7.970 -0.089 18096 14717 1 20 . 1 1 115 115 TRP N N 115 117.801 117.801 121.164 -3.363 18096 14718 1 20 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.222 0.060 18096 14719 1 20 . 1 1 115 115 TRP C C 115 178.536 178.536 178.432 0.104 18096 14720 1 20 . 1 1 115 115 TRP CA C 115 60.744 60.744 62.016 -1.272 18096 14721 1 20 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.482 -0.357 18096 14722 1 20 . 1 1 115 115 TRP H H 115 7.925 7.925 8.223 -0.298 18096 14723 1 20 . 1 1 116 116 ILE N N 116 118.212 118.212 116.275 1.937 18096 14724 1 20 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.536 0.158 18096 14725 1 20 . 1 1 116 116 ILE C C 116 177.423 177.423 177.970 -0.547 18096 14726 1 20 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.817 1.171 18096 14727 1 20 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.390 0.761 18096 14728 1 20 . 1 1 116 116 ILE H H 116 8.355 8.355 7.977 0.378 18096 14729 1 20 . 1 1 117 117 PHE N N 117 119.509 119.509 120.238 -0.729 18096 14730 1 20 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.150 -0.056 18096 14731 1 20 . 1 1 117 117 PHE C C 117 177.389 177.389 177.389 0.000 18096 14732 1 20 . 1 1 117 117 PHE CA C 117 61.945 61.945 61.174 0.771 18096 14733 1 20 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.910 0.029 18096 14734 1 20 . 1 1 117 117 PHE H H 117 8.419 8.419 7.372 1.047 18096 14735 1 20 . 1 1 118 118 VAL N N 118 118.927 118.927 119.955 -1.028 18096 14736 1 20 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.522 -0.012 18096 14737 1 20 . 1 1 118 118 VAL C C 118 177.452 177.452 177.339 0.113 18096 14738 1 20 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.609 0.831 18096 14739 1 20 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.778 -0.316 18096 14740 1 20 . 1 1 118 118 VAL H H 118 8.509 8.509 8.108 0.401 18096 14741 1 20 . 1 1 119 119 PHE N N 119 118.638 118.638 120.805 -2.167 18096 14742 1 20 . 1 1 119 119 PHE HA H 119 4.040 4.040 3.958 0.082 18096 14743 1 20 . 1 1 119 119 PHE C C 119 177.403 177.403 176.884 0.519 18096 14744 1 20 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.643 0.960 18096 14745 1 20 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.812 0.333 18096 14746 1 20 . 1 1 119 119 PHE H H 119 8.477 8.477 8.295 0.182 18096 14747 1 20 . 1 1 120 120 VAL N N 120 118.660 118.660 119.043 -0.383 18096 14748 1 20 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.545 -0.078 18096 14749 1 20 . 1 1 120 120 VAL C C 120 177.851 177.851 176.781 1.070 18096 14750 1 20 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.508 1.928 18096 14751 1 20 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.619 0.040 18096 14752 1 20 . 1 1 120 120 VAL H H 120 8.705 8.705 7.611 1.094 18096 14753 1 20 . 1 1 121 121 CYS N N 121 117.055 117.055 116.973 0.082 18096 14754 1 20 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.094 -0.192 18096 14755 1 20 . 1 1 121 121 CYS C C 121 177.629 177.629 176.184 1.445 18096 14756 1 20 . 1 1 121 121 CYS CA C 121 64.339 64.339 61.492 2.847 18096 14757 1 20 . 1 1 121 121 CYS CB C 121 26.789 26.789 25.570 1.219 18096 14758 1 20 . 1 1 121 121 CYS H H 121 7.981 7.981 7.384 0.597 18096 14759 1 20 . 1 1 122 122 VAL N N 122 120.422 120.422 120.761 -0.339 18096 14760 1 20 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.717 -0.238 18096 14761 1 20 . 1 1 122 122 VAL C C 122 176.923 176.923 177.564 -0.641 18096 14762 1 20 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.284 0.977 18096 14763 1 20 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.465 0.661 18096 14764 1 20 . 1 1 122 122 VAL H H 122 8.487 8.487 7.471 1.016 18096 14765 1 20 . 1 1 123 123 PHE N N 123 117.927 117.927 119.519 -1.592 18096 14766 1 20 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.021 0.013 18096 14767 1 20 . 1 1 123 123 PHE C C 123 178.151 178.151 177.353 0.798 18096 14768 1 20 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.266 0.829 18096 14769 1 20 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.540 0.097 18096 14770 1 20 . 1 1 123 123 PHE H H 123 8.630 8.630 8.086 0.544 18096 14771 1 20 . 1 1 124 124 GLY N N 124 106.539 106.539 105.980 0.559 18096 14772 1 20 . 1 1 124 124 GLY C C 124 174.290 174.290 175.474 -1.184 18096 14773 1 20 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.090 0.461 18096 14774 1 20 . 1 1 124 124 GLY H H 124 8.689 8.689 7.695 0.994 18096 14775 1 20 . 1 1 125 125 THR N N 125 117.059 117.059 119.114 -2.055 18096 14776 1 20 . 1 1 125 125 THR HA H 125 3.649 3.649 3.939 -0.290 18096 14777 1 20 . 1 1 125 125 THR C C 125 176.231 176.231 176.499 -0.268 18096 14778 1 20 . 1 1 125 125 THR CA C 125 67.989 67.989 66.632 1.357 18096 14779 1 20 . 1 1 125 125 THR H H 125 7.553 7.553 7.348 0.205 18096 14780 1 20 . 1 1 126 126 ILE N N 126 119.538 119.538 119.578 -0.040 18096 14781 1 20 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.768 -0.120 18096 14782 1 20 . 1 1 126 126 ILE C C 126 177.976 177.976 177.750 0.226 18096 14783 1 20 . 1 1 126 126 ILE CA C 126 65.715 65.715 64.585 1.130 18096 14784 1 20 . 1 1 126 126 ILE CB C 126 37.830 37.830 37.367 0.463 18096 14785 1 20 . 1 1 126 126 ILE H H 126 8.003 8.003 8.049 -0.046 18096 14786 1 20 . 1 1 127 127 GLY N N 127 105.404 105.404 108.853 -3.449 18096 14787 1 20 . 1 1 127 127 GLY C C 127 174.597 174.597 175.332 -0.735 18096 14788 1 20 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.622 0.947 18096 14789 1 20 . 1 1 127 127 GLY H H 127 8.438 8.438 7.203 1.235 18096 14790 1 20 . 1 1 128 128 MET N N 128 117.893 117.893 117.595 0.298 18096 14791 1 20 . 1 1 128 128 MET HA H 128 4.153 4.153 4.305 -0.152 18096 14792 1 20 . 1 1 128 128 MET C C 128 177.815 177.815 177.230 0.585 18096 14793 1 20 . 1 1 128 128 MET CA C 128 58.198 58.198 57.637 0.561 18096 14794 1 20 . 1 1 128 128 MET CB C 128 32.113 32.113 32.744 -0.631 18096 14795 1 20 . 1 1 128 128 MET H H 128 7.821 7.821 7.271 0.550 18096 14796 1 20 . 1 1 129 129 PHE N N 129 116.018 116.018 119.833 -3.815 18096 14797 1 20 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.335 -0.201 18096 14798 1 20 . 1 1 129 129 PHE C C 129 175.863 175.863 176.918 -1.055 18096 14799 1 20 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.456 -0.641 18096 14800 1 20 . 1 1 129 129 PHE CB C 129 39.090 39.090 40.248 -1.158 18096 14801 1 20 . 1 1 129 129 PHE H H 129 7.797 7.797 7.659 0.138 18096 14802 1 20 . 1 1 130 130 LEU N N 130 115.806 115.806 119.400 -3.594 18096 14803 1 20 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.292 0.046 18096 14804 1 20 . 1 1 130 130 LEU C C 130 177.219 177.219 177.216 0.003 18096 14805 1 20 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.253 1.214 18096 14806 1 20 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.253 0.171 18096 14807 1 20 . 1 1 130 130 LEU H H 130 7.745 7.745 7.904 -0.159 18096 14808 1 20 . 1 1 131 131 GLN N N 131 118.630 118.630 119.540 -0.910 18096 14809 1 20 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.068 0.036 18096 14810 1 20 . 1 1 131 131 GLN CA C 131 60.319 60.319 57.976 2.343 18096 14811 1 20 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.265 -0.444 18096 14812 1 20 . 1 1 131 131 GLN H H 131 7.808 7.808 7.540 0.268 18096 14813 1 20 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.398 -0.025 18096 14814 1 20 . 1 1 132 132 PRO C C 132 177.739 177.739 177.114 0.625 18096 14815 1 20 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.366 3.017 18096 14816 1 20 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.299 -0.773 18096 14817 1 20 . 1 1 133 133 LEU N N 133 115.632 115.632 117.542 -1.910 18096 14818 1 20 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.058 0.006 18096 14819 1 20 . 1 1 133 133 LEU C C 133 176.918 176.918 176.751 0.167 18096 14820 1 20 . 1 1 133 133 LEU CA C 133 56.401 56.401 57.123 -0.722 18096 14821 1 20 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.048 -0.059 18096 14822 1 20 . 1 1 133 133 LEU H H 133 7.689 7.689 8.319 -0.630 18096 14823 1 20 . 1 1 134 134 PHE N N 134 114.807 114.807 116.338 -1.531 18096 14824 1 20 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.513 0.016 18096 14825 1 20 . 1 1 134 134 PHE C C 134 175.245 175.245 175.462 -0.217 18096 14826 1 20 . 1 1 134 134 PHE CA C 134 57.738 57.738 58.742 -1.004 18096 14827 1 20 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.221 0.389 18096 14828 1 20 . 1 1 134 134 PHE H H 134 7.679 7.679 7.606 0.073 18096 14829 1 20 . 1 1 135 135 GLN N N 135 118.318 118.318 118.539 -0.221 18096 14830 1 20 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.439 -0.124 18096 14831 1 20 . 1 1 135 135 GLN C C 135 175.361 175.361 175.013 0.348 18096 14832 1 20 . 1 1 135 135 GLN CA C 135 56.107 56.107 55.816 0.291 18096 14833 1 20 . 1 1 135 135 GLN CB C 135 29.866 29.866 30.245 -0.379 18096 14834 1 20 . 1 1 135 135 GLN H H 135 7.651 7.651 8.115 -0.464 18096 14835 1 20 . 1 1 136 136 GLU N N 136 120.684 120.684 120.076 0.608 18096 14836 1 20 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.122 0.189 18096 14837 1 20 . 1 1 136 136 GLU C C 136 175.153 175.153 175.496 -0.343 18096 14838 1 20 . 1 1 136 136 GLU CA C 136 56.475 56.475 57.263 -0.788 18096 14839 1 20 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.827 1.405 18096 14840 1 20 . 1 1 136 136 GLU H H 136 8.109 8.109 8.521 -0.412 18096 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 124 2.307 0.872 2.145 18096 2 1 1 "Average Difference" HA 133 0.210 0.080 0.194 18096 3 1 1 "Average Difference" C 123 0.875 0.260 0.839 18096 4 1 1 "Average Difference" CA 132 1.160 -0.391 1.096 18096 5 1 1 "Average Difference" CB 116 0.762 -0.038 0.765 18096 6 1 1 "Average Difference" HN 124 0.488 -0.180 0.456 18096 7 1 2 "Average Difference" N 124 2.284 0.978 2.073 18096 8 1 2 "Average Difference" HA 133 0.213 0.096 0.190 18096 9 1 2 "Average Difference" C 123 0.850 0.216 0.825 18096 10 1 2 "Average Difference" CA 132 1.168 -0.485 1.066 18096 11 1 2 "Average Difference" CB 116 0.715 -0.029 0.717 18096 12 1 2 "Average Difference" HN 124 0.491 -0.158 0.467 18096 13 1 3 "Average Difference" N 124 2.297 0.854 2.141 18096 14 1 3 "Average Difference" HA 133 0.218 0.064 0.209 18096 15 1 3 "Average Difference" C 123 0.867 0.279 0.825 18096 16 1 3 "Average Difference" CA 132 1.161 -0.371 1.104 18096 17 1 3 "Average Difference" CB 116 0.776 0.006 0.780 18096 18 1 3 "Average Difference" HN 124 0.488 -0.103 0.479 18096 19 1 4 "Average Difference" N 124 2.267 0.988 2.049 18096 20 1 4 "Average Difference" HA 133 0.183 0.089 0.161 18096 21 1 4 "Average Difference" C 123 0.857 0.227 0.830 18096 22 1 4 "Average Difference" CA 132 1.217 -0.455 1.134 18096 23 1 4 "Average Difference" CB 116 0.742 -0.086 0.740 18096 24 1 4 "Average Difference" HN 124 0.499 -0.190 0.464 18096 25 1 5 "Average Difference" N 124 2.321 0.950 2.126 18096 26 1 5 "Average Difference" HA 133 0.219 0.077 0.206 18096 27 1 5 "Average Difference" C 123 0.829 0.309 0.772 18096 28 1 5 "Average Difference" CA 132 1.108 -0.296 1.072 18096 29 1 5 "Average Difference" CB 116 0.768 -0.005 0.771 18096 30 1 5 "Average Difference" HN 124 0.526 -0.129 0.512 18096 31 1 6 "Average Difference" N 124 2.196 0.759 2.069 18096 32 1 6 "Average Difference" HA 133 0.200 0.063 0.191 18096 33 1 6 "Average Difference" C 123 0.853 0.151 0.843 18096 34 1 6 "Average Difference" CA 132 1.011 -0.370 0.944 18096 35 1 6 "Average Difference" CB 116 0.653 -0.011 0.655 18096 36 1 6 "Average Difference" HN 124 0.507 -0.177 0.477 18096 37 1 7 "Average Difference" N 124 2.129 0.774 1.991 18096 38 1 7 "Average Difference" HA 133 0.218 0.083 0.203 18096 39 1 7 "Average Difference" C 123 0.869 0.272 0.829 18096 40 1 7 "Average Difference" CA 132 1.261 -0.435 1.188 18096 41 1 7 "Average Difference" CB 116 0.744 -0.091 0.741 18096 42 1 7 "Average Difference" HN 124 0.536 -0.146 0.517 18096 43 1 8 "Average Difference" N 124 2.487 1.123 2.228 18096 44 1 8 "Average Difference" HA 133 0.206 0.081 0.190 18096 45 1 8 "Average Difference" C 123 0.853 0.158 0.842 18096 46 1 8 "Average Difference" CA 132 1.152 -0.437 1.070 18096 47 1 8 "Average Difference" CB 116 0.675 -0.051 0.676 18096 48 1 8 "Average Difference" HN 124 0.482 -0.169 0.453 18096 49 1 9 "Average Difference" N 124 2.270 0.886 2.098 18096 50 1 9 "Average Difference" HA 133 0.232 0.083 0.218 18096 51 1 9 "Average Difference" C 123 0.885 0.156 0.874 18096 52 1 9 "Average Difference" CA 132 1.039 -0.471 0.930 18096 53 1 9 "Average Difference" CB 116 0.744 0.079 0.743 18096 54 1 9 "Average Difference" HN 124 0.501 -0.144 0.482 18096 55 1 10 "Average Difference" N 124 2.109 0.692 2.000 18096 56 1 10 "Average Difference" HA 133 0.215 0.106 0.188 18096 57 1 10 "Average Difference" C 123 0.894 0.162 0.882 18096 58 1 10 "Average Difference" CA 132 1.156 -0.447 1.070 18096 59 1 10 "Average Difference" CB 116 0.783 0.028 0.786 18096 60 1 10 "Average Difference" HN 124 0.468 -0.155 0.444 18096 61 1 11 "Average Difference" N 124 2.487 0.981 2.295 18096 62 1 11 "Average Difference" HA 133 0.213 0.068 0.203 18096 63 1 11 "Average Difference" C 123 0.888 0.148 0.879 18096 64 1 11 "Average Difference" CA 132 1.196 -0.389 1.136 18096 65 1 11 "Average Difference" CB 116 0.692 -0.034 0.694 18096 66 1 11 "Average Difference" HN 124 0.480 -0.164 0.452 18096 67 1 12 "Average Difference" N 124 2.174 0.837 2.014 18096 68 1 12 "Average Difference" HA 133 0.189 0.098 0.162 18096 69 1 12 "Average Difference" C 123 0.788 0.239 0.754 18096 70 1 12 "Average Difference" CA 132 1.200 -0.379 1.143 18096 71 1 12 "Average Difference" CB 116 0.777 -0.014 0.781 18096 72 1 12 "Average Difference" HN 124 0.490 -0.191 0.453 18096 73 1 13 "Average Difference" N 124 2.299 0.929 2.111 18096 74 1 13 "Average Difference" HA 133 0.221 0.065 0.212 18096 75 1 13 "Average Difference" C 123 0.876 0.235 0.848 18096 76 1 13 "Average Difference" CA 132 1.182 -0.410 1.113 18096 77 1 13 "Average Difference" CB 116 0.649 -0.013 0.651 18096 78 1 13 "Average Difference" HN 124 0.486 -0.174 0.455 18096 79 1 14 "Average Difference" N 124 2.371 0.808 2.238 18096 80 1 14 "Average Difference" HA 133 0.221 0.090 0.203 18096 81 1 14 "Average Difference" C 123 0.868 0.243 0.837 18096 82 1 14 "Average Difference" CA 132 1.163 -0.488 1.059 18096 83 1 14 "Average Difference" CB 116 0.719 -0.016 0.722 18096 84 1 14 "Average Difference" HN 124 0.490 -0.159 0.466 18096 85 1 15 "Average Difference" N 124 2.280 0.995 2.059 18096 86 1 15 "Average Difference" HA 133 0.199 0.083 0.181 18096 87 1 15 "Average Difference" C 123 0.907 0.209 0.886 18096 88 1 15 "Average Difference" CA 132 1.028 -0.370 0.963 18096 89 1 15 "Average Difference" CB 116 0.670 0.045 0.672 18096 90 1 15 "Average Difference" HN 124 0.471 -0.168 0.441 18096 91 1 16 "Average Difference" N 124 2.224 0.843 2.066 18096 92 1 16 "Average Difference" HA 133 0.207 0.090 0.187 18096 93 1 16 "Average Difference" C 123 0.844 0.273 0.802 18096 94 1 16 "Average Difference" CA 132 1.049 -0.417 0.966 18096 95 1 16 "Average Difference" CB 116 0.745 -0.093 0.742 18096 96 1 16 "Average Difference" HN 124 0.488 -0.151 0.466 18096 97 1 17 "Average Difference" N 124 2.391 1.002 2.180 18096 98 1 17 "Average Difference" HA 133 0.176 0.055 0.168 18096 99 1 17 "Average Difference" C 123 0.848 0.296 0.798 18096 100 1 17 "Average Difference" CA 132 1.135 -0.305 1.098 18096 101 1 17 "Average Difference" CB 116 0.721 -0.136 0.711 18096 102 1 17 "Average Difference" HN 124 0.495 -0.174 0.465 18096 103 1 18 "Average Difference" N 124 2.162 0.962 1.945 18096 104 1 18 "Average Difference" HA 133 0.203 0.086 0.184 18096 105 1 18 "Average Difference" C 123 0.839 0.220 0.813 18096 106 1 18 "Average Difference" CA 132 1.135 -0.450 1.046 18096 107 1 18 "Average Difference" CB 116 0.772 -0.045 0.774 18096 108 1 18 "Average Difference" HN 124 0.528 -0.142 0.511 18096 109 1 19 "Average Difference" N 124 2.335 0.935 2.148 18096 110 1 19 "Average Difference" HA 133 0.211 0.068 0.200 18096 111 1 19 "Average Difference" C 123 0.837 0.283 0.791 18096 112 1 19 "Average Difference" CA 132 1.186 -0.377 1.129 18096 113 1 19 "Average Difference" CB 116 0.639 -0.080 0.637 18096 114 1 19 "Average Difference" HN 124 0.492 -0.183 0.458 18096 115 1 20 "Average Difference" N 124 2.233 0.901 2.052 18096 116 1 20 "Average Difference" HA 133 0.184 0.069 0.171 18096 117 1 20 "Average Difference" C 123 0.876 0.218 0.852 18096 118 1 20 "Average Difference" CA 132 1.126 -0.333 1.079 18096 119 1 20 "Average Difference" CB 116 0.663 -0.016 0.666 18096 120 1 20 "Average Difference" HN 124 0.492 -0.225 0.440 18096 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 18096 _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 3 3 ALA N N 3 124.656 124.656 123.875 0.781 18096 2 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.528 -0.322 18096 3 1 . 1 1 3 3 ALA C C 3 178.133 178.133 176.943 1.190 18096 4 1 . 1 1 3 3 ALA CA C 3 53.685 53.685 52.264 1.422 18096 5 1 . 1 1 3 3 ALA CB C 3 19.083 19.083 19.692 -0.609 18096 6 1 . 1 1 3 3 ALA H H 3 8.402 8.402 8.273 0.129 18096 7 1 . 1 1 4 4 GLU N N 4 117.439 117.439 120.883 -3.444 18096 8 1 . 1 1 4 4 GLU HA H 4 4.129 4.129 4.417 -0.288 18096 9 1 . 1 1 4 4 GLU C C 4 176.534 176.534 175.943 0.591 18096 10 1 . 1 1 4 4 GLU CA C 4 57.424 57.424 56.310 1.114 18096 11 1 . 1 1 4 4 GLU CB C 4 29.884 29.884 30.057 -0.173 18096 12 1 . 1 1 4 4 GLU H H 4 8.219 8.219 8.617 -0.398 18096 13 1 . 1 1 5 5 GLU N N 5 118.815 118.815 118.432 0.383 18096 14 1 . 1 1 5 5 GLU HA H 5 4.211 4.211 4.272 -0.061 18096 15 1 . 1 1 5 5 GLU C C 5 176.604 176.604 176.639 -0.035 18096 16 1 . 1 1 5 5 GLU CA C 5 56.951 56.951 56.882 0.069 18096 17 1 . 1 1 5 5 GLU CB C 5 29.962 29.962 29.219 0.743 18096 18 1 . 1 1 5 5 GLU H H 5 7.992 7.992 8.371 -0.379 18096 19 1 . 1 1 6 6 GLU N N 6 121.446 121.446 122.469 -1.023 18096 20 1 . 1 1 6 6 GLU HA H 6 4.184 4.184 4.236 -0.052 18096 21 1 . 1 1 6 6 GLU CA C 6 57.421 57.421 59.491 -2.070 18096 22 1 . 1 1 6 6 GLU CB C 6 28.983 28.983 28.390 0.593 18096 23 1 . 1 1 6 6 GLU H H 6 8.148 8.148 8.656 -0.508 18096 24 1 . 1 1 7 7 PRO HA H 7 4.263 4.263 4.415 -0.152 18096 25 1 . 1 1 7 7 PRO C C 7 178.717 178.717 178.373 0.344 18096 26 1 . 1 1 7 7 PRO CA C 7 65.529 65.529 65.130 0.399 18096 27 1 . 1 1 7 7 PRO CB C 7 31.323 31.323 31.395 -0.072 18096 28 1 . 1 1 8 8 LEU N N 8 119.642 119.642 118.498 1.144 18096 29 1 . 1 1 8 8 LEU HA H 8 3.952 3.952 4.249 -0.297 18096 30 1 . 1 1 8 8 LEU C C 8 177.905 177.905 178.065 -0.160 18096 31 1 . 1 1 8 8 LEU CA C 8 57.931 57.931 56.799 1.132 18096 32 1 . 1 1 8 8 LEU CB C 8 41.773 41.773 41.438 0.335 18096 33 1 . 1 1 8 8 LEU H H 8 8.222 8.222 7.984 0.238 18096 34 1 . 1 1 9 9 PHE N N 9 118.625 118.625 119.183 -0.558 18096 35 1 . 1 1 9 9 PHE HA H 9 4.172 4.172 4.202 -0.030 18096 36 1 . 1 1 9 9 PHE C C 9 177.620 177.620 176.949 0.671 18096 37 1 . 1 1 9 9 PHE CA C 9 61.072 61.072 60.942 0.130 18096 38 1 . 1 1 9 9 PHE CB C 9 38.838 38.838 39.095 -0.257 18096 39 1 . 1 1 9 9 PHE H H 9 8.071 8.071 7.793 0.278 18096 40 1 . 1 1 10 10 TYR N N 10 117.829 117.829 119.809 -1.981 18096 41 1 . 1 1 10 10 TYR HA H 10 4.190 4.190 4.124 0.066 18096 42 1 . 1 1 10 10 TYR C C 10 177.743 177.743 177.427 0.317 18096 43 1 . 1 1 10 10 TYR CA C 10 61.209 61.209 61.885 -0.675 18096 44 1 . 1 1 10 10 TYR CB C 10 38.715 38.715 38.785 -0.070 18096 45 1 . 1 1 10 10 TYR H H 10 8.204 8.204 7.766 0.438 18096 46 1 . 1 1 11 11 THR N N 11 115.545 115.545 114.545 1.000 18096 47 1 . 1 1 11 11 THR HA H 11 3.875 3.875 3.736 0.140 18096 48 1 . 1 1 11 11 THR C C 11 175.937 175.937 176.584 -0.647 18096 49 1 . 1 1 11 11 THR CA C 11 67.187 67.187 65.799 1.388 18096 50 1 . 1 1 11 11 THR CB C 11 68.579 68.579 68.452 0.127 18096 51 1 . 1 1 11 11 THR H H 11 7.934 7.934 7.827 0.107 18096 52 1 . 1 1 12 12 ILE N N 12 120.096 120.096 120.272 -0.176 18096 53 1 . 1 1 12 12 ILE HA H 12 3.682 3.682 3.659 0.023 18096 54 1 . 1 1 12 12 ILE C C 12 175.863 175.863 177.468 -1.605 18096 55 1 . 1 1 12 12 ILE CA C 12 64.821 64.821 64.928 -0.107 18096 56 1 . 1 1 12 12 ILE CB C 12 37.956 37.956 37.330 0.626 18096 57 1 . 1 1 12 12 ILE H H 12 8.172 8.172 7.700 0.472 18096 58 1 . 1 1 13 13 ASN N N 13 114.444 114.444 117.230 -2.786 18096 59 1 . 1 1 13 13 ASN HA H 13 4.393 4.393 4.441 -0.048 18096 60 1 . 1 1 13 13 ASN C C 13 174.880 174.880 176.271 -1.391 18096 61 1 . 1 1 13 13 ASN CA C 13 55.257 55.257 55.378 -0.121 18096 62 1 . 1 1 13 13 ASN CB C 13 39.546 39.546 38.299 1.247 18096 63 1 . 1 1 13 13 ASN H H 13 7.731 7.731 7.569 0.162 18096 64 1 . 1 1 14 14 LEU N N 14 115.306 115.306 118.945 -3.639 18096 65 1 . 1 1 14 14 LEU HA H 14 4.346 4.346 4.096 0.250 18096 66 1 . 1 1 14 14 LEU C C 14 177.427 177.427 177.636 -0.209 18096 67 1 . 1 1 14 14 LEU CA C 14 56.370 56.370 56.403 -0.033 18096 68 1 . 1 1 14 14 LEU CB C 14 41.766 41.766 42.310 -0.544 18096 69 1 . 1 1 14 14 LEU H H 14 7.381 7.381 7.234 0.147 18096 70 1 . 1 1 15 15 ILE N N 15 117.935 117.935 119.877 -1.942 18096 71 1 . 1 1 15 15 ILE HA H 15 3.598 3.598 3.728 -0.130 18096 72 1 . 1 1 15 15 ILE CA C 15 65.452 65.452 63.342 2.110 18096 73 1 . 1 1 15 15 ILE CB C 15 37.681 37.681 37.404 0.277 18096 74 1 . 1 1 15 15 ILE H H 15 8.135 8.135 7.325 0.810 18096 75 1 . 1 1 17 17 PRO HA H 17 4.046 4.046 4.336 -0.290 18096 76 1 . 1 1 17 17 PRO C C 17 177.518 177.518 178.821 -1.303 18096 77 1 . 1 1 17 17 PRO CA C 17 66.645 66.645 65.655 0.990 18096 78 1 . 1 1 17 17 PRO CB C 17 30.966 30.966 30.928 0.038 18096 79 1 . 1 1 18 18 CYS N N 18 113.411 113.411 118.253 -4.842 18096 80 1 . 1 1 18 18 CYS HA H 18 3.951 3.951 4.083 -0.132 18096 81 1 . 1 1 18 18 CYS C C 18 177.617 177.617 176.989 0.628 18096 82 1 . 1 1 18 18 CYS CA C 18 64.488 64.488 63.318 1.170 18096 83 1 . 1 1 18 18 CYS CB C 18 26.768 26.768 27.238 -0.470 18096 84 1 . 1 1 18 18 CYS H H 18 7.338 7.338 7.531 -0.193 18096 85 1 . 1 1 19 19 VAL N N 19 121.720 121.720 118.796 2.924 18096 86 1 . 1 1 19 19 VAL HA H 19 3.521 3.521 3.743 -0.222 18096 87 1 . 1 1 19 19 VAL C C 19 178.069 178.069 178.000 0.069 18096 88 1 . 1 1 19 19 VAL CA C 19 67.065 67.065 66.098 0.967 18096 89 1 . 1 1 19 19 VAL CB C 19 31.752 31.752 31.176 0.576 18096 90 1 . 1 1 19 19 VAL H H 19 8.587 8.587 7.836 0.751 18096 91 1 . 1 1 20 20 LEU N N 20 121.731 121.731 121.362 0.369 18096 92 1 . 1 1 20 20 LEU HA H 20 4.021 4.021 3.940 0.080 18096 93 1 . 1 1 20 20 LEU C C 20 177.989 177.989 179.026 -1.037 18096 94 1 . 1 1 20 20 LEU CA C 20 58.649 58.649 58.168 0.481 18096 95 1 . 1 1 20 20 LEU CB C 20 41.934 41.934 41.745 0.189 18096 96 1 . 1 1 20 20 LEU H H 20 8.344 8.344 7.426 0.918 18096 97 1 . 1 1 21 21 ILE N N 21 117.403 117.403 118.742 -1.339 18096 98 1 . 1 1 21 21 ILE HA H 21 3.669 3.669 3.588 0.081 18096 99 1 . 1 1 21 21 ILE C C 21 176.947 176.947 178.054 -1.107 18096 100 1 . 1 1 21 21 ILE CA C 21 65.356 65.356 65.622 -0.266 18096 101 1 . 1 1 21 21 ILE CB C 21 37.918 37.918 37.656 0.262 18096 102 1 . 1 1 21 21 ILE H H 21 8.371 8.371 8.567 -0.196 18096 103 1 . 1 1 22 22 THR N N 22 115.544 115.544 115.731 -0.187 18096 104 1 . 1 1 22 22 THR HA H 22 3.681 3.681 3.934 -0.253 18096 105 1 . 1 1 22 22 THR C C 22 176.073 176.073 176.647 -0.575 18096 106 1 . 1 1 22 22 THR CA C 22 68.152 68.152 67.184 0.968 18096 107 1 . 1 1 22 22 THR CB C 22 68.428 68.428 68.419 0.009 18096 108 1 . 1 1 22 22 THR H H 22 7.829 7.829 7.640 0.189 18096 109 1 . 1 1 23 23 SER N N 23 116.192 116.192 117.782 -1.590 18096 110 1 . 1 1 23 23 SER HA H 23 4.023 4.023 4.067 -0.044 18096 111 1 . 1 1 23 23 SER C C 23 175.279 175.279 176.559 -1.280 18096 112 1 . 1 1 23 23 SER CA C 23 63.884 63.884 61.636 2.248 18096 113 1 . 1 1 23 23 SER CB C 23 62.971 62.971 62.928 0.043 18096 114 1 . 1 1 23 23 SER H H 23 8.069 8.069 7.896 0.173 18096 115 1 . 1 1 24 24 LEU N N 24 120.855 120.855 122.011 -1.156 18096 116 1 . 1 1 24 24 LEU HA H 24 3.981 3.981 4.027 -0.046 18096 117 1 . 1 1 24 24 LEU C C 24 177.542 177.542 178.559 -1.017 18096 118 1 . 1 1 24 24 LEU CA C 24 58.036 58.036 57.979 0.057 18096 119 1 . 1 1 24 24 LEU CB C 24 41.941 41.941 41.585 0.356 18096 120 1 . 1 1 24 24 LEU H H 24 7.858 7.858 7.789 0.069 18096 121 1 . 1 1 25 25 ALA N N 25 119.507 119.507 121.300 -1.793 18096 122 1 . 1 1 25 25 ALA HA H 25 3.940 3.940 4.094 -0.154 18096 123 1 . 1 1 25 25 ALA C C 25 177.915 177.915 179.832 -1.917 18096 124 1 . 1 1 25 25 ALA CA C 25 55.612 55.612 54.977 0.635 18096 125 1 . 1 1 25 25 ALA CB C 25 18.251 18.251 18.225 0.025 18096 126 1 . 1 1 25 25 ALA H H 25 8.141 8.141 7.642 0.499 18096 127 1 . 1 1 26 26 ILE N N 26 115.689 115.689 119.428 -3.739 18096 128 1 . 1 1 26 26 ILE HA H 26 3.798 3.798 3.799 -0.001 18096 129 1 . 1 1 26 26 ILE C C 26 177.729 177.729 177.944 -0.215 18096 130 1 . 1 1 26 26 ILE CA C 26 65.340 65.340 65.119 0.221 18096 131 1 . 1 1 26 26 ILE CB C 26 37.830 37.830 38.053 -0.223 18096 132 1 . 1 1 26 26 ILE H H 26 8.012 8.012 7.653 0.359 18096 133 1 . 1 1 27 27 LEU N N 27 118.567 118.567 120.303 -1.736 18096 134 1 . 1 1 27 27 LEU HA H 27 4.006 4.006 4.015 -0.009 18096 135 1 . 1 1 27 27 LEU C C 27 178.364 178.364 179.168 -0.804 18096 136 1 . 1 1 27 27 LEU CA C 27 58.737 58.737 58.376 0.361 18096 137 1 . 1 1 27 27 LEU CB C 27 41.837 41.837 41.585 0.252 18096 138 1 . 1 1 27 27 LEU H H 27 8.045 8.045 8.321 -0.276 18096 139 1 . 1 1 28 28 VAL N N 28 113.720 113.720 118.896 -5.176 18096 140 1 . 1 1 28 28 VAL HA H 28 3.575 3.575 3.728 -0.153 18096 141 1 . 1 1 28 28 VAL C C 28 177.809 177.809 178.127 -0.318 18096 142 1 . 1 1 28 28 VAL CA C 28 66.013 66.013 66.319 -0.306 18096 143 1 . 1 1 28 28 VAL CB C 28 32.050 32.050 31.610 0.440 18096 144 1 . 1 1 28 28 VAL H H 28 8.008 8.008 7.651 0.357 18096 145 1 . 1 1 29 29 PHE N N 29 115.458 115.458 117.952 -2.494 18096 146 1 . 1 1 29 29 PHE HA H 29 4.209 4.209 4.269 -0.060 18096 147 1 . 1 1 29 29 PHE C C 29 176.366 176.366 177.514 -1.148 18096 148 1 . 1 1 29 29 PHE CA C 29 60.858 60.858 61.339 -0.481 18096 149 1 . 1 1 29 29 PHE CB C 29 39.597 39.597 39.101 0.496 18096 150 1 . 1 1 29 29 PHE H H 29 7.915 7.915 7.695 0.220 18096 151 1 . 1 1 30 30 TYR N N 30 115.649 115.649 116.878 -1.229 18096 152 1 . 1 1 30 30 TYR HA H 30 4.241 4.241 4.487 -0.246 18096 153 1 . 1 1 30 30 TYR C C 30 175.388 175.388 176.012 -0.624 18096 154 1 . 1 1 30 30 TYR CA C 30 59.386 59.386 60.499 -1.113 18096 155 1 . 1 1 30 30 TYR CB C 30 39.640 39.640 39.514 0.126 18096 156 1 . 1 1 30 30 TYR H H 30 8.002 8.002 7.830 0.172 18096 157 1 . 1 1 31 31 LEU N N 31 121.144 121.144 120.509 0.635 18096 158 1 . 1 1 31 31 LEU HA H 31 4.448 4.448 4.782 -0.334 18096 159 1 . 1 1 31 31 LEU CA C 31 54.149 54.149 52.385 1.764 18096 160 1 . 1 1 31 31 LEU CB C 31 42.336 42.336 43.216 -0.880 18096 161 1 . 1 1 31 31 LEU H H 31 7.514 7.514 7.712 -0.198 18096 162 1 . 1 1 32 32 PRO C C 32 176.530 176.530 176.416 0.114 18096 163 1 . 1 1 33 33 SER N N 33 115.448 115.448 118.161 -2.713 18096 164 1 . 1 1 33 33 SER HA H 33 4.317 4.317 4.539 -0.222 18096 165 1 . 1 1 33 33 SER C C 33 174.174 174.174 174.111 0.063 18096 166 1 . 1 1 33 33 SER CA C 33 59.954 59.954 57.790 2.164 18096 167 1 . 1 1 33 33 SER H H 33 8.370 8.370 8.211 0.159 18096 168 1 . 1 1 34 34 ASP N N 34 119.694 119.694 122.168 -2.474 18096 169 1 . 1 1 34 34 ASP HA H 34 4.585 4.585 4.708 -0.123 18096 170 1 . 1 1 34 34 ASP C C 34 175.971 175.971 175.846 0.125 18096 171 1 . 1 1 34 34 ASP CA C 34 54.442 54.442 54.587 -0.145 18096 172 1 . 1 1 34 34 ASP CB C 34 41.240 41.240 41.263 -0.023 18096 173 1 . 1 1 34 34 ASP H H 34 8.209 8.209 8.515 -0.306 18096 174 1 . 1 1 35 35 CYS N N 35 114.872 114.872 118.797 -3.925 18096 175 1 . 1 1 35 35 CYS HA H 35 4.203 4.203 4.605 -0.402 18096 176 1 . 1 1 35 35 CYS C C 35 175.147 175.147 175.869 -0.722 18096 177 1 . 1 1 35 35 CYS CA C 35 61.121 61.121 59.104 2.017 18096 178 1 . 1 1 35 35 CYS CB C 35 27.886 27.886 28.462 -0.576 18096 179 1 . 1 1 35 35 CYS H H 35 7.750 7.750 8.204 -0.454 18096 180 1 . 1 1 36 36 GLY N N 36 110.059 110.059 109.129 0.930 18096 181 1 . 1 1 36 36 GLY C C 36 174.391 174.391 175.112 -0.721 18096 182 1 . 1 1 36 36 GLY CA C 36 46.287 46.287 45.474 0.814 18096 183 1 . 1 1 36 36 GLY H H 36 8.357 8.357 8.115 0.242 18096 184 1 . 1 1 37 37 GLU N N 37 121.785 121.785 120.381 1.404 18096 185 1 . 1 1 37 37 GLU HA H 37 4.066 4.066 4.025 0.041 18096 186 1 . 1 1 37 37 GLU C C 37 176.536 176.536 178.105 -1.569 18096 187 1 . 1 1 37 37 GLU CA C 37 58.526 58.526 59.054 -0.528 18096 188 1 . 1 1 37 37 GLU CB C 37 29.730 29.730 29.631 0.099 18096 189 1 . 1 1 37 37 GLU H H 37 8.359 8.359 8.523 -0.164 18096 190 1 . 1 1 38 38 LYS N N 38 123.927 123.927 119.059 4.868 18096 191 1 . 1 1 38 38 LYS HA H 38 4.123 4.123 3.995 0.128 18096 192 1 . 1 1 38 38 LYS C C 38 177.544 177.544 178.874 -1.330 18096 193 1 . 1 1 38 38 LYS CA C 38 58.569 58.569 59.123 -0.554 18096 194 1 . 1 1 38 38 LYS CB C 38 31.677 31.677 31.798 -0.121 18096 195 1 . 1 1 38 38 LYS H H 38 8.226 8.226 8.135 0.091 18096 196 1 . 1 1 39 39 MET N N 39 117.932 117.932 118.293 -0.362 18096 197 1 . 1 1 39 39 MET HA H 39 4.135 4.135 4.228 -0.093 18096 198 1 . 1 1 39 39 MET C C 39 178.602 178.602 178.337 0.265 18096 199 1 . 1 1 39 39 MET CA C 39 58.851 58.851 59.018 -0.167 18096 200 1 . 1 1 39 39 MET CB C 39 32.220 32.220 32.352 -0.132 18096 201 1 . 1 1 39 39 MET H H 39 8.262 8.262 7.887 0.375 18096 202 1 . 1 1 40 40 THR N N 40 117.201 117.201 115.855 1.346 18096 203 1 . 1 1 40 40 THR HA H 40 3.673 3.673 3.989 -0.316 18096 204 1 . 1 1 40 40 THR C C 40 175.927 175.927 176.738 -0.811 18096 205 1 . 1 1 40 40 THR CA C 40 67.352 67.352 66.344 1.008 18096 206 1 . 1 1 40 40 THR H H 40 8.341 8.341 7.715 0.626 18096 207 1 . 1 1 41 41 LEU N N 41 120.040 120.040 122.689 -2.649 18096 208 1 . 1 1 41 41 LEU HA H 41 4.052 4.052 4.158 -0.106 18096 209 1 . 1 1 41 41 LEU C C 41 177.809 177.809 178.160 -0.351 18096 210 1 . 1 1 41 41 LEU CA C 41 58.387 58.387 57.890 0.497 18096 211 1 . 1 1 41 41 LEU H H 41 8.181 8.181 7.875 0.306 18096 212 1 . 1 1 42 42 CYS N N 42 117.556 117.556 118.594 -1.038 18096 213 1 . 1 1 42 42 CYS HA H 42 3.952 3.952 4.056 -0.104 18096 214 1 . 1 1 42 42 CYS C C 42 176.460 176.460 177.195 -0.735 18096 215 1 . 1 1 42 42 CYS CA C 42 64.496 64.496 63.251 1.245 18096 216 1 . 1 1 42 42 CYS CB C 42 26.833 26.833 26.966 -0.132 18096 217 1 . 1 1 42 42 CYS H H 42 7.949 7.949 7.734 0.215 18096 218 1 . 1 1 43 43 ILE N N 43 117.336 117.336 119.594 -2.258 18096 219 1 . 1 1 43 43 ILE HA H 43 3.629 3.629 3.721 -0.092 18096 220 1 . 1 1 43 43 ILE C C 43 177.256 177.256 177.835 -0.579 18096 221 1 . 1 1 43 43 ILE CA C 43 65.075 65.075 64.932 0.143 18096 222 1 . 1 1 43 43 ILE CB C 43 37.944 37.944 37.726 0.217 18096 223 1 . 1 1 43 43 ILE H H 43 8.347 8.347 7.698 0.649 18096 224 1 . 1 1 44 44 SER N N 44 116.243 116.243 116.621 -0.378 18096 225 1 . 1 1 44 44 SER HA H 44 4.083 4.083 4.208 -0.125 18096 226 1 . 1 1 44 44 SER C C 44 176.305 176.305 176.664 -0.359 18096 227 1 . 1 1 44 44 SER CA C 44 63.348 63.348 62.243 1.105 18096 228 1 . 1 1 44 44 SER CB C 44 62.954 62.954 63.182 -0.228 18096 229 1 . 1 1 44 44 SER H H 44 8.064 8.064 7.696 0.368 18096 230 1 . 1 1 45 45 VAL N N 45 120.333 120.333 121.930 -1.597 18096 231 1 . 1 1 45 45 VAL HA H 45 3.516 3.516 3.765 -0.249 18096 232 1 . 1 1 45 45 VAL C C 45 177.247 177.247 177.536 -0.289 18096 233 1 . 1 1 45 45 VAL CA C 45 66.938 66.938 66.083 0.855 18096 234 1 . 1 1 45 45 VAL CB C 45 31.760 31.760 31.647 0.113 18096 235 1 . 1 1 45 45 VAL H H 45 8.036 8.036 8.322 -0.286 18096 236 1 . 1 1 46 46 LEU N N 46 119.430 119.430 120.131 -0.701 18096 237 1 . 1 1 46 46 LEU HA H 46 3.948 3.948 4.085 -0.137 18096 238 1 . 1 1 46 46 LEU C C 46 180.032 180.032 178.602 1.430 18096 239 1 . 1 1 46 46 LEU CA C 46 58.526 58.526 57.926 0.600 18096 240 1 . 1 1 46 46 LEU CB C 46 41.985 41.985 41.872 0.113 18096 241 1 . 1 1 46 46 LEU H H 46 7.959 7.959 7.448 0.511 18096 242 1 . 1 1 47 47 LEU N N 47 121.110 121.110 120.208 0.902 18096 243 1 . 1 1 47 47 LEU HA H 47 3.998 3.998 3.962 0.036 18096 244 1 . 1 1 47 47 LEU C C 47 177.985 177.985 178.546 -0.561 18096 245 1 . 1 1 47 47 LEU CA C 47 58.439 58.439 58.001 0.438 18096 246 1 . 1 1 47 47 LEU CB C 47 42.046 42.046 41.555 0.491 18096 247 1 . 1 1 47 47 LEU H H 47 8.695 8.695 7.688 1.007 18096 248 1 . 1 1 48 48 ALA N N 48 121.251 121.251 121.629 -0.378 18096 249 1 . 1 1 48 48 ALA HA H 48 3.845 3.845 3.955 -0.110 18096 250 1 . 1 1 48 48 ALA C C 48 178.834 178.834 179.658 -0.824 18096 251 1 . 1 1 48 48 ALA CA C 48 55.709 55.709 55.195 0.514 18096 252 1 . 1 1 48 48 ALA CB C 48 18.133 18.133 18.135 -0.002 18096 253 1 . 1 1 48 48 ALA H H 48 8.272 8.272 7.794 0.478 18096 254 1 . 1 1 49 49 LEU N N 49 116.290 116.290 118.348 -2.058 18096 255 1 . 1 1 49 49 LEU HA H 49 3.997 3.997 4.196 -0.199 18096 256 1 . 1 1 49 49 LEU C C 49 178.068 178.068 179.119 -1.051 18096 257 1 . 1 1 49 49 LEU CA C 49 58.308 58.308 57.868 0.440 18096 258 1 . 1 1 49 49 LEU CB C 49 41.946 41.946 41.564 0.382 18096 259 1 . 1 1 49 49 LEU H H 49 8.526 8.526 7.771 0.755 18096 260 1 . 1 1 50 50 THR N N 50 115.495 115.495 115.580 -0.085 18096 261 1 . 1 1 50 50 THR HA H 50 3.692 3.692 4.015 -0.323 18096 262 1 . 1 1 50 50 THR C C 50 176.061 176.061 176.837 -0.776 18096 263 1 . 1 1 50 50 THR CA C 50 68.786 68.786 66.782 2.004 18096 264 1 . 1 1 50 50 THR H H 50 7.996 7.996 7.808 0.188 18096 265 1 . 1 1 51 51 VAL N N 51 119.977 119.977 121.995 -2.018 18096 266 1 . 1 1 51 51 VAL HA H 51 3.496 3.496 3.606 -0.110 18096 267 1 . 1 1 51 51 VAL C C 51 177.063 177.063 177.892 -0.830 18096 268 1 . 1 1 51 51 VAL CA C 51 67.363 67.363 66.558 0.805 18096 269 1 . 1 1 51 51 VAL CB C 51 31.618 31.618 31.225 0.393 18096 270 1 . 1 1 51 51 VAL H H 51 8.145 8.145 7.791 0.354 18096 271 1 . 1 1 52 52 PHE N N 52 118.836 118.836 118.706 0.130 18096 272 1 . 1 1 52 52 PHE HA H 52 4.102 4.102 4.225 -0.123 18096 273 1 . 1 1 52 52 PHE C C 52 176.721 176.721 177.818 -1.097 18096 274 1 . 1 1 52 52 PHE CA C 52 61.639 61.639 61.978 -0.339 18096 275 1 . 1 1 52 52 PHE CB C 52 39.329 39.329 38.428 0.901 18096 276 1 . 1 1 52 52 PHE H H 52 8.354 8.354 7.623 0.731 18096 277 1 . 1 1 53 53 LEU N N 53 117.271 117.271 120.583 -3.312 18096 278 1 . 1 1 53 53 LEU HA H 53 3.872 3.872 3.949 -0.077 18096 279 1 . 1 1 53 53 LEU C C 53 179.184 179.184 178.693 0.491 18096 280 1 . 1 1 53 53 LEU CA C 53 57.857 57.857 58.507 -0.650 18096 281 1 . 1 1 53 53 LEU CB C 53 41.995 41.995 41.855 0.140 18096 282 1 . 1 1 53 53 LEU H H 53 8.438 8.438 7.943 0.495 18096 283 1 . 1 1 54 54 LEU N N 54 119.310 119.310 118.730 0.580 18096 284 1 . 1 1 54 54 LEU HA H 54 4.007 4.007 3.976 0.031 18096 285 1 . 1 1 54 54 LEU C C 54 179.224 179.224 179.003 0.221 18096 286 1 . 1 1 54 54 LEU CA C 54 58.088 58.088 57.939 0.149 18096 287 1 . 1 1 54 54 LEU CB C 54 42.029 42.029 41.663 0.366 18096 288 1 . 1 1 54 54 LEU H H 54 8.147 8.147 7.757 0.390 18096 289 1 . 1 1 55 55 LEU N N 55 118.400 118.400 120.347 -1.947 18096 290 1 . 1 1 55 55 LEU HA H 55 4.100 4.100 3.933 0.167 18096 291 1 . 1 1 55 55 LEU C C 55 178.974 178.974 179.024 -0.050 18096 292 1 . 1 1 55 55 LEU CA C 55 57.861 57.861 58.569 -0.708 18096 293 1 . 1 1 55 55 LEU CB C 55 41.972 41.972 42.123 -0.151 18096 294 1 . 1 1 55 55 LEU H H 55 8.096 8.096 7.540 0.556 18096 295 1 . 1 1 56 56 ILE N N 56 115.919 115.919 116.840 -0.921 18096 296 1 . 1 1 56 56 ILE HA H 56 3.856 3.856 3.946 -0.090 18096 297 1 . 1 1 56 56 ILE C C 56 176.763 176.763 177.830 -1.067 18096 298 1 . 1 1 56 56 ILE CA C 56 63.511 63.511 63.943 -0.432 18096 299 1 . 1 1 56 56 ILE CB C 56 37.689 37.689 37.863 -0.174 18096 300 1 . 1 1 56 56 ILE H H 56 8.028 8.028 7.757 0.271 18096 301 1 . 1 1 57 57 SER N N 57 114.862 114.862 114.933 -0.071 18096 302 1 . 1 1 57 57 SER HA H 57 4.178 4.178 4.197 -0.019 18096 303 1 . 1 1 57 57 SER C C 57 175.258 175.258 175.875 -0.617 18096 304 1 . 1 1 57 57 SER CA C 57 60.946 60.946 61.184 -0.239 18096 305 1 . 1 1 57 57 SER CB C 57 63.558 63.558 63.301 0.257 18096 306 1 . 1 1 57 57 SER H H 57 7.689 7.689 8.155 -0.466 18096 307 1 . 1 1 58 58 LYS N N 58 118.080 118.080 119.151 -1.071 18096 308 1 . 1 1 58 58 LYS HA H 58 4.287 4.287 4.331 -0.044 18096 309 1 . 1 1 58 58 LYS C C 58 176.668 176.668 176.857 -0.189 18096 310 1 . 1 1 58 58 LYS CA C 58 56.107 56.107 57.327 -1.220 18096 311 1 . 1 1 58 58 LYS CB C 58 32.064 32.064 33.613 -1.549 18096 312 1 . 1 1 58 58 LYS H H 58 7.595 7.595 7.534 0.061 18096 313 1 . 1 1 59 59 ILE N N 59 116.926 116.926 120.538 -3.612 18096 314 1 . 1 1 59 59 ILE HA H 59 4.034 4.034 4.182 -0.148 18096 315 1 . 1 1 59 59 ILE C C 59 175.226 175.226 174.901 0.325 18096 316 1 . 1 1 59 59 ILE CA C 59 62.384 62.384 60.169 2.215 18096 317 1 . 1 1 59 59 ILE CB C 59 38.073 38.073 38.799 -0.726 18096 318 1 . 1 1 59 59 ILE H H 59 7.706 7.706 7.497 0.209 18096 319 1 . 1 1 60 60 VAL N N 60 119.235 119.235 123.362 -4.127 18096 320 1 . 1 1 60 60 VAL HA H 60 4.326 4.326 4.278 0.048 18096 321 1 . 1 1 60 60 VAL CA C 60 59.747 59.747 59.924 -0.177 18096 322 1 . 1 1 60 60 VAL CB C 60 32.266 32.266 31.270 0.997 18096 323 1 . 1 1 60 60 VAL H H 60 7.586 7.586 8.068 -0.482 18096 324 1 . 1 1 61 61 PRO HA H 61 4.644 4.644 4.652 -0.008 18096 325 1 . 1 1 61 61 PRO CA C 61 61.521 61.521 61.471 0.050 18096 326 1 . 1 1 61 61 PRO CB C 61 31.136 31.136 31.101 0.035 18096 327 1 . 1 1 62 62 PRO HA H 62 4.491 4.491 4.362 0.129 18096 328 1 . 1 1 62 62 PRO C C 62 176.912 176.912 177.016 -0.104 18096 329 1 . 1 1 62 62 PRO CA C 62 63.243 63.243 64.446 -1.203 18096 330 1 . 1 1 62 62 PRO CB C 62 31.878 31.878 31.845 0.033 18096 331 1 . 1 1 63 63 THR N N 63 111.607 111.607 110.871 0.736 18096 332 1 . 1 1 63 63 THR HA H 63 4.447 4.447 4.263 0.184 18096 333 1 . 1 1 63 63 THR C C 63 174.725 174.725 174.329 0.396 18096 334 1 . 1 1 63 63 THR CA C 63 61.245 61.245 62.749 -1.504 18096 335 1 . 1 1 63 63 THR CB C 63 69.807 69.807 68.456 1.351 18096 336 1 . 1 1 63 63 THR H H 63 7.915 7.915 7.914 0.001 18096 337 1 . 1 1 64 64 SER N N 64 116.516 116.516 117.729 -1.213 18096 338 1 . 1 1 64 64 SER HA H 64 4.411 4.411 4.567 -0.156 18096 339 1 . 1 1 64 64 SER C C 64 174.580 174.580 173.982 0.598 18096 340 1 . 1 1 64 64 SER CA C 64 58.608 58.608 58.553 0.055 18096 341 1 . 1 1 64 64 SER CB C 64 63.742 63.742 63.935 -0.193 18096 342 1 . 1 1 64 64 SER H H 64 8.127 8.127 7.933 0.194 18096 343 1 . 1 1 65 65 SER N N 65 116.921 116.921 118.473 -1.552 18096 344 1 . 1 1 65 65 SER HA H 65 4.453 4.453 4.564 -0.111 18096 345 1 . 1 1 65 65 SER C C 65 174.100 174.100 174.132 -0.032 18096 346 1 . 1 1 65 65 SER CA C 65 58.584 58.584 58.778 -0.194 18096 347 1 . 1 1 65 65 SER CB C 65 63.668 63.668 64.077 -0.409 18096 348 1 . 1 1 65 65 SER H H 65 8.169 8.169 8.260 -0.091 18096 349 1 . 1 1 66 66 ASP N N 66 120.478 120.478 121.264 -0.786 18096 350 1 . 1 1 66 66 ASP HA H 66 4.624 4.624 4.696 -0.072 18096 351 1 . 1 1 66 66 ASP C C 66 175.730 175.730 175.458 0.272 18096 352 1 . 1 1 66 66 ASP CA C 66 54.245 54.245 54.706 -0.461 18096 353 1 . 1 1 66 66 ASP CB C 66 41.195 41.195 41.456 -0.261 18096 354 1 . 1 1 66 66 ASP H H 66 8.154 8.154 8.347 -0.193 18096 355 1 . 1 1 67 67 SER N N 67 115.159 115.159 115.772 -0.613 18096 356 1 . 1 1 67 67 SER HA H 67 4.528 4.528 4.639 -0.111 18096 357 1 . 1 1 67 67 SER CA C 67 56.493 56.493 57.001 -0.508 18096 358 1 . 1 1 67 67 SER CB C 67 63.604 63.604 63.835 -0.230 18096 359 1 . 1 1 67 67 SER H H 67 7.930 7.930 8.112 -0.182 18096 360 1 . 1 1 68 68 PRO HA H 68 4.395 4.395 4.593 -0.198 18096 361 1 . 1 1 68 68 PRO C C 68 176.652 176.652 176.750 -0.098 18096 362 1 . 1 1 68 68 PRO CA C 68 63.593 63.593 62.736 0.857 18096 363 1 . 1 1 68 68 PRO CB C 68 31.352 31.352 32.441 -1.089 18096 364 1 . 1 1 69 69 SER N N 69 115.859 115.859 115.823 0.036 18096 365 1 . 1 1 69 69 SER HA H 69 4.436 4.436 4.402 0.034 18096 366 1 . 1 1 69 69 SER C C 69 174.611 174.611 175.767 -1.156 18096 367 1 . 1 1 69 69 SER CA C 69 58.264 58.264 59.127 -0.863 18096 368 1 . 1 1 69 69 SER CB C 69 63.919 63.919 63.539 0.380 18096 369 1 . 1 1 69 69 SER H H 69 8.256 8.256 8.520 -0.264 18096 370 1 . 1 1 70 70 VAL N N 70 117.241 117.241 120.845 -3.605 18096 371 1 . 1 1 70 70 VAL HA H 70 3.802 3.802 4.025 -0.223 18096 372 1 . 1 1 70 70 VAL C C 70 177.772 177.772 177.529 0.243 18096 373 1 . 1 1 70 70 VAL CA C 70 66.644 66.644 65.135 1.509 18096 374 1 . 1 1 70 70 VAL CB C 70 31.896 31.896 31.330 0.566 18096 375 1 . 1 1 70 70 VAL H H 70 8.211 8.211 8.209 0.002 18096 376 1 . 1 1 71 71 GLY N N 71 106.999 106.999 107.287 -0.288 18096 377 1 . 1 1 71 71 GLY C C 71 175.551 175.551 175.828 -0.277 18096 378 1 . 1 1 71 71 GLY CA C 71 47.245 47.245 46.654 0.591 18096 379 1 . 1 1 71 71 GLY H H 71 8.566 8.566 8.319 0.247 18096 380 1 . 1 1 72 72 GLU N N 72 121.376 121.376 122.897 -1.521 18096 381 1 . 1 1 72 72 GLU HA H 72 3.889 3.889 3.885 0.005 18096 382 1 . 1 1 72 72 GLU C C 72 178.495 178.495 178.665 -0.170 18096 383 1 . 1 1 72 72 GLU CA C 72 60.118 60.118 59.481 0.637 18096 384 1 . 1 1 72 72 GLU CB C 72 29.590 29.590 29.307 0.283 18096 385 1 . 1 1 72 72 GLU H H 72 7.919 7.919 7.759 0.160 18096 386 1 . 1 1 73 73 TYR N N 73 117.643 117.643 118.191 -0.548 18096 387 1 . 1 1 73 73 TYR HA H 73 4.062 4.062 4.296 -0.234 18096 388 1 . 1 1 73 73 TYR C C 73 179.921 179.921 178.349 1.572 18096 389 1 . 1 1 73 73 TYR CA C 73 62.130 62.130 60.655 1.475 18096 390 1 . 1 1 73 73 TYR CB C 73 38.917 38.917 37.979 0.938 18096 391 1 . 1 1 73 73 TYR H H 73 8.095 8.095 7.578 0.517 18096 392 1 . 1 1 74 74 LEU N N 74 121.712 121.712 120.438 1.274 18096 393 1 . 1 1 74 74 LEU HA H 74 4.063 4.063 4.019 0.044 18096 394 1 . 1 1 74 74 LEU C C 74 178.385 178.385 178.775 -0.390 18096 395 1 . 1 1 74 74 LEU CA C 74 58.474 58.474 57.473 1.001 18096 396 1 . 1 1 74 74 LEU CB C 74 41.938 41.938 41.400 0.538 18096 397 1 . 1 1 74 74 LEU H H 74 8.615 8.615 7.826 0.789 18096 398 1 . 1 1 75 75 MET N N 75 119.087 119.087 119.338 -0.251 18096 399 1 . 1 1 75 75 MET HA H 75 4.056 4.056 3.998 0.058 18096 400 1 . 1 1 75 75 MET C C 75 177.851 177.851 178.396 -0.545 18096 401 1 . 1 1 75 75 MET CA C 75 59.166 59.166 59.347 -0.181 18096 402 1 . 1 1 75 75 MET CB C 75 32.093 32.093 32.216 -0.123 18096 403 1 . 1 1 75 75 MET H H 75 8.362 8.362 7.957 0.405 18096 404 1 . 1 1 76 76 PHE N N 76 117.788 117.788 117.011 0.777 18096 405 1 . 1 1 76 76 PHE HA H 76 4.105 4.105 4.288 -0.183 18096 406 1 . 1 1 76 76 PHE C C 76 177.305 177.305 177.802 -0.497 18096 407 1 . 1 1 76 76 PHE CA C 76 61.376 61.376 60.810 0.566 18096 408 1 . 1 1 76 76 PHE CB C 76 38.961 38.961 38.275 0.686 18096 409 1 . 1 1 76 76 PHE H H 76 8.471 8.471 7.797 0.674 18096 410 1 . 1 1 77 77 THR N N 77 115.298 115.298 116.835 -1.537 18096 411 1 . 1 1 77 77 THR HA H 77 3.673 3.673 4.012 -0.339 18096 412 1 . 1 1 77 77 THR C C 77 176.057 176.057 176.432 -0.375 18096 413 1 . 1 1 77 77 THR CA C 77 68.423 68.423 67.091 1.332 18096 414 1 . 1 1 77 77 THR CB C 77 68.204 68.204 68.807 -0.603 18096 415 1 . 1 1 77 77 THR H H 77 8.179 8.179 8.147 0.032 18096 416 1 . 1 1 78 78 MET N N 78 119.204 119.204 120.828 -1.624 18096 417 1 . 1 1 78 78 MET HA H 78 4.092 4.092 4.197 -0.105 18096 418 1 . 1 1 78 78 MET C C 78 179.421 179.421 178.335 1.086 18096 419 1 . 1 1 78 78 MET CA C 78 58.810 58.810 58.965 -0.155 18096 420 1 . 1 1 78 78 MET CB C 78 32.176 32.176 32.046 0.130 18096 421 1 . 1 1 78 78 MET H H 78 8.310 8.310 8.351 -0.041 18096 422 1 . 1 1 79 79 VAL N N 79 122.115 122.115 119.358 2.757 18096 423 1 . 1 1 79 79 VAL HA H 79 3.492 3.492 3.718 -0.226 18096 424 1 . 1 1 79 79 VAL C C 79 176.866 176.866 178.228 -1.362 18096 425 1 . 1 1 79 79 VAL CA C 79 67.374 67.374 66.520 0.854 18096 426 1 . 1 1 79 79 VAL CB C 79 31.615 31.615 31.257 0.358 18096 427 1 . 1 1 79 79 VAL H H 79 8.239 8.239 7.688 0.551 18096 428 1 . 1 1 80 80 LEU N N 80 120.240 120.240 120.406 -0.166 18096 429 1 . 1 1 80 80 LEU HA H 80 3.939 3.939 4.084 -0.145 18096 430 1 . 1 1 80 80 LEU C C 80 180.078 180.078 179.247 0.831 18096 431 1 . 1 1 80 80 LEU CA C 80 58.597 58.597 58.104 0.494 18096 432 1 . 1 1 80 80 LEU CB C 80 41.941 41.941 41.635 0.306 18096 433 1 . 1 1 80 80 LEU H H 80 8.058 8.058 7.516 0.542 18096 434 1 . 1 1 81 81 VAL N N 81 120.008 120.008 119.204 0.804 18096 435 1 . 1 1 81 81 VAL HA H 81 3.458 3.458 3.668 -0.210 18096 436 1 . 1 1 81 81 VAL C C 81 177.670 177.670 178.218 -0.548 18096 437 1 . 1 1 81 81 VAL CA C 81 67.337 67.337 67.063 0.274 18096 438 1 . 1 1 81 81 VAL CB C 81 31.615 31.615 31.408 0.207 18096 439 1 . 1 1 81 81 VAL H H 81 8.800 8.800 8.482 0.318 18096 440 1 . 1 1 82 82 THR N N 82 116.872 116.872 116.852 0.020 18096 441 1 . 1 1 82 82 THR HA H 82 3.676 3.676 3.987 -0.311 18096 442 1 . 1 1 82 82 THR C C 82 176.268 176.268 176.516 -0.248 18096 443 1 . 1 1 82 82 THR CA C 82 68.590 68.590 67.129 1.461 18096 444 1 . 1 1 82 82 THR CB C 82 68.468 68.468 68.685 -0.217 18096 445 1 . 1 1 82 82 THR H H 82 8.109 8.109 8.196 -0.087 18096 446 1 . 1 1 83 83 PHE N N 83 119.777 119.777 120.860 -1.083 18096 447 1 . 1 1 83 83 PHE HA H 83 4.081 4.081 4.267 -0.186 18096 448 1 . 1 1 83 83 PHE C C 83 178.015 178.015 177.453 0.562 18096 449 1 . 1 1 83 83 PHE CA C 83 61.612 61.612 61.378 0.234 18096 450 1 . 1 1 83 83 PHE CB C 83 38.686 38.686 38.836 -0.150 18096 451 1 . 1 1 83 83 PHE H H 83 8.754 8.754 7.858 0.896 18096 452 1 . 1 1 84 84 SER N N 84 117.769 117.769 115.832 1.937 18096 453 1 . 1 1 84 84 SER HA H 84 4.091 4.091 4.195 -0.104 18096 454 1 . 1 1 84 84 SER C C 84 175.899 175.899 176.703 -0.804 18096 455 1 . 1 1 84 84 SER CA C 84 63.269 63.269 61.827 1.442 18096 456 1 . 1 1 84 84 SER CB C 84 62.962 62.962 63.266 -0.304 18096 457 1 . 1 1 84 84 SER H H 84 8.335 8.335 7.991 0.344 18096 458 1 . 1 1 85 85 ILE N N 85 122.986 122.986 121.985 1.001 18096 459 1 . 1 1 85 85 ILE HA H 85 3.649 3.649 3.815 -0.166 18096 460 1 . 1 1 85 85 ILE C C 85 177.778 177.778 177.925 -0.147 18096 461 1 . 1 1 85 85 ILE CA C 85 65.504 65.504 63.881 1.623 18096 462 1 . 1 1 85 85 ILE CB C 85 38.115 38.115 36.852 1.263 18096 463 1 . 1 1 85 85 ILE H H 85 8.187 8.187 7.941 0.246 18096 464 1 . 1 1 86 86 VAL N N 86 117.289 117.289 119.371 -2.082 18096 465 1 . 1 1 86 86 VAL HA H 86 3.509 3.509 3.575 -0.066 18096 466 1 . 1 1 86 86 VAL C C 86 177.816 177.816 178.143 -0.327 18096 467 1 . 1 1 86 86 VAL CA C 86 67.047 67.047 67.086 -0.039 18096 468 1 . 1 1 86 86 VAL CB C 86 31.597 31.597 31.115 0.482 18096 469 1 . 1 1 86 86 VAL H H 86 8.367 8.367 7.819 0.548 18096 470 1 . 1 1 87 87 THR N N 87 116.788 116.788 114.284 2.504 18096 471 1 . 1 1 87 87 THR HA H 87 3.758 3.758 3.894 -0.136 18096 472 1 . 1 1 87 87 THR C C 87 176.095 176.095 176.750 -0.655 18096 473 1 . 1 1 87 87 THR CA C 87 67.248 67.248 66.260 0.988 18096 474 1 . 1 1 87 87 THR H H 87 8.007 8.007 7.615 0.392 18096 475 1 . 1 1 88 88 SER N N 88 116.157 116.157 118.256 -2.099 18096 476 1 . 1 1 88 88 SER HA H 88 4.018 4.018 4.173 -0.155 18096 477 1 . 1 1 88 88 SER C C 88 174.932 174.932 176.515 -1.583 18096 478 1 . 1 1 88 88 SER CA C 88 62.717 62.717 61.955 0.762 18096 479 1 . 1 1 88 88 SER CB C 88 62.954 62.954 62.948 0.006 18096 480 1 . 1 1 88 88 SER H H 88 7.662 7.662 7.895 -0.233 18096 481 1 . 1 1 89 89 VAL N N 89 117.956 117.956 120.929 -2.973 18096 482 1 . 1 1 89 89 VAL HA H 89 3.516 3.516 3.790 -0.274 18096 483 1 . 1 1 89 89 VAL CA C 89 67.266 67.266 65.781 1.485 18096 484 1 . 1 1 89 89 VAL H H 89 8.274 8.274 7.882 0.392 18096 485 1 . 1 1 90 90 CYS N N 90 116.319 116.319 118.226 -1.907 18096 486 1 . 1 1 90 90 CYS HA H 90 4.229 4.229 4.144 0.085 18096 487 1 . 1 1 90 90 CYS C C 90 175.174 175.174 176.378 -1.204 18096 488 1 . 1 1 90 90 CYS CA C 90 62.618 62.618 62.896 -0.278 18096 489 1 . 1 1 90 90 CYS CB C 90 26.791 26.791 27.225 -0.434 18096 490 1 . 1 1 90 90 CYS H H 90 7.654 7.654 7.630 0.024 18096 491 1 . 1 1 91 91 VAL N N 91 115.534 115.534 118.317 -2.783 18096 492 1 . 1 1 91 91 VAL HA H 91 3.626 3.626 3.823 -0.197 18096 493 1 . 1 1 91 91 VAL C C 91 176.038 176.038 177.560 -1.521 18096 494 1 . 1 1 91 91 VAL CA C 91 63.608 63.608 65.383 -1.775 18096 495 1 . 1 1 91 91 VAL CB C 91 31.922 31.922 31.926 -0.004 18096 496 1 . 1 1 91 91 VAL H H 91 7.760 7.760 7.557 0.203 18096 497 1 . 1 1 92 92 LEU N N 92 119.713 119.713 119.576 0.137 18096 498 1 . 1 1 92 92 LEU HA H 92 4.240 4.240 4.070 0.170 18096 499 1 . 1 1 92 92 LEU C C 92 176.769 176.769 177.263 -0.494 18096 500 1 . 1 1 92 92 LEU CA C 92 55.590 55.590 57.043 -1.453 18096 501 1 . 1 1 92 92 LEU CB C 92 41.932 41.932 42.513 -0.581 18096 502 1 . 1 1 92 92 LEU H H 92 7.732 7.732 7.519 0.213 18096 503 1 . 1 1 93 93 ASN N N 93 117.817 117.817 115.005 2.812 18096 504 1 . 1 1 93 93 ASN HA H 93 4.676 4.676 4.787 -0.111 18096 505 1 . 1 1 93 93 ASN C C 93 174.955 174.955 173.533 1.422 18096 506 1 . 1 1 93 93 ASN CA C 93 53.255 53.255 52.926 0.329 18096 507 1 . 1 1 93 93 ASN CB C 93 39.508 39.508 40.176 -0.668 18096 508 1 . 1 1 93 93 ASN H H 93 7.916 7.916 7.932 -0.016 18096 509 1 . 1 1 94 94 VAL N N 94 118.650 118.650 121.211 -2.561 18096 510 1 . 1 1 94 94 VAL HA H 94 4.024 4.024 4.287 -0.263 18096 511 1 . 1 1 94 94 VAL C C 94 175.740 175.740 174.473 1.267 18096 512 1 . 1 1 94 94 VAL CA C 94 62.532 62.532 61.766 0.766 18096 513 1 . 1 1 94 94 VAL CB C 94 32.632 32.632 33.729 -1.097 18096 514 1 . 1 1 94 94 VAL H H 94 7.730 7.730 8.161 -0.431 18096 515 1 . 1 1 95 95 HIS N N 95 121.293 121.293 124.987 -3.694 18096 516 1 . 1 1 95 95 HIS HA H 95 4.619 4.619 4.765 -0.146 18096 517 1 . 1 1 95 95 HIS C C 95 174.146 174.146 174.101 0.045 18096 518 1 . 1 1 95 95 HIS CA C 95 55.582 55.582 55.967 -0.385 18096 519 1 . 1 1 95 95 HIS CB C 95 29.755 29.755 30.881 -1.126 18096 520 1 . 1 1 95 95 HIS H H 95 8.341 8.341 8.499 -0.158 18096 521 1 . 1 1 96 96 HIS N N 96 122.728 122.728 121.320 1.408 18096 522 1 . 1 1 96 96 HIS HA H 96 4.635 4.635 4.575 0.060 18096 523 1 . 1 1 96 96 HIS CA C 96 55.582 55.582 56.219 -0.637 18096 524 1 . 1 1 96 96 HIS CB C 96 29.773 29.773 30.342 -0.569 18096 525 1 . 1 1 96 96 HIS H H 96 8.333 8.333 8.448 -0.115 18096 526 1 . 1 1 97 97 ARG HA H 97 4.295 4.295 4.449 -0.154 18096 527 1 . 1 1 97 97 ARG C C 97 175.776 175.776 175.094 0.682 18096 528 1 . 1 1 97 97 ARG CA C 97 56.230 56.230 56.151 0.079 18096 529 1 . 1 1 97 97 ARG CB C 97 31.030 31.030 31.020 0.010 18096 530 1 . 1 1 98 98 SER N N 98 118.439 118.439 118.172 0.267 18096 531 1 . 1 1 98 98 SER HA H 98 4.736 4.736 4.810 -0.074 18096 532 1 . 1 1 98 98 SER CA C 98 56.614 56.614 56.662 -0.048 18096 533 1 . 1 1 98 98 SER CB C 98 63.622 63.622 64.262 -0.640 18096 534 1 . 1 1 98 98 SER H H 98 8.250 8.250 8.313 -0.063 18096 535 1 . 1 1 99 99 PRO HA H 99 4.394 4.394 4.426 -0.032 18096 536 1 . 1 1 99 99 PRO C C 99 176.879 176.879 176.718 0.161 18096 537 1 . 1 1 99 99 PRO CA C 99 63.697 63.697 64.228 -0.531 18096 538 1 . 1 1 99 99 PRO CB C 99 32.046 32.046 32.168 -0.122 18096 539 1 . 1 1 100 100 GLU N N 100 120.297 120.297 118.284 2.013 18096 540 1 . 1 1 100 100 GLU HA H 100 4.299 4.299 4.493 -0.194 18096 541 1 . 1 1 100 100 GLU C C 100 176.576 176.576 175.479 1.097 18096 542 1 . 1 1 100 100 GLU CA C 100 56.467 56.467 55.760 0.707 18096 543 1 . 1 1 100 100 GLU CB C 100 29.944 29.944 31.364 -1.420 18096 544 1 . 1 1 100 100 GLU H H 100 8.391 8.391 8.012 0.379 18096 545 1 . 1 1 101 101 THR N N 101 114.144 114.144 115.300 -1.156 18096 546 1 . 1 1 101 101 THR HA H 101 4.280 4.280 4.471 -0.191 18096 547 1 . 1 1 101 101 THR C C 101 174.515 174.515 174.203 0.312 18096 548 1 . 1 1 101 101 THR CA C 101 61.975 61.975 61.840 0.135 18096 549 1 . 1 1 101 101 THR CB C 101 69.817 69.817 69.337 0.480 18096 550 1 . 1 1 101 101 THR H H 101 7.946 7.946 8.330 -0.384 18096 551 1 . 1 1 102 102 HIS N N 102 120.429 120.429 122.423 -1.994 18096 552 1 . 1 1 102 102 HIS HA H 102 4.750 4.750 4.693 0.057 18096 553 1 . 1 1 102 102 HIS C C 102 174.764 174.764 174.921 -0.157 18096 554 1 . 1 1 102 102 HIS CA C 102 55.685 55.685 55.975 -0.290 18096 555 1 . 1 1 102 102 HIS CB C 102 29.245 29.245 30.670 -1.425 18096 556 1 . 1 1 102 102 HIS H H 102 8.459 8.459 8.344 0.115 18096 557 1 . 1 1 103 103 THR N N 103 114.319 114.319 115.834 -1.515 18096 558 1 . 1 1 103 103 THR HA H 103 4.345 4.345 4.443 -0.098 18096 559 1 . 1 1 103 103 THR C C 103 175.087 175.087 174.656 0.431 18096 560 1 . 1 1 103 103 THR CA C 103 61.976 61.976 61.986 -0.010 18096 561 1 . 1 1 103 103 THR CB C 103 69.831 69.831 69.659 0.172 18096 562 1 . 1 1 103 103 THR H H 103 8.068 8.068 8.206 -0.138 18096 563 1 . 1 1 104 104 GLY N N 104 111.143 111.143 111.084 0.059 18096 564 1 . 1 1 104 104 GLY C C 104 174.757 174.757 173.981 0.776 18096 565 1 . 1 1 104 104 GLY CA C 104 45.602 45.602 44.971 0.631 18096 566 1 . 1 1 104 104 GLY H H 104 8.389 8.389 8.471 -0.082 18096 567 1 . 1 1 105 105 GLY N N 105 108.642 108.642 108.409 0.233 18096 568 1 . 1 1 105 105 GLY C C 105 174.892 174.892 174.487 0.405 18096 569 1 . 1 1 105 105 GLY CA C 105 45.602 45.602 45.068 0.534 18096 570 1 . 1 1 105 105 GLY H H 105 8.272 8.272 8.597 -0.325 18096 571 1 . 1 1 106 106 GLY N N 106 108.820 108.820 108.564 0.256 18096 572 1 . 1 1 106 106 GLY C C 106 174.886 174.886 174.460 0.426 18096 573 1 . 1 1 106 106 GLY CA C 106 45.602 45.602 44.976 0.626 18096 574 1 . 1 1 106 106 GLY H H 106 8.359 8.359 8.397 -0.038 18096 575 1 . 1 1 107 107 GLY N N 107 108.550 108.550 107.850 0.700 18096 576 1 . 1 1 107 107 GLY C C 107 174.886 174.886 174.970 -0.084 18096 577 1 . 1 1 107 107 GLY CA C 107 45.602 45.602 44.936 0.666 18096 578 1 . 1 1 107 107 GLY H H 107 8.338 8.338 8.319 0.019 18096 579 1 . 1 1 108 108 GLY N N 108 108.519 108.519 108.714 -0.195 18096 580 1 . 1 1 108 108 GLY C C 108 175.411 175.411 175.475 -0.064 18096 581 1 . 1 1 108 108 GLY CA C 108 45.807 45.807 44.735 1.072 18096 582 1 . 1 1 108 108 GLY H H 108 8.336 8.336 8.299 0.037 18096 583 1 . 1 1 109 109 ILE N N 109 120.914 120.914 121.627 -0.713 18096 584 1 . 1 1 109 109 ILE HA H 109 3.976 3.976 3.832 0.144 18096 585 1 . 1 1 109 109 ILE C C 109 176.019 176.019 176.140 -0.121 18096 586 1 . 1 1 109 109 ILE CA C 109 62.927 62.927 64.073 -1.146 18096 587 1 . 1 1 109 109 ILE CB C 109 38.073 38.073 37.791 0.282 18096 588 1 . 1 1 109 109 ILE H H 109 8.233 8.233 8.123 0.110 18096 589 1 . 1 1 110 110 ASP N N 110 121.149 121.149 119.733 1.416 18096 590 1 . 1 1 110 110 ASP HA H 110 4.252 4.252 4.470 -0.218 18096 591 1 . 1 1 110 110 ASP C C 110 177.648 177.648 178.709 -1.061 18096 592 1 . 1 1 110 110 ASP CA C 110 56.801 56.801 57.763 -0.962 18096 593 1 . 1 1 110 110 ASP CB C 110 40.181 40.181 40.025 0.156 18096 594 1 . 1 1 110 110 ASP H H 110 8.369 8.369 8.609 -0.240 18096 595 1 . 1 1 111 111 ARG N N 111 119.198 119.198 120.106 -0.908 18096 596 1 . 1 1 111 111 ARG HA H 111 3.989 3.989 4.174 -0.185 18096 597 1 . 1 1 111 111 ARG C C 111 177.502 177.502 178.866 -1.364 18096 598 1 . 1 1 111 111 ARG CA C 111 58.720 58.720 58.538 0.182 18096 599 1 . 1 1 111 111 ARG CB C 111 30.103 30.103 29.924 0.179 18096 600 1 . 1 1 111 111 ARG H H 111 7.835 7.835 7.994 -0.159 18096 601 1 . 1 1 112 112 LEU N N 112 118.935 118.935 120.773 -1.838 18096 602 1 . 1 1 112 112 LEU HA H 112 4.003 4.003 4.114 -0.111 18096 603 1 . 1 1 112 112 LEU C C 112 178.356 178.356 178.482 -0.126 18096 604 1 . 1 1 112 112 LEU CA C 112 58.235 58.235 58.452 -0.217 18096 605 1 . 1 1 112 112 LEU CB C 112 41.743 41.743 41.893 -0.150 18096 606 1 . 1 1 112 112 LEU H H 112 7.783 7.783 8.178 -0.395 18096 607 1 . 1 1 113 113 PHE N N 113 116.117 116.117 119.256 -3.139 18096 608 1 . 1 1 113 113 PHE HA H 113 4.084 4.084 4.224 -0.140 18096 609 1 . 1 1 113 113 PHE C C 113 177.092 177.092 177.490 -0.398 18096 610 1 . 1 1 113 113 PHE CA C 113 62.392 62.392 61.150 1.242 18096 611 1 . 1 1 113 113 PHE CB C 113 38.891 38.891 38.916 -0.025 18096 612 1 . 1 1 113 113 PHE H H 113 8.072 8.072 7.962 0.110 18096 613 1 . 1 1 114 114 LEU N N 114 118.710 118.710 120.179 -1.469 18096 614 1 . 1 1 114 114 LEU HA H 114 4.001 4.001 3.756 0.245 18096 615 1 . 1 1 114 114 LEU C C 114 178.210 178.210 178.485 -0.275 18096 616 1 . 1 1 114 114 LEU CA C 114 58.509 58.509 58.692 -0.183 18096 617 1 . 1 1 114 114 LEU CB C 114 41.784 41.784 41.581 0.203 18096 618 1 . 1 1 114 114 LEU H H 114 7.881 7.881 7.903 -0.022 18096 619 1 . 1 1 115 115 TRP N N 115 117.801 117.801 121.119 -3.318 18096 620 1 . 1 1 115 115 TRP HA H 115 4.282 4.282 4.371 -0.089 18096 621 1 . 1 1 115 115 TRP C C 115 178.536 178.536 178.669 -0.133 18096 622 1 . 1 1 115 115 TRP CA C 115 60.744 60.744 60.967 -0.224 18096 623 1 . 1 1 115 115 TRP CB C 115 29.125 29.125 29.720 -0.595 18096 624 1 . 1 1 115 115 TRP H H 115 7.925 7.925 8.061 -0.136 18096 625 1 . 1 1 116 116 ILE N N 116 118.212 118.212 117.488 0.724 18096 626 1 . 1 1 116 116 ILE HA H 116 3.694 3.694 3.633 0.061 18096 627 1 . 1 1 116 116 ILE C C 116 177.423 177.423 177.640 -0.217 18096 628 1 . 1 1 116 116 ILE CA C 116 65.987 65.987 64.833 1.154 18096 629 1 . 1 1 116 116 ILE CB C 116 38.151 38.151 37.546 0.605 18096 630 1 . 1 1 116 116 ILE H H 116 8.355 8.355 8.261 0.094 18096 631 1 . 1 1 117 117 PHE N N 117 119.509 119.509 120.698 -1.189 18096 632 1 . 1 1 117 117 PHE HA H 117 4.094 4.094 4.208 -0.114 18096 633 1 . 1 1 117 117 PHE C C 117 177.389 177.389 176.955 0.434 18096 634 1 . 1 1 117 117 PHE CA C 117 61.945 61.945 60.895 1.050 18096 635 1 . 1 1 117 117 PHE CB C 117 38.939 38.939 38.948 -0.009 18096 636 1 . 1 1 117 117 PHE H H 117 8.419 8.419 7.463 0.956 18096 637 1 . 1 1 118 118 VAL N N 118 118.927 118.927 119.123 -0.196 18096 638 1 . 1 1 118 118 VAL HA H 118 3.510 3.510 3.454 0.056 18096 639 1 . 1 1 118 118 VAL C C 118 177.452 177.452 177.840 -0.388 18096 640 1 . 1 1 118 118 VAL CA C 118 67.440 67.440 66.286 1.154 18096 641 1 . 1 1 118 118 VAL CB C 118 31.462 31.462 31.196 0.266 18096 642 1 . 1 1 118 118 VAL H H 118 8.509 8.509 7.839 0.670 18096 643 1 . 1 1 119 119 PHE N N 119 118.638 118.638 120.735 -2.097 18096 644 1 . 1 1 119 119 PHE HA H 119 4.040 4.040 4.103 -0.063 18096 645 1 . 1 1 119 119 PHE C C 119 177.403 177.403 177.315 0.088 18096 646 1 . 1 1 119 119 PHE CA C 119 62.603 62.603 61.860 0.743 18096 647 1 . 1 1 119 119 PHE CB C 119 39.145 39.145 38.899 0.246 18096 648 1 . 1 1 119 119 PHE H H 119 8.477 8.477 7.956 0.521 18096 649 1 . 1 1 120 120 VAL N N 120 118.660 118.660 119.031 -0.371 18096 650 1 . 1 1 120 120 VAL HA H 120 3.467 3.467 3.618 -0.151 18096 651 1 . 1 1 120 120 VAL C C 120 177.851 177.851 177.371 0.480 18096 652 1 . 1 1 120 120 VAL CA C 120 67.436 67.436 65.579 1.857 18096 653 1 . 1 1 120 120 VAL CB C 120 31.659 31.659 31.559 0.100 18096 654 1 . 1 1 120 120 VAL H H 120 8.705 8.705 7.667 1.038 18096 655 1 . 1 1 121 121 CYS N N 121 117.055 117.055 118.135 -1.080 18096 656 1 . 1 1 121 121 CYS HA H 121 3.902 3.902 4.070 -0.168 18096 657 1 . 1 1 121 121 CYS C C 121 177.629 177.629 176.364 1.265 18096 658 1 . 1 1 121 121 CYS CA C 121 64.339 64.339 62.524 1.815 18096 659 1 . 1 1 121 121 CYS CB C 121 26.789 26.789 26.755 0.034 18096 660 1 . 1 1 121 121 CYS H H 121 7.981 7.981 7.820 0.161 18096 661 1 . 1 1 122 122 VAL N N 122 120.422 120.422 121.198 -0.776 18096 662 1 . 1 1 122 122 VAL HA H 122 3.479 3.479 3.618 -0.139 18096 663 1 . 1 1 122 122 VAL C C 122 176.923 176.923 177.937 -1.014 18096 664 1 . 1 1 122 122 VAL CA C 122 67.261 67.261 66.584 0.677 18096 665 1 . 1 1 122 122 VAL CB C 122 32.126 32.126 31.454 0.672 18096 666 1 . 1 1 122 122 VAL H H 122 8.487 8.487 7.820 0.667 18096 667 1 . 1 1 123 123 PHE N N 123 117.927 117.927 119.799 -1.872 18096 668 1 . 1 1 123 123 PHE HA H 123 4.034 4.034 4.089 -0.055 18096 669 1 . 1 1 123 123 PHE C C 123 178.151 178.151 177.332 0.819 18096 670 1 . 1 1 123 123 PHE CA C 123 62.094 62.094 61.427 0.667 18096 671 1 . 1 1 123 123 PHE CB C 123 38.637 38.637 38.609 0.029 18096 672 1 . 1 1 123 123 PHE H H 123 8.630 8.630 8.181 0.449 18096 673 1 . 1 1 124 124 GLY N N 124 106.539 106.539 106.070 0.469 18096 674 1 . 1 1 124 124 GLY C C 124 174.290 174.290 175.705 -1.414 18096 675 1 . 1 1 124 124 GLY CA C 124 47.551 47.551 47.163 0.388 18096 676 1 . 1 1 124 124 GLY H H 124 8.689 8.689 7.902 0.787 18096 677 1 . 1 1 125 125 THR N N 125 117.059 117.059 118.122 -1.063 18096 678 1 . 1 1 125 125 THR HA H 125 3.649 3.649 3.926 -0.277 18096 679 1 . 1 1 125 125 THR C C 125 176.231 176.231 176.649 -0.418 18096 680 1 . 1 1 125 125 THR CA C 125 67.989 67.989 66.651 1.338 18096 681 1 . 1 1 125 125 THR H H 125 7.553 7.553 7.929 -0.376 18096 682 1 . 1 1 126 126 ILE N N 126 119.538 119.538 120.661 -1.123 18096 683 1 . 1 1 126 126 ILE HA H 126 3.648 3.648 3.735 -0.087 18096 684 1 . 1 1 126 126 ILE C C 126 177.976 177.976 178.149 -0.173 18096 685 1 . 1 1 126 126 ILE CA C 126 65.715 65.715 63.899 1.816 18096 686 1 . 1 1 126 126 ILE CB C 126 37.830 37.830 36.915 0.915 18096 687 1 . 1 1 126 126 ILE H H 126 8.003 8.003 7.969 0.034 18096 688 1 . 1 1 127 127 GLY N N 127 105.404 105.404 108.045 -2.641 18096 689 1 . 1 1 127 127 GLY C C 127 174.597 174.597 176.030 -1.433 18096 690 1 . 1 1 127 127 GLY CA C 127 47.569 47.569 46.907 0.662 18096 691 1 . 1 1 127 127 GLY H H 127 8.438 8.438 7.715 0.723 18096 692 1 . 1 1 128 128 MET N N 128 117.893 117.893 118.874 -0.981 18096 693 1 . 1 1 128 128 MET HA H 128 4.153 4.153 4.341 -0.188 18096 694 1 . 1 1 128 128 MET C C 128 177.815 177.815 177.874 -0.059 18096 695 1 . 1 1 128 128 MET CA C 128 58.198 58.198 57.635 0.563 18096 696 1 . 1 1 128 128 MET CB C 128 32.113 32.113 32.666 -0.553 18096 697 1 . 1 1 128 128 MET H H 128 7.821 7.821 7.539 0.282 18096 698 1 . 1 1 129 129 PHE N N 129 116.018 116.018 120.656 -4.638 18096 699 1 . 1 1 129 129 PHE HA H 129 4.134 4.134 4.290 -0.156 18096 700 1 . 1 1 129 129 PHE C C 129 175.863 175.863 175.834 0.029 18096 701 1 . 1 1 129 129 PHE CA C 129 59.815 59.815 60.304 -0.489 18096 702 1 . 1 1 129 129 PHE CB C 129 39.090 39.090 39.375 -0.285 18096 703 1 . 1 1 129 129 PHE H H 129 7.797 7.797 8.041 -0.244 18096 704 1 . 1 1 130 130 LEU N N 130 115.806 115.806 117.796 -1.990 18096 705 1 . 1 1 130 130 LEU HA H 130 4.338 4.338 4.173 0.165 18096 706 1 . 1 1 130 130 LEU C C 130 177.219 177.219 177.352 -0.133 18096 707 1 . 1 1 130 130 LEU CA C 130 55.467 55.467 54.724 0.743 18096 708 1 . 1 1 130 130 LEU CB C 130 42.424 42.424 42.128 0.296 18096 709 1 . 1 1 130 130 LEU H H 130 7.745 7.745 7.603 0.142 18096 710 1 . 1 1 131 131 GLN N N 131 118.630 118.630 119.634 -1.004 18096 711 1 . 1 1 131 131 GLN HA H 131 4.104 4.104 4.116 -0.012 18096 712 1 . 1 1 131 131 GLN CA C 131 60.319 60.319 58.056 2.263 18096 713 1 . 1 1 131 131 GLN CB C 131 26.821 26.821 27.398 -0.577 18096 714 1 . 1 1 131 131 GLN H H 131 7.808 7.808 7.426 0.382 18096 715 1 . 1 1 132 132 PRO HA H 132 4.373 4.373 4.380 -0.007 18096 716 1 . 1 1 132 132 PRO C C 132 177.739 177.739 176.996 0.743 18096 717 1 . 1 1 132 132 PRO CA C 132 65.383 65.383 62.556 2.827 18096 718 1 . 1 1 132 132 PRO CB C 132 31.526 31.526 32.192 -0.666 18096 719 1 . 1 1 133 133 LEU N N 133 115.632 115.632 117.270 -1.638 18096 720 1 . 1 1 133 133 LEU HA H 133 4.064 4.064 4.155 -0.091 18096 721 1 . 1 1 133 133 LEU C C 133 176.918 176.918 176.340 0.578 18096 722 1 . 1 1 133 133 LEU CA C 133 56.401 56.401 56.799 -0.398 18096 723 1 . 1 1 133 133 LEU CB C 133 41.989 41.989 42.127 -0.138 18096 724 1 . 1 1 133 133 LEU H H 133 7.689 7.689 8.276 -0.587 18096 725 1 . 1 1 134 134 PHE N N 134 114.807 114.807 115.975 -1.168 18096 726 1 . 1 1 134 134 PHE HA H 134 4.529 4.529 4.582 -0.053 18096 727 1 . 1 1 134 134 PHE C C 134 175.245 175.245 175.017 0.228 18096 728 1 . 1 1 134 134 PHE CA C 134 57.738 57.738 57.656 0.082 18096 729 1 . 1 1 134 134 PHE CB C 134 39.609 39.609 39.900 -0.291 18096 730 1 . 1 1 134 134 PHE H H 134 7.679 7.679 7.437 0.242 18096 731 1 . 1 1 135 135 GLN N N 135 118.318 118.318 119.376 -1.058 18096 732 1 . 1 1 135 135 GLN HA H 135 4.315 4.315 4.164 0.151 18096 733 1 . 1 1 135 135 GLN C C 135 175.361 175.361 175.497 -0.136 18096 734 1 . 1 1 135 135 GLN CA C 135 56.107 56.107 57.305 -1.198 18096 735 1 . 1 1 135 135 GLN CB C 135 29.866 29.866 29.248 0.618 18096 736 1 . 1 1 135 135 GLN H H 135 7.651 7.651 8.668 -1.017 18096 737 1 . 1 1 136 136 GLU N N 136 120.684 120.684 119.925 0.759 18096 738 1 . 1 1 136 136 GLU HA H 136 4.311 4.311 4.289 0.022 18096 739 1 . 1 1 136 136 GLU C C 136 175.153 175.153 175.631 -0.478 18096 740 1 . 1 1 136 136 GLU CA C 136 56.475 56.475 56.619 -0.144 18096 741 1 . 1 1 136 136 GLU CB C 136 30.232 30.232 28.736 1.496 18096 742 1 . 1 1 136 136 GLU H H 136 8.109 8.109 8.571 -0.462 18096 stop_ save_