data_19731 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19731 _Entry.PDB_ID 2MJL 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 19731 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 122.420 122.420 117.199 5.221 19731 2 1 1 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.550 -0.383 19731 3 1 1 . 1 1 2 2 VAL C C 2 175.919 175.919 175.803 0.116 19731 4 1 1 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.723 0.444 19731 5 1 1 . 1 1 2 2 VAL CB C 2 33.109 33.109 33.985 -0.876 19731 6 1 1 . 1 1 2 2 VAL H H 2 8.260 8.260 7.827 0.433 19731 7 1 1 . 1 1 3 3 SER N N 3 119.915 119.915 119.823 0.092 19731 8 1 1 . 1 1 3 3 SER HA H 3 4.134 4.134 4.459 -0.325 19731 9 1 1 . 1 1 3 3 SER C C 3 173.731 173.731 175.286 -1.555 19731 10 1 1 . 1 1 3 3 SER CA C 3 58.253 58.253 60.018 -1.765 19731 11 1 1 . 1 1 3 3 SER CB C 3 63.811 63.811 63.856 -0.045 19731 12 1 1 . 1 1 3 3 SER H H 3 8.381 8.381 9.046 -0.665 19731 13 1 1 . 1 1 4 4 GLN N N 4 123.810 123.810 120.292 3.518 19731 14 1 1 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.800 -0.331 19731 15 1 1 . 1 1 4 4 GLN C C 4 174.067 174.067 173.741 0.326 19731 16 1 1 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.453 0.025 19731 17 1 1 . 1 1 4 4 GLN CB C 4 29.394 29.394 30.085 -0.691 19731 18 1 1 . 1 1 4 4 GLN H H 4 8.412 8.412 8.454 -0.042 19731 19 1 1 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.458 -0.112 19731 20 1 1 . 1 1 5 5 PRO C C 5 176.242 176.242 176.160 0.082 19731 21 1 1 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.349 1.979 19731 22 1 1 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.556 -0.009 19731 23 1 1 . 1 1 6 6 ILE N N 6 114.232 114.232 119.241 -5.009 19731 24 1 1 . 1 1 6 6 ILE HA H 6 4.171 4.171 4.147 0.024 19731 25 1 1 . 1 1 6 6 ILE C C 6 175.577 175.577 176.403 -0.826 19731 26 1 1 . 1 1 6 6 ILE CA C 6 59.036 59.036 61.254 -2.218 19731 27 1 1 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.257 0.427 19731 28 1 1 . 1 1 6 6 ILE H H 6 7.745 7.745 8.320 -0.575 19731 29 1 1 . 1 1 7 7 LYS N N 7 121.791 121.791 124.892 -3.101 19731 30 1 1 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.618 -0.130 19731 31 1 1 . 1 1 7 7 LYS C C 7 175.898 175.898 175.360 0.538 19731 32 1 1 . 1 1 7 7 LYS CA C 7 56.766 56.766 54.900 1.866 19731 33 1 1 . 1 1 7 7 LYS CB C 7 37.281 37.281 33.773 3.508 19731 34 1 1 . 1 1 7 7 LYS H H 7 9.462 9.462 8.604 0.858 19731 35 1 1 . 1 1 8 8 LEU N N 8 122.642 122.642 119.060 3.582 19731 36 1 1 . 1 1 8 8 LEU HA H 8 5.187 5.187 4.878 0.309 19731 37 1 1 . 1 1 8 8 LEU C C 8 171.543 171.543 173.861 -2.318 19731 38 1 1 . 1 1 8 8 LEU CA C 8 53.219 53.219 55.371 -2.152 19731 39 1 1 . 1 1 8 8 LEU CB C 8 45.875 45.875 46.004 -0.129 19731 40 1 1 . 1 1 8 8 LEU H H 8 7.532 7.532 7.356 0.176 19731 41 1 1 . 1 1 9 9 LEU N N 9 128.904 128.904 126.271 2.633 19731 42 1 1 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.615 -0.064 19731 43 1 1 . 1 1 9 9 LEU C C 9 173.410 173.410 174.487 -1.077 19731 44 1 1 . 1 1 9 9 LEU CA C 9 53.063 53.063 53.743 -0.680 19731 45 1 1 . 1 1 9 9 LEU CB C 9 45.563 45.563 46.537 -0.974 19731 46 1 1 . 1 1 9 9 LEU H H 9 8.900 8.900 9.293 -0.393 19731 47 1 1 . 1 1 10 10 VAL N N 10 126.431 126.431 124.760 1.671 19731 48 1 1 . 1 1 10 10 VAL HA H 10 5.344 5.344 4.995 0.349 19731 49 1 1 . 1 1 10 10 VAL C C 10 174.353 174.353 174.924 -0.571 19731 50 1 1 . 1 1 10 10 VAL CA C 10 58.880 58.880 60.101 -1.221 19731 51 1 1 . 1 1 10 10 VAL CB C 10 35.250 35.250 34.935 0.315 19731 52 1 1 . 1 1 10 10 VAL H H 10 9.246 9.246 9.006 0.240 19731 53 1 1 . 1 1 11 11 GLY N N 11 115.421 115.421 113.305 2.116 19731 54 1 1 . 1 1 11 11 GLY C C 11 170.943 170.943 172.503 -1.560 19731 55 1 1 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.617 1.556 19731 56 1 1 . 1 1 11 11 GLY H H 11 8.738 8.738 9.179 -0.441 19731 57 1 1 . 1 1 12 12 LEU N N 12 119.415 119.415 125.660 -6.245 19731 58 1 1 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.921 -0.705 19731 59 1 1 . 1 1 12 12 LEU C C 12 176.498 176.498 175.124 1.374 19731 60 1 1 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.113 1.636 19731 61 1 1 . 1 1 12 12 LEU CB C 12 40.328 40.328 43.089 -2.761 19731 62 1 1 . 1 1 12 12 LEU H H 12 7.423 7.423 8.842 -1.419 19731 63 1 1 . 1 1 13 13 ALA N N 13 121.608 121.608 124.942 -3.334 19731 64 1 1 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.588 -0.220 19731 65 1 1 . 1 1 13 13 ALA C C 13 177.463 177.463 174.739 2.724 19731 66 1 1 . 1 1 13 13 ALA CA C 13 52.774 52.774 51.003 1.771 19731 67 1 1 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.131 4.510 19731 68 1 1 . 1 1 13 13 ALA H H 13 8.627 8.627 8.235 0.392 19731 69 1 1 . 1 1 14 14 ASN N N 14 116.827 116.827 120.168 -3.341 19731 70 1 1 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.969 -0.565 19731 71 1 1 . 1 1 14 14 ASN C C 14 173.431 173.431 173.722 -0.291 19731 72 1 1 . 1 1 14 14 ASN CA C 14 51.052 51.052 50.335 0.717 19731 73 1 1 . 1 1 14 14 ASN CB C 14 40.484 40.484 39.618 0.866 19731 74 1 1 . 1 1 14 14 ASN H H 14 8.896 8.896 8.116 0.780 19731 75 1 1 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.153 0.204 19731 76 1 1 . 1 1 17 17 PRO C C 17 179.073 179.073 178.379 0.694 19731 77 1 1 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.686 0.486 19731 78 1 1 . 1 1 17 17 PRO CB C 17 31.874 31.874 31.942 -0.068 19731 79 1 1 . 1 1 18 18 GLU N N 18 118.514 118.514 117.029 1.485 19731 80 1 1 . 1 1 18 18 GLU HA H 18 4.054 4.054 3.995 0.059 19731 81 1 1 . 1 1 18 18 GLU C C 18 177.807 177.807 177.631 0.176 19731 82 1 1 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.900 -0.099 19731 83 1 1 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.836 -0.407 19731 84 1 1 . 1 1 18 18 GLU H H 18 9.729 9.729 8.513 1.216 19731 85 1 1 . 1 1 19 19 TYR N N 19 115.421 115.421 114.647 0.774 19731 86 1 1 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.859 -1.432 19731 87 1 1 . 1 1 19 19 TYR C C 19 177.549 177.549 177.613 -0.064 19731 88 1 1 . 1 1 19 19 TYR CA C 19 58.332 58.332 55.851 2.481 19731 89 1 1 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.605 1.096 19731 90 1 1 . 1 1 19 19 TYR H H 19 7.268 7.268 7.551 -0.283 19731 91 1 1 . 1 1 20 20 ALA N N 20 123.858 123.858 123.349 0.509 19731 92 1 1 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.462 -0.033 19731 93 1 1 . 1 1 20 20 ALA C C 20 178.365 178.365 177.837 0.528 19731 94 1 1 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.782 2.201 19731 95 1 1 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.960 0.781 19731 96 1 1 . 1 1 20 20 ALA H H 20 7.245 7.245 7.781 -0.536 19731 97 1 1 . 1 1 21 21 LYS N N 21 114.577 114.577 115.256 -0.679 19731 98 1 1 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.260 0.523 19731 99 1 1 . 1 1 21 21 LYS C C 21 176.541 176.541 176.332 0.209 19731 100 1 1 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.905 -2.491 19731 101 1 1 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.420 -0.311 19731 102 1 1 . 1 1 21 21 LYS H H 21 8.894 8.894 7.562 1.332 19731 103 1 1 . 1 1 22 22 THR N N 22 111.202 111.202 116.763 -5.561 19731 104 1 1 . 1 1 22 22 THR HA H 22 4.495 4.495 4.325 0.170 19731 105 1 1 . 1 1 22 22 THR C C 22 175.277 175.277 173.972 1.305 19731 106 1 1 . 1 1 22 22 THR CA C 22 61.306 61.306 62.676 -1.370 19731 107 1 1 . 1 1 22 22 THR CB C 22 72.109 72.109 70.305 1.804 19731 108 1 1 . 1 1 22 22 THR H H 22 7.927 7.927 7.437 0.490 19731 109 1 1 . 1 1 23 23 ARG N N 23 119.639 119.639 122.916 -3.277 19731 110 1 1 . 1 1 23 23 ARG HA H 23 4.508 4.508 3.934 0.574 19731 111 1 1 . 1 1 23 23 ARG C C 23 177.142 177.142 177.912 -0.770 19731 112 1 1 . 1 1 23 23 ARG CA C 23 60.993 60.993 59.213 1.780 19731 113 1 1 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.451 1.423 19731 114 1 1 . 1 1 23 23 ARG H H 23 8.245 8.245 8.602 -0.357 19731 115 1 1 . 1 1 24 24 HIS N N 24 115.140 115.140 116.510 -1.370 19731 116 1 1 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.921 -0.993 19731 117 1 1 . 1 1 24 24 HIS C C 24 173.109 173.109 174.242 -1.133 19731 118 1 1 . 1 1 24 24 HIS CA C 24 53.870 53.870 55.813 -1.943 19731 119 1 1 . 1 1 24 24 HIS CB C 24 29.003 29.003 27.590 1.413 19731 120 1 1 . 1 1 24 24 HIS H H 24 8.245 8.245 8.589 -0.344 19731 121 1 1 . 1 1 25 25 ASN N N 25 115.140 115.140 116.386 -1.246 19731 122 1 1 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.861 -0.100 19731 123 1 1 . 1 1 25 25 ASN C C 25 175.234 175.234 175.899 -0.665 19731 124 1 1 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.754 -0.606 19731 125 1 1 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.258 -0.044 19731 126 1 1 . 1 1 25 25 ASN H H 25 7.661 7.661 8.172 -0.511 19731 127 1 1 . 1 1 26 26 ALA N N 26 120.764 120.764 123.820 -3.056 19731 128 1 1 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.960 0.797 19731 129 1 1 . 1 1 26 26 ALA C C 26 178.428 178.428 179.007 -0.579 19731 130 1 1 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.800 -1.304 19731 131 1 1 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.234 0.176 19731 132 1 1 . 1 1 26 26 ALA H H 26 7.148 7.148 7.803 -0.655 19731 133 1 1 . 1 1 27 27 GLY N N 27 100.254 100.254 104.821 -4.567 19731 134 1 1 . 1 1 27 27 GLY C C 27 176.520 176.520 175.656 0.864 19731 135 1 1 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.676 0.305 19731 136 1 1 . 1 1 27 27 GLY H H 27 8.957 8.957 7.947 1.010 19731 137 1 1 . 1 1 28 28 ALA N N 28 123.296 123.296 124.317 -1.021 19731 138 1 1 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.381 -0.191 19731 139 1 1 . 1 1 28 28 ALA C C 28 179.373 179.373 179.036 0.337 19731 140 1 1 . 1 1 28 28 ALA CA C 28 55.592 55.592 54.129 1.463 19731 141 1 1 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.338 -0.006 19731 142 1 1 . 1 1 28 28 ALA H H 28 7.090 7.090 7.473 -0.383 19731 143 1 1 . 1 1 29 29 TRP N N 29 117.952 117.952 120.219 -2.267 19731 144 1 1 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.358 0.359 19731 145 1 1 . 1 1 29 29 TRP C C 29 179.973 179.973 178.268 1.705 19731 146 1 1 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.517 -2.655 19731 147 1 1 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.305 -1.249 19731 148 1 1 . 1 1 29 29 TRP H H 29 7.649 7.649 8.546 -0.897 19731 149 1 1 . 1 1 30 30 VAL N N 30 116.082 116.082 115.299 0.783 19731 150 1 1 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.854 -0.298 19731 151 1 1 . 1 1 30 30 VAL C C 30 176.542 176.542 177.383 -0.841 19731 152 1 1 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.570 0.590 19731 153 1 1 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.140 0.890 19731 154 1 1 . 1 1 30 30 VAL H H 30 7.263 7.263 7.541 -0.278 19731 155 1 1 . 1 1 31 31 VAL N N 31 118.514 118.514 121.856 -3.342 19731 156 1 1 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.680 -0.420 19731 157 1 1 . 1 1 31 31 VAL C C 31 177.142 177.142 178.063 -0.921 19731 158 1 1 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.887 0.760 19731 159 1 1 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.003 0.636 19731 160 1 1 . 1 1 31 31 VAL H H 31 6.912 6.912 7.186 -0.274 19731 161 1 1 . 1 1 32 32 GLU N N 32 117.882 117.882 119.037 -1.155 19731 162 1 1 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.892 -0.101 19731 163 1 1 . 1 1 32 32 GLU C C 32 179.715 179.715 178.474 1.241 19731 164 1 1 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.357 0.697 19731 165 1 1 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.375 0.698 19731 166 1 1 . 1 1 32 32 GLU H H 32 9.069 9.069 7.784 1.285 19731 167 1 1 . 1 1 33 33 GLU N N 33 120.202 120.202 120.691 -0.489 19731 168 1 1 . 1 1 33 33 GLU HA H 33 4.504 4.504 4.013 0.491 19731 169 1 1 . 1 1 33 33 GLU C C 33 177.807 177.807 178.764 -0.957 19731 170 1 1 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.722 -0.234 19731 171 1 1 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.108 -0.131 19731 172 1 1 . 1 1 33 33 GLU H H 33 7.967 7.967 7.565 0.402 19731 173 1 1 . 1 1 34 34 LEU N N 34 121.046 121.046 119.990 1.056 19731 174 1 1 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.986 0.037 19731 175 1 1 . 1 1 34 34 LEU C C 34 178.429 178.429 178.857 -0.428 19731 176 1 1 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.838 0.584 19731 177 1 1 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.542 0.899 19731 178 1 1 . 1 1 34 34 LEU H H 34 8.297 8.297 7.813 0.484 19731 179 1 1 . 1 1 35 35 ALA N N 35 118.233 118.233 121.140 -2.907 19731 180 1 1 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.981 -0.114 19731 181 1 1 . 1 1 35 35 ALA C C 35 178.729 178.729 179.603 -0.874 19731 182 1 1 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.166 0.504 19731 183 1 1 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.031 -0.874 19731 184 1 1 . 1 1 35 35 ALA H H 35 8.450 8.450 7.970 0.480 19731 185 1 1 . 1 1 36 36 ARG N N 36 118.796 118.796 119.093 -0.297 19731 186 1 1 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.102 -0.062 19731 187 1 1 . 1 1 36 36 ARG C C 36 181.217 181.217 178.311 2.906 19731 188 1 1 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.897 0.922 19731 189 1 1 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.516 0.027 19731 190 1 1 . 1 1 36 36 ARG H H 36 8.063 8.063 7.692 0.371 19731 191 1 1 . 1 1 37 37 ILE N N 37 119.077 119.077 118.963 0.114 19731 192 1 1 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.881 -0.130 19731 193 1 1 . 1 1 37 37 ILE C C 37 177.443 177.443 178.036 -0.593 19731 194 1 1 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.995 0.364 19731 195 1 1 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.620 0.594 19731 196 1 1 . 1 1 37 37 ILE H H 37 8.420 8.420 8.302 0.118 19731 197 1 1 . 1 1 38 38 HIS N N 38 116.546 116.546 117.052 -0.506 19731 198 1 1 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.511 -0.112 19731 199 1 1 . 1 1 38 38 HIS C C 38 173.452 173.452 174.787 -1.335 19731 200 1 1 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.603 0.633 19731 201 1 1 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.514 -0.815 19731 202 1 1 . 1 1 38 38 HIS H H 38 7.635 7.635 7.767 -0.132 19731 203 1 1 . 1 1 39 39 ASN N N 39 117.108 117.108 117.798 -0.690 19731 204 1 1 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.410 -0.058 19731 205 1 1 . 1 1 39 39 ASN C C 39 174.310 174.310 173.762 0.548 19731 206 1 1 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.856 0.797 19731 207 1 1 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.124 0.229 19731 208 1 1 . 1 1 39 39 ASN H H 39 7.942 7.942 7.867 0.075 19731 209 1 1 . 1 1 40 40 VAL N N 40 119.921 119.921 119.168 0.753 19731 210 1 1 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.467 -0.251 19731 211 1 1 . 1 1 40 40 VAL C C 40 175.361 175.361 175.478 -0.117 19731 212 1 1 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.594 1.182 19731 213 1 1 . 1 1 40 40 VAL CB C 40 34.222 34.222 34.451 -0.229 19731 214 1 1 . 1 1 40 40 VAL H H 40 8.578 8.578 7.862 0.716 19731 215 1 1 . 1 1 41 41 THR N N 41 123.878 123.878 123.029 0.849 19731 216 1 1 . 1 1 41 41 THR HA H 41 4.231 4.231 4.353 -0.122 19731 217 1 1 . 1 1 41 41 THR C C 41 174.033 174.033 174.091 -0.058 19731 218 1 1 . 1 1 41 41 THR CA C 41 61.776 61.776 61.821 -0.045 19731 219 1 1 . 1 1 41 41 THR CB C 41 69.525 69.525 69.011 0.514 19731 220 1 1 . 1 1 41 41 THR H H 41 8.617 8.617 8.414 0.203 19731 221 1 1 . 1 1 42 42 LEU N N 42 128.639 128.639 129.144 -0.505 19731 222 1 1 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.461 -0.124 19731 223 1 1 . 1 1 42 42 LEU C C 42 175.919 175.919 176.577 -0.658 19731 224 1 1 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.598 0.211 19731 225 1 1 . 1 1 42 42 LEU CB C 42 41.893 41.893 41.085 0.808 19731 226 1 1 . 1 1 42 42 LEU H H 42 8.783 8.783 8.693 0.090 19731 227 1 1 . 1 1 43 43 LYS N N 43 122.452 122.452 125.637 -3.185 19731 228 1 1 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.532 0.057 19731 229 1 1 . 1 1 43 43 LYS C C 43 175.619 175.619 175.564 0.055 19731 230 1 1 . 1 1 43 43 LYS CA C 43 54.496 54.496 55.339 -0.843 19731 231 1 1 . 1 1 43 43 LYS CB C 43 35.944 35.944 33.502 2.442 19731 232 1 1 . 1 1 43 43 LYS H H 43 8.738 8.738 9.146 -0.408 19731 233 1 1 . 1 1 44 44 ASN N N 44 123.014 123.014 124.189 -1.175 19731 234 1 1 . 1 1 44 44 ASN HA H 44 4.580 4.580 5.219 -0.639 19731 235 1 1 . 1 1 44 44 ASN C C 44 174.718 174.718 175.249 -0.531 19731 236 1 1 . 1 1 44 44 ASN CA C 44 54.484 54.484 51.749 2.735 19731 237 1 1 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.105 0.735 19731 238 1 1 . 1 1 44 44 ASN H H 44 8.906 8.906 8.938 -0.032 19731 239 1 1 . 1 1 45 45 GLU N N 45 128.921 128.921 123.917 5.004 19731 240 1 1 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.767 -0.393 19731 241 1 1 . 1 1 45 45 GLU C C 45 173.731 173.731 175.260 -1.529 19731 242 1 1 . 1 1 45 45 GLU CA C 45 53.244 53.244 53.221 0.023 19731 243 1 1 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.017 1.622 19731 244 1 1 . 1 1 45 45 GLU H H 45 8.675 8.675 7.997 0.678 19731 245 1 1 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.523 -0.535 19731 246 1 1 . 1 1 46 46 PRO C C 46 175.298 175.298 176.774 -1.476 19731 247 1 1 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.836 0.149 19731 248 1 1 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.695 0.335 19731 249 1 1 . 1 1 47 47 LYS N N 47 115.793 115.793 116.016 -0.223 19731 250 1 1 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.957 -0.439 19731 251 1 1 . 1 1 47 47 LYS C C 47 174.998 174.998 177.472 -2.474 19731 252 1 1 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.540 -0.678 19731 253 1 1 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.003 -0.442 19731 254 1 1 . 1 1 47 47 LYS H H 47 8.239 8.239 8.079 0.160 19731 255 1 1 . 1 1 48 48 PHE N N 48 114.577 114.577 113.227 1.350 19731 256 1 1 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.733 0.157 19731 257 1 1 . 1 1 48 48 PHE C C 48 172.810 172.810 175.837 -3.027 19731 258 1 1 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.383 -2.513 19731 259 1 1 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.971 -0.270 19731 260 1 1 . 1 1 48 48 PHE H H 48 7.398 7.398 7.251 0.147 19731 261 1 1 . 1 1 49 49 PHE N N 49 110.358 110.358 120.673 -10.315 19731 262 1 1 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.108 -0.256 19731 263 1 1 . 1 1 49 49 PHE C C 49 175.298 175.298 173.957 1.341 19731 264 1 1 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.250 -0.231 19731 265 1 1 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.635 -1.204 19731 266 1 1 . 1 1 49 49 PHE H H 49 6.923 6.923 8.488 -1.565 19731 267 1 1 . 1 1 50 50 GLY N N 50 136.915 136.915 107.620 29.295 19731 268 1 1 . 1 1 50 50 GLY C C 50 170.643 170.643 171.672 -1.029 19731 269 1 1 . 1 1 50 50 GLY CA C 50 47.138 47.138 45.273 1.865 19731 270 1 1 . 1 1 50 50 GLY H H 50 6.836 6.836 7.631 -0.795 19731 271 1 1 . 1 1 51 51 LEU N N 51 119.282 119.282 121.650 -2.368 19731 272 1 1 . 1 1 51 51 LEU HA H 51 4.837 4.837 5.093 -0.256 19731 273 1 1 . 1 1 51 51 LEU C C 51 177.164 177.164 175.217 1.947 19731 274 1 1 . 1 1 51 51 LEU CA C 51 53.087 53.087 53.883 -0.796 19731 275 1 1 . 1 1 51 51 LEU CB C 51 44.163 44.163 44.299 -0.136 19731 276 1 1 . 1 1 51 51 LEU H H 51 8.692 8.692 8.785 -0.093 19731 277 1 1 . 1 1 52 52 THR N N 52 112.608 112.608 123.254 -10.646 19731 278 1 1 . 1 1 52 52 THR HA H 52 5.529 5.529 5.579 -0.050 19731 279 1 1 . 1 1 52 52 THR C C 52 173.732 173.732 173.130 0.602 19731 280 1 1 . 1 1 52 52 THR CA C 52 59.036 59.036 60.148 -1.112 19731 281 1 1 . 1 1 52 52 THR CB C 52 72.578 72.578 71.829 0.749 19731 282 1 1 . 1 1 52 52 THR H H 52 9.230 9.230 9.354 -0.124 19731 283 1 1 . 1 1 53 53 GLY N N 53 105.858 105.858 112.052 -6.194 19731 284 1 1 . 1 1 53 53 GLY C C 53 171.545 171.545 171.511 0.034 19731 285 1 1 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.541 0.483 19731 286 1 1 . 1 1 53 53 GLY H H 53 7.881 7.881 9.235 -1.354 19731 287 1 1 . 1 1 54 54 ARG N N 54 122.128 122.128 126.738 -4.610 19731 288 1 1 . 1 1 54 54 ARG HA H 54 4.861 4.861 5.242 -0.381 19731 289 1 1 . 1 1 54 54 ARG C C 54 172.767 172.767 175.111 -2.344 19731 290 1 1 . 1 1 54 54 ARG CA C 54 55.749 55.749 54.605 1.144 19731 291 1 1 . 1 1 54 54 ARG CB C 54 32.813 32.813 31.098 1.715 19731 292 1 1 . 1 1 54 54 ARG H H 54 8.627 8.627 8.710 -0.083 19731 293 1 1 . 1 1 55 55 LEU N N 55 125.264 125.264 124.495 0.769 19731 294 1 1 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.476 0.108 19731 295 1 1 . 1 1 55 55 LEU C C 55 174.011 174.011 174.682 -0.671 19731 296 1 1 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.258 0.847 19731 297 1 1 . 1 1 55 55 LEU CB C 55 44.242 44.242 44.026 0.216 19731 298 1 1 . 1 1 55 55 LEU H H 55 8.968 8.968 9.084 -0.116 19731 299 1 1 . 1 1 56 56 LEU N N 56 123.577 123.577 127.742 -4.165 19731 300 1 1 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.803 0.217 19731 301 1 1 . 1 1 56 56 LEU C C 56 176.263 176.263 175.959 0.304 19731 302 1 1 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.245 -0.557 19731 303 1 1 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.646 1.048 19731 304 1 1 . 1 1 56 56 LEU H H 56 8.405 8.405 8.355 0.050 19731 305 1 1 . 1 1 57 57 ILE N N 57 123.748 123.748 119.649 4.099 19731 306 1 1 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.536 -0.326 19731 307 1 1 . 1 1 57 57 ILE C C 57 175.655 175.655 175.800 -0.145 19731 308 1 1 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.568 0.564 19731 309 1 1 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.563 -0.079 19731 310 1 1 . 1 1 57 57 ILE H H 57 8.617 8.617 8.744 -0.127 19731 311 1 1 . 1 1 58 58 ASN N N 58 127.486 127.486 125.257 2.229 19731 312 1 1 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.306 0.016 19731 313 1 1 . 1 1 58 58 ASN C C 58 174.976 174.976 175.041 -0.065 19731 314 1 1 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.840 -1.074 19731 315 1 1 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.682 0.062 19731 316 1 1 . 1 1 58 58 ASN H H 58 9.489 9.489 9.220 0.269 19731 317 1 1 . 1 1 59 59 SER N N 59 106.702 106.702 113.593 -6.891 19731 318 1 1 . 1 1 59 59 SER HA H 59 3.833 3.833 4.497 -0.664 19731 319 1 1 . 1 1 59 59 SER C C 59 172.510 172.510 173.935 -1.425 19731 320 1 1 . 1 1 59 59 SER CA C 59 60.445 60.445 58.766 1.679 19731 321 1 1 . 1 1 59 59 SER CB C 59 62.246 62.246 65.492 -3.246 19731 322 1 1 . 1 1 59 59 SER H H 59 8.664 8.664 8.507 0.157 19731 323 1 1 . 1 1 60 60 GLN N N 60 120.764 120.764 122.851 -2.087 19731 324 1 1 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.461 0.029 19731 325 1 1 . 1 1 60 60 GLN C C 60 174.310 174.310 174.032 0.278 19731 326 1 1 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.565 -0.382 19731 327 1 1 . 1 1 60 60 GLN CB C 60 31.169 31.169 31.398 -0.229 19731 328 1 1 . 1 1 60 60 GLN H H 60 7.925 7.925 7.499 0.426 19731 329 1 1 . 1 1 61 61 GLU N N 61 122.452 122.452 124.093 -1.641 19731 330 1 1 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.403 0.223 19731 331 1 1 . 1 1 61 61 GLU C C 61 174.932 174.932 175.595 -0.663 19731 332 1 1 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.073 0.754 19731 333 1 1 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.611 2.028 19731 334 1 1 . 1 1 61 61 GLU H H 61 8.613 8.613 8.560 0.053 19731 335 1 1 . 1 1 62 62 LEU N N 62 129.483 129.483 126.948 2.535 19731 336 1 1 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.528 -0.045 19731 337 1 1 . 1 1 62 62 LEU C C 62 175.276 175.276 176.380 -1.104 19731 338 1 1 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.881 -0.168 19731 339 1 1 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.103 2.313 19731 340 1 1 . 1 1 62 62 LEU H H 62 9.131 9.131 9.008 0.123 19731 341 1 1 . 1 1 63 63 ARG N N 63 125.546 125.546 124.690 0.856 19731 342 1 1 . 1 1 63 63 ARG HA H 63 4.884 4.884 4.829 0.055 19731 343 1 1 . 1 1 63 63 ARG C C 63 174.998 174.998 174.752 0.246 19731 344 1 1 . 1 1 63 63 ARG CA C 63 55.983 55.983 55.270 0.713 19731 345 1 1 . 1 1 63 63 ARG CB C 63 31.013 31.013 30.598 0.415 19731 346 1 1 . 1 1 63 63 ARG H H 63 7.802 7.802 8.854 -1.052 19731 347 1 1 . 1 1 64 64 VAL N N 64 112.608 112.608 125.898 -13.290 19731 348 1 1 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.477 0.363 19731 349 1 1 . 1 1 64 64 VAL C C 64 174.353 174.353 173.639 0.714 19731 350 1 1 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.715 -1.931 19731 351 1 1 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.643 -0.716 19731 352 1 1 . 1 1 64 64 VAL H H 64 8.199 8.199 9.041 -0.842 19731 353 1 1 . 1 1 65 65 LEU N N 65 122.279 122.279 130.369 -8.090 19731 354 1 1 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.357 0.169 19731 355 1 1 . 1 1 65 65 LEU C C 65 174.353 174.353 174.160 0.193 19731 356 1 1 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.561 -0.004 19731 357 1 1 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.635 1.051 19731 358 1 1 . 1 1 65 65 LEU H H 65 8.163 8.163 8.967 -0.804 19731 359 1 1 . 1 1 66 66 ILE N N 66 126.952 126.952 126.205 0.747 19731 360 1 1 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.269 -0.147 19731 361 1 1 . 1 1 66 66 ILE C C 66 173.817 173.817 173.425 0.392 19731 362 1 1 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.849 1.718 19731 363 1 1 . 1 1 66 66 ILE CB C 66 41.815 41.815 42.013 -0.198 19731 364 1 1 . 1 1 66 66 ILE H H 66 9.131 9.131 9.230 -0.099 19731 365 1 1 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.614 -0.106 19731 366 1 1 . 1 1 67 67 PRO C C 67 177.786 177.786 176.772 1.014 19731 367 1 1 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.541 0.662 19731 368 1 1 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.665 0.444 19731 369 1 1 . 1 1 68 68 THR N N 68 115.421 115.421 113.154 2.267 19731 370 1 1 . 1 1 68 68 THR HA H 68 4.370 4.370 4.032 0.338 19731 371 1 1 . 1 1 68 68 THR C C 68 174.054 174.054 175.006 -0.952 19731 372 1 1 . 1 1 68 68 THR CA C 68 60.445 60.445 64.651 -4.207 19731 373 1 1 . 1 1 68 68 THR CB C 68 67.177 67.177 68.665 -1.488 19731 374 1 1 . 1 1 68 68 THR H H 68 9.645 9.645 8.311 1.334 19731 375 1 1 . 1 1 69 69 THR N N 69 110.954 110.954 117.434 -6.480 19731 376 1 1 . 1 1 69 69 THR HA H 69 4.065 4.065 4.697 -0.632 19731 377 1 1 . 1 1 69 69 THR C C 69 177.184 177.184 173.033 4.151 19731 378 1 1 . 1 1 69 69 THR CA C 69 62.011 62.011 61.213 0.798 19731 379 1 1 . 1 1 69 69 THR CB C 69 71.013 71.013 71.054 -0.041 19731 380 1 1 . 1 1 69 69 THR H H 69 7.063 7.063 7.930 -0.867 19731 381 1 1 . 1 1 70 70 PHE N N 70 111.483 111.483 122.509 -11.026 19731 382 1 1 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.514 -0.258 19731 383 1 1 . 1 1 70 70 PHE C C 70 179.029 179.029 175.200 3.829 19731 384 1 1 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.484 4.075 19731 385 1 1 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.026 0.345 19731 386 1 1 . 1 1 70 70 PHE H H 70 8.033 8.033 8.976 -0.943 19731 387 1 1 . 1 1 71 71 MET N N 71 121.809 121.809 119.415 2.394 19731 388 1 1 . 1 1 71 71 MET HA H 71 4.055 4.055 4.500 -0.445 19731 389 1 1 . 1 1 71 71 MET C C 71 179.372 179.372 177.753 1.619 19731 390 1 1 . 1 1 71 71 MET CA C 71 58.488 58.488 57.068 1.420 19731 391 1 1 . 1 1 71 71 MET CB C 71 31.036 31.036 32.450 -1.414 19731 392 1 1 . 1 1 71 71 MET H H 71 8.671 8.671 7.791 0.880 19731 393 1 1 . 1 1 72 72 ASN N N 72 115.648 115.648 117.336 -1.688 19731 394 1 1 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.665 -0.508 19731 395 1 1 . 1 1 72 72 ASN C C 72 173.454 173.454 177.428 -3.974 19731 396 1 1 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.466 -0.657 19731 397 1 1 . 1 1 72 72 ASN CB C 72 36.805 36.805 39.025 -2.220 19731 398 1 1 . 1 1 72 72 ASN H H 72 8.817 8.817 8.201 0.616 19731 399 1 1 . 1 1 73 73 LEU N N 73 119.077 119.077 120.645 -1.568 19731 400 1 1 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.218 0.755 19731 401 1 1 . 1 1 73 73 LEU C C 73 177.485 177.485 178.801 -1.316 19731 402 1 1 . 1 1 73 73 LEU CA C 73 53.870 53.870 56.816 -2.946 19731 403 1 1 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.567 1.970 19731 404 1 1 . 1 1 73 73 LEU H H 73 7.362 7.362 8.312 -0.950 19731 405 1 1 . 1 1 74 74 SER N N 74 114.067 114.067 116.517 -2.450 19731 406 1 1 . 1 1 74 74 SER HA H 74 4.084 4.084 4.204 -0.120 19731 407 1 1 . 1 1 74 74 SER C C 74 175.640 175.640 176.728 -1.088 19731 408 1 1 . 1 1 74 74 SER CA C 74 63.498 63.498 61.566 1.932 19731 409 1 1 . 1 1 74 74 SER CB C 74 66.081 66.081 62.447 3.634 19731 410 1 1 . 1 1 74 74 SER H H 74 7.499 7.499 7.903 -0.404 19731 411 1 1 . 1 1 75 75 GLY N N 75 107.827 107.827 109.586 -1.759 19731 412 1 1 . 1 1 75 75 GLY C C 75 174.954 174.954 175.896 -0.942 19731 413 1 1 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.373 1.626 19731 414 1 1 . 1 1 75 75 GLY H H 75 10.017 10.017 8.038 1.979 19731 415 1 1 . 1 1 76 76 LYS N N 76 120.250 120.250 121.920 -1.670 19731 416 1 1 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.974 -0.001 19731 417 1 1 . 1 1 76 76 LYS C C 76 179.051 179.051 178.524 0.527 19731 418 1 1 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.470 -0.199 19731 419 1 1 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.338 0.475 19731 420 1 1 . 1 1 76 76 LYS H H 76 7.975 7.975 7.545 0.430 19731 421 1 1 . 1 1 77 77 ALA N N 77 121.046 121.046 123.279 -2.233 19731 422 1 1 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.351 0.087 19731 423 1 1 . 1 1 77 77 ALA C C 77 177.463 177.463 179.581 -2.118 19731 424 1 1 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.019 -0.053 19731 425 1 1 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.486 2.272 19731 426 1 1 . 1 1 77 77 ALA H H 77 6.824 6.824 7.852 -1.028 19731 427 1 1 . 1 1 78 78 ILE N N 78 115.422 115.422 118.677 -3.255 19731 428 1 1 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.540 -0.418 19731 429 1 1 . 1 1 78 78 ILE C C 78 177.163 177.163 177.797 -0.634 19731 430 1 1 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.837 1.009 19731 431 1 1 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.550 1.604 19731 432 1 1 . 1 1 78 78 ILE H H 78 7.124 7.124 7.576 -0.452 19731 433 1 1 . 1 1 79 79 ALA N N 79 117.952 117.952 122.695 -4.743 19731 434 1 1 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.813 0.123 19731 435 1 1 . 1 1 79 79 ALA C C 79 179.329 179.329 179.158 0.171 19731 436 1 1 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.101 -0.057 19731 437 1 1 . 1 1 79 79 ALA CB C 79 18.410 18.410 18.008 0.402 19731 438 1 1 . 1 1 79 79 ALA H H 79 8.644 8.644 8.314 0.330 19731 439 1 1 . 1 1 80 80 ALA N N 80 118.796 118.796 120.761 -1.965 19731 440 1 1 . 1 1 80 80 ALA HA H 80 4.307 4.307 3.733 0.574 19731 441 1 1 . 1 1 80 80 ALA C C 80 180.616 180.616 178.618 1.998 19731 442 1 1 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.207 1.385 19731 443 1 1 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.397 0.326 19731 444 1 1 . 1 1 80 80 ALA H H 80 7.442 7.442 7.432 0.010 19731 445 1 1 . 1 1 81 81 LEU N N 81 119.878 119.878 120.181 -0.303 19731 446 1 1 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.365 0.239 19731 447 1 1 . 1 1 81 81 LEU C C 81 178.750 178.750 178.339 0.411 19731 448 1 1 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.162 2.109 19731 449 1 1 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.006 1.592 19731 450 1 1 . 1 1 81 81 LEU H H 81 7.953 7.953 7.877 0.076 19731 451 1 1 . 1 1 82 82 ALA N N 82 120.764 120.764 119.543 1.221 19731 452 1 1 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.934 -0.051 19731 453 1 1 . 1 1 82 82 ALA C C 82 180.273 180.273 179.217 1.056 19731 454 1 1 . 1 1 82 82 ALA CA C 82 56.140 56.140 55.035 1.105 19731 455 1 1 . 1 1 82 82 ALA CB C 82 17.236 17.236 17.965 -0.729 19731 456 1 1 . 1 1 82 82 ALA H H 82 8.906 8.906 8.317 0.589 19731 457 1 1 . 1 1 83 83 ASN N N 83 113.733 113.733 117.939 -4.206 19731 458 1 1 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.429 0.097 19731 459 1 1 . 1 1 83 83 ASN C C 83 178.085 178.085 177.749 0.336 19731 460 1 1 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.180 -0.353 19731 461 1 1 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.408 -0.037 19731 462 1 1 . 1 1 83 83 ASN H H 83 8.644 8.644 7.230 1.414 19731 463 1 1 . 1 1 84 84 PHE N N 84 121.327 121.327 118.657 2.670 19731 464 1 1 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.329 -0.268 19731 465 1 1 . 1 1 84 84 PHE C C 84 177.164 177.164 178.089 -0.925 19731 466 1 1 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.267 1.822 19731 467 1 1 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.092 2.314 19731 468 1 1 . 1 1 84 84 PHE H H 84 7.621 7.621 7.587 0.034 19731 469 1 1 . 1 1 85 85 TYR N N 85 112.890 112.890 115.693 -2.803 19731 470 1 1 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.396 0.111 19731 471 1 1 . 1 1 85 85 TYR C C 85 173.732 173.732 175.741 -2.009 19731 472 1 1 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.028 0.165 19731 473 1 1 . 1 1 85 85 TYR CB C 85 38.919 38.919 38.030 0.889 19731 474 1 1 . 1 1 85 85 TYR H H 85 7.578 7.578 7.557 0.021 19731 475 1 1 . 1 1 86 86 GLN N N 86 117.671 117.671 113.467 4.204 19731 476 1 1 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.957 -0.014 19731 477 1 1 . 1 1 86 86 GLN C C 86 174.675 174.675 174.703 -0.028 19731 478 1 1 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.570 0.666 19731 479 1 1 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.485 -0.639 19731 480 1 1 . 1 1 86 86 GLN H H 86 7.691 7.691 7.710 -0.019 19731 481 1 1 . 1 1 87 87 ILE N N 87 122.171 122.171 117.945 4.226 19731 482 1 1 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.196 -0.199 19731 483 1 1 . 1 1 87 87 ILE C C 87 175.597 175.597 176.291 -0.694 19731 484 1 1 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.096 2.523 19731 485 1 1 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.205 3.279 19731 486 1 1 . 1 1 87 87 ILE H H 87 8.786 8.786 7.433 1.353 19731 487 1 1 . 1 1 88 88 LYS N N 88 128.639 128.639 128.201 0.438 19731 488 1 1 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.623 -0.702 19731 489 1 1 . 1 1 88 88 LYS CA C 88 54.887 54.887 53.938 0.949 19731 490 1 1 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.886 -0.247 19731 491 1 1 . 1 1 88 88 LYS H H 88 8.957 8.957 9.038 -0.081 19731 492 1 1 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.096 -0.076 19731 493 1 1 . 1 1 89 89 PRO C C 89 176.542 176.542 177.287 -0.745 19731 494 1 1 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.780 0.517 19731 495 1 1 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.820 -0.117 19731 496 1 1 . 1 1 90 90 GLU N N 90 111.202 111.202 114.260 -3.058 19731 497 1 1 . 1 1 90 90 GLU HA H 90 4.308 4.308 3.254 1.054 19731 498 1 1 . 1 1 90 90 GLU C C 90 176.241 176.241 176.860 -0.619 19731 499 1 1 . 1 1 90 90 GLU CA C 90 59.036 59.036 57.459 1.577 19731 500 1 1 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.735 -0.227 19731 501 1 1 . 1 1 90 90 GLU H H 90 9.328 9.328 7.947 1.381 19731 502 1 1 . 1 1 91 91 GLU N N 91 116.265 116.265 116.889 -0.624 19731 503 1 1 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.679 0.253 19731 504 1 1 . 1 1 91 91 GLU C C 91 175.254 175.254 175.424 -0.170 19731 505 1 1 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.539 -0.886 19731 506 1 1 . 1 1 91 91 GLU CB C 91 30.856 30.856 30.643 0.213 19731 507 1 1 . 1 1 91 91 GLU H H 91 8.101 8.101 7.950 0.151 19731 508 1 1 . 1 1 92 92 ILE N N 92 122.683 122.683 121.519 1.164 19731 509 1 1 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.703 -0.469 19731 510 1 1 . 1 1 92 92 ILE C C 92 173.710 173.710 174.566 -0.856 19731 511 1 1 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.485 1.352 19731 512 1 1 . 1 1 92 92 ILE CB C 92 40.171 40.171 38.028 2.143 19731 513 1 1 . 1 1 92 92 ILE H H 92 8.042 8.042 7.483 0.559 19731 514 1 1 . 1 1 93 93 MET N N 93 125.264 125.264 126.583 -1.319 19731 515 1 1 . 1 1 93 93 MET HA H 93 5.215 5.215 5.334 -0.119 19731 516 1 1 . 1 1 93 93 MET C C 93 173.454 173.454 175.064 -1.610 19731 517 1 1 . 1 1 93 93 MET CA C 93 53.322 53.322 54.128 -0.806 19731 518 1 1 . 1 1 93 93 MET CB C 93 36.570 36.570 37.194 -0.624 19731 519 1 1 . 1 1 93 93 MET H H 93 9.187 9.187 9.164 0.023 19731 520 1 1 . 1 1 94 94 VAL N N 94 128.639 128.639 120.469 8.170 19731 521 1 1 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.045 -0.447 19731 522 1 1 . 1 1 94 94 VAL C C 94 174.675 174.675 174.043 0.632 19731 523 1 1 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.880 0.426 19731 524 1 1 . 1 1 94 94 VAL CB C 94 33.518 33.518 35.975 -2.457 19731 525 1 1 . 1 1 94 94 VAL H H 94 9.406 9.406 8.090 1.316 19731 526 1 1 . 1 1 95 95 ALA N N 95 132.577 132.577 129.866 2.711 19731 527 1 1 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.023 0.712 19731 528 1 1 . 1 1 95 95 ALA C C 95 175.640 175.640 175.756 -0.116 19731 529 1 1 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.213 -0.022 19731 530 1 1 . 1 1 95 95 ALA CB C 95 20.210 20.210 20.278 -0.068 19731 531 1 1 . 1 1 95 95 ALA H H 95 10.008 10.008 9.194 0.814 19731 532 1 1 . 1 1 96 96 HIS N N 96 119.077 119.077 121.686 -2.609 19731 533 1 1 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.345 0.002 19731 534 1 1 . 1 1 96 96 HIS C C 96 171.543 171.543 173.835 -2.292 19731 535 1 1 . 1 1 96 96 HIS CA C 96 53.870 53.870 53.477 0.393 19731 536 1 1 . 1 1 96 96 HIS CB C 96 32.578 32.578 33.127 -0.549 19731 537 1 1 . 1 1 96 96 HIS H H 96 8.972 8.972 8.169 0.803 19731 538 1 1 . 1 1 97 97 ASP N N 97 115.983 115.983 120.617 -4.634 19731 539 1 1 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.264 0.431 19731 540 1 1 . 1 1 97 97 ASP C C 97 178.064 178.064 175.465 2.599 19731 541 1 1 . 1 1 97 97 ASP CA C 97 53.635 53.635 55.660 -2.025 19731 542 1 1 . 1 1 97 97 ASP CB C 97 40.249 40.249 41.153 -0.904 19731 543 1 1 . 1 1 97 97 ASP H H 97 10.517 10.517 8.069 2.448 19731 544 1 1 . 1 1 98 98 GLU N N 98 127.233 127.233 125.249 1.984 19731 545 1 1 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.636 0.519 19731 546 1 1 . 1 1 98 98 GLU C C 98 174.932 174.932 175.790 -0.858 19731 547 1 1 . 1 1 98 98 GLU CA C 98 53.635 53.635 54.814 -1.179 19731 548 1 1 . 1 1 98 98 GLU CB C 98 33.439 33.439 32.059 1.380 19731 549 1 1 . 1 1 98 98 GLU H H 98 9.194 9.194 7.943 1.251 19731 550 1 1 . 1 1 99 99 LEU N N 99 132.858 132.858 123.422 9.436 19731 551 1 1 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.771 -0.145 19731 552 1 1 . 1 1 99 99 LEU C C 99 178.128 178.128 177.819 0.309 19731 553 1 1 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.972 1.029 19731 554 1 1 . 1 1 99 99 LEU CB C 99 44.555 44.555 42.393 2.162 19731 555 1 1 . 1 1 99 99 LEU H H 99 8.692 8.692 8.880 -0.188 19731 556 1 1 . 1 1 100 100 ASP N N 100 113.733 113.733 120.927 -7.194 19731 557 1 1 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.546 0.065 19731 558 1 1 . 1 1 100 100 ASP C C 100 175.276 175.276 175.768 -0.492 19731 559 1 1 . 1 1 100 100 ASP CA C 100 54.966 54.966 56.314 -1.348 19731 560 1 1 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.386 -0.510 19731 561 1 1 . 1 1 100 100 ASP H H 100 9.191 9.191 7.903 1.288 19731 562 1 1 . 1 1 101 101 LEU N N 101 119.932 119.932 120.666 -0.734 19731 563 1 1 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.862 -0.061 19731 564 1 1 . 1 1 101 101 LEU C C 101 172.522 172.522 174.533 -2.011 19731 565 1 1 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.470 -0.105 19731 566 1 1 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.722 0.616 19731 567 1 1 . 1 1 101 101 LEU H H 101 7.427 7.427 7.533 -0.106 19731 568 1 1 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.388 0.093 19731 569 1 1 . 1 1 103 103 PRO C C 103 178.429 178.429 177.441 0.988 19731 570 1 1 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.245 -0.323 19731 571 1 1 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.442 -0.020 19731 572 1 1 . 1 1 104 104 GLY N N 104 113.733 113.733 113.129 0.604 19731 573 1 1 . 1 1 104 104 GLY C C 104 172.144 172.144 173.198 -1.054 19731 574 1 1 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.293 0.671 19731 575 1 1 . 1 1 104 104 GLY H H 104 9.826 9.826 8.585 1.241 19731 576 1 1 . 1 1 105 105 VAL N N 105 116.265 116.265 113.676 2.589 19731 577 1 1 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.375 -0.671 19731 578 1 1 . 1 1 105 105 VAL C C 105 174.654 174.654 173.568 1.086 19731 579 1 1 . 1 1 105 105 VAL CA C 105 60.523 60.523 58.430 2.093 19731 580 1 1 . 1 1 105 105 VAL CB C 105 34.927 34.927 34.647 0.280 19731 581 1 1 . 1 1 105 105 VAL H H 105 7.518 7.518 7.217 0.301 19731 582 1 1 . 1 1 106 106 ALA N N 106 129.764 129.764 124.549 5.215 19731 583 1 1 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.779 -0.364 19731 584 1 1 . 1 1 106 106 ALA C C 106 174.954 174.954 175.692 -0.738 19731 585 1 1 . 1 1 106 106 ALA CA C 106 51.521 51.521 49.840 1.681 19731 586 1 1 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.913 0.820 19731 587 1 1 . 1 1 106 106 ALA H H 106 9.484 9.484 8.318 1.166 19731 588 1 1 . 1 1 107 107 LYS N N 107 113.733 113.733 119.070 -5.337 19731 589 1 1 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.676 0.245 19731 590 1 1 . 1 1 107 107 LYS C C 107 176.262 176.262 174.298 1.964 19731 591 1 1 . 1 1 107 107 LYS CA C 107 54.574 54.574 56.529 -1.955 19731 592 1 1 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.196 3.427 19731 593 1 1 . 1 1 107 107 LYS H H 107 8.184 8.184 8.100 0.084 19731 594 1 1 . 1 1 108 108 PHE N N 108 122.733 122.733 126.198 -3.465 19731 595 1 1 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.617 1.404 19731 596 1 1 . 1 1 108 108 PHE C C 108 177.828 177.828 174.383 3.445 19731 597 1 1 . 1 1 108 108 PHE CA C 108 56.688 56.688 57.837 -1.149 19731 598 1 1 . 1 1 108 108 PHE CB C 108 42.128 42.128 40.807 1.321 19731 599 1 1 . 1 1 108 108 PHE H H 108 11.610 11.610 8.922 2.688 19731 600 1 1 . 1 1 109 109 LYS N N 109 122.733 122.733 127.530 -4.797 19731 601 1 1 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.433 0.170 19731 602 1 1 . 1 1 109 109 LYS C C 109 173.152 173.152 173.649 -0.497 19731 603 1 1 . 1 1 109 109 LYS CA C 109 56.218 56.218 53.976 2.242 19731 604 1 1 . 1 1 109 109 LYS CB C 109 38.449 38.449 34.999 3.450 19731 605 1 1 . 1 1 109 109 LYS H H 109 9.275 9.275 7.658 1.617 19731 606 1 1 . 1 1 110 110 GLN N N 110 126.952 126.952 125.923 1.029 19731 607 1 1 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.345 -0.219 19731 608 1 1 . 1 1 110 110 GLN C C 110 175.040 175.040 175.866 -0.826 19731 609 1 1 . 1 1 110 110 GLN CA C 110 55.891 55.891 55.128 0.763 19731 610 1 1 . 1 1 110 110 GLN CB C 110 29.447 29.447 31.057 -1.610 19731 611 1 1 . 1 1 110 110 GLN H H 110 8.910 8.910 8.495 0.415 19731 612 1 1 . 1 1 111 111 GLY N N 111 113.910 113.910 114.113 -0.203 19731 613 1 1 . 1 1 111 111 GLY C C 111 171.543 171.543 173.488 -1.945 19731 614 1 1 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.612 0.021 19731 615 1 1 . 1 1 111 111 GLY H H 111 7.170 7.170 8.022 -0.852 19731 616 1 1 . 1 1 112 112 GLY N N 112 102.365 102.365 112.336 -9.971 19731 617 1 1 . 1 1 112 112 GLY C C 112 174.954 174.954 173.338 1.616 19731 618 1 1 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.661 -1.280 19731 619 1 1 . 1 1 112 112 GLY H H 112 7.634 7.634 8.192 -0.558 19731 620 1 1 . 1 1 113 113 GLY N N 113 104.247 104.247 110.517 -6.270 19731 621 1 1 . 1 1 113 113 GLY C C 113 174.737 174.737 172.250 2.487 19731 622 1 1 . 1 1 113 113 GLY CA C 113 44.405 44.405 45.224 -0.819 19731 623 1 1 . 1 1 113 113 GLY H H 113 8.109 8.109 8.618 -0.509 19731 624 1 1 . 1 1 114 114 HIS N N 114 114.133 114.133 117.457 -3.324 19731 625 1 1 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.885 -0.364 19731 626 1 1 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.172 1.025 19731 627 1 1 . 1 1 114 114 HIS CB C 114 31.659 31.659 32.349 -0.690 19731 628 1 1 . 1 1 114 114 HIS H H 114 7.472 7.472 7.868 -0.396 19731 629 1 1 . 1 1 115 115 GLY N N 115 111.756 111.756 108.538 3.218 19731 630 1 1 . 1 1 115 115 GLY C C 115 175.298 175.298 175.069 0.229 19731 631 1 1 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.513 2.395 19731 632 1 1 . 1 1 115 115 GLY H H 115 8.472 8.472 8.622 -0.150 19731 633 1 1 . 1 1 116 116 GLY N N 116 112.890 112.890 108.251 4.639 19731 634 1 1 . 1 1 116 116 GLY C C 116 174.010 174.010 173.509 0.501 19731 635 1 1 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.517 -0.799 19731 636 1 1 . 1 1 116 116 GLY H H 116 11.124 11.124 8.483 2.641 19731 637 1 1 . 1 1 117 117 HIS N N 117 124.702 124.702 120.245 4.457 19731 638 1 1 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.820 -0.286 19731 639 1 1 . 1 1 117 117 HIS C C 117 177.485 177.485 174.647 2.838 19731 640 1 1 . 1 1 117 117 HIS CA C 117 57.152 57.152 55.023 2.129 19731 641 1 1 . 1 1 117 117 HIS CB C 117 32.422 32.422 33.432 -1.010 19731 642 1 1 . 1 1 117 117 HIS H H 117 8.275 8.275 8.250 0.025 19731 643 1 1 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.490 -0.137 19731 644 1 1 . 1 1 118 118 ASN C C 118 178.751 178.751 177.455 1.296 19731 645 1 1 . 1 1 118 118 ASN CA C 118 56.610 56.610 57.374 -0.764 19731 646 1 1 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.400 -0.186 19731 647 1 1 . 1 1 119 119 GLY N N 119 112.608 112.608 106.624 5.984 19731 648 1 1 . 1 1 119 119 GLY C C 119 177.163 177.163 175.567 1.596 19731 649 1 1 . 1 1 119 119 GLY CA C 119 47.373 47.373 46.718 0.655 19731 650 1 1 . 1 1 119 119 GLY H H 119 9.608 9.608 8.664 0.944 19731 651 1 1 . 1 1 120 120 LEU N N 120 125.827 125.827 121.671 4.156 19731 652 1 1 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.227 -0.254 19731 653 1 1 . 1 1 120 120 LEU C C 120 178.729 178.729 178.503 0.226 19731 654 1 1 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.996 0.944 19731 655 1 1 . 1 1 120 120 LEU CB C 120 42.833 42.833 41.729 1.104 19731 656 1 1 . 1 1 120 120 LEU H H 120 8.199 8.199 7.484 0.715 19731 657 1 1 . 1 1 121 121 LYS N N 121 119.921 119.921 119.500 0.421 19731 658 1 1 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.085 -0.404 19731 659 1 1 . 1 1 121 121 LYS C C 121 178.708 178.708 178.708 0.000 19731 660 1 1 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.492 2.345 19731 661 1 1 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.768 1.436 19731 662 1 1 . 1 1 121 121 LYS H H 121 8.760 8.760 8.255 0.505 19731 663 1 1 . 1 1 122 122 ASP N N 122 117.389 117.389 120.608 -3.219 19731 664 1 1 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.409 0.141 19731 665 1 1 . 1 1 122 122 ASP C C 122 178.107 178.107 177.954 0.153 19731 666 1 1 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.991 0.184 19731 667 1 1 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.577 3.117 19731 668 1 1 . 1 1 122 122 ASP H H 122 7.245 7.245 8.814 -1.569 19731 669 1 1 . 1 1 123 123 THR N N 123 116.546 116.546 110.217 6.329 19731 670 1 1 . 1 1 123 123 THR HA H 123 3.830 3.830 4.010 -0.180 19731 671 1 1 . 1 1 123 123 THR C C 123 174.696 174.696 175.972 -1.276 19731 672 1 1 . 1 1 123 123 THR CA C 123 69.447 69.447 64.965 4.482 19731 673 1 1 . 1 1 123 123 THR CB C 123 67.803 67.803 68.599 -0.796 19731 674 1 1 . 1 1 123 123 THR H H 123 7.639 7.639 7.770 -0.131 19731 675 1 1 . 1 1 124 124 ILE N N 124 118.736 118.736 122.039 -3.303 19731 676 1 1 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.782 0.611 19731 677 1 1 . 1 1 124 124 ILE C C 124 179.051 179.051 177.668 1.383 19731 678 1 1 . 1 1 124 124 ILE CA C 124 65.453 65.453 64.314 1.139 19731 679 1 1 . 1 1 124 124 ILE CB C 124 39.578 39.578 37.983 1.595 19731 680 1 1 . 1 1 124 124 ILE H H 124 8.078 8.078 7.629 0.449 19731 681 1 1 . 1 1 125 125 SER N N 125 110.921 110.921 115.802 -4.881 19731 682 1 1 . 1 1 125 125 SER HA H 125 4.177 4.177 4.178 -0.001 19731 683 1 1 . 1 1 125 125 SER C C 125 178.729 178.729 176.229 2.500 19731 684 1 1 . 1 1 125 125 SER CA C 125 61.619 61.619 60.955 0.664 19731 685 1 1 . 1 1 125 125 SER CB C 125 63.263 63.263 62.652 0.611 19731 686 1 1 . 1 1 125 125 SER H H 125 7.397 7.397 8.023 -0.626 19731 687 1 1 . 1 1 126 126 LYS N N 126 119.572 119.572 119.401 0.171 19731 688 1 1 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.273 -0.026 19731 689 1 1 . 1 1 126 126 LYS C C 126 178.407 178.407 177.325 1.082 19731 690 1 1 . 1 1 126 126 LYS CA C 126 58.019 58.019 56.395 1.624 19731 691 1 1 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.168 -0.294 19731 692 1 1 . 1 1 126 126 LYS H H 126 8.457 8.457 8.065 0.392 19731 693 1 1 . 1 1 127 127 LEU N N 127 119.633 119.633 116.752 2.881 19731 694 1 1 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.275 0.290 19731 695 1 1 . 1 1 127 127 LEU C C 127 176.542 176.542 177.381 -0.839 19731 696 1 1 . 1 1 127 127 LEU CA C 127 54.291 54.291 55.340 -1.048 19731 697 1 1 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.974 -2.523 19731 698 1 1 . 1 1 127 127 LEU H H 127 7.753 7.753 7.593 0.160 19731 699 1 1 . 1 1 128 128 GLY N N 128 107.827 107.827 107.210 0.617 19731 700 1 1 . 1 1 128 128 GLY C C 128 179.094 179.094 172.709 6.385 19731 701 1 1 . 1 1 128 128 GLY CA C 128 46.903 46.903 44.808 2.095 19731 702 1 1 . 1 1 128 128 GLY H H 128 7.773 7.773 8.019 -0.246 19731 703 1 1 . 1 1 129 129 ASN N N 129 115.879 115.879 122.568 -6.689 19731 704 1 1 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.819 -0.467 19731 705 1 1 . 1 1 129 129 ASN C C 129 175.028 175.028 174.583 0.445 19731 706 1 1 . 1 1 129 129 ASN CA C 129 54.261 54.261 51.885 2.376 19731 707 1 1 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.286 -1.246 19731 708 1 1 . 1 1 129 129 ASN H H 129 8.246 8.246 8.616 -0.370 19731 709 1 1 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.681 0.013 19731 710 1 1 . 1 1 131 131 LYS C C 131 178.450 178.450 176.611 1.839 19731 711 1 1 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.957 -0.403 19731 712 1 1 . 1 1 131 131 LYS CB C 131 33.204 33.204 33.608 -0.404 19731 713 1 1 . 1 1 132 132 GLU N N 132 119.297 119.297 119.537 -0.240 19731 714 1 1 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.124 -0.251 19731 715 1 1 . 1 1 132 132 GLU C C 132 175.318 175.318 175.315 0.003 19731 716 1 1 . 1 1 132 132 GLU CA C 132 56.923 56.923 56.161 0.762 19731 717 1 1 . 1 1 132 132 GLU CB C 132 27.803 27.803 29.196 -1.393 19731 718 1 1 . 1 1 132 132 GLU H H 132 8.699 8.699 8.424 0.275 19731 719 1 1 . 1 1 133 133 PHE N N 133 114.296 114.296 115.188 -0.892 19731 720 1 1 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.625 0.442 19731 721 1 1 . 1 1 133 133 PHE C C 133 177.785 177.785 174.768 3.017 19731 722 1 1 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.655 -0.454 19731 723 1 1 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.972 1.276 19731 724 1 1 . 1 1 133 133 PHE H H 133 6.669 6.669 7.402 -0.733 19731 725 1 1 . 1 1 134 134 TYR N N 134 121.046 121.046 121.554 -0.508 19731 726 1 1 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.028 -0.055 19731 727 1 1 . 1 1 134 134 TYR C C 134 176.219 176.219 176.116 0.103 19731 728 1 1 . 1 1 134 134 TYR CA C 134 59.506 59.506 55.783 3.723 19731 729 1 1 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.634 1.024 19731 730 1 1 . 1 1 134 134 TYR H H 134 9.230 9.230 8.019 1.211 19731 731 1 1 . 1 1 135 135 ARG N N 135 119.639 119.639 117.884 1.755 19731 732 1 1 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.028 0.880 19731 733 1 1 . 1 1 135 135 ARG C C 135 174.353 174.353 173.736 0.617 19731 734 1 1 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.695 -0.937 19731 735 1 1 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.715 -1.528 19731 736 1 1 . 1 1 135 135 ARG H H 135 9.896 9.896 8.518 1.378 19731 737 1 1 . 1 1 136 136 LEU N N 136 126.108 126.108 117.677 8.431 19731 738 1 1 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.309 -0.451 19731 739 1 1 . 1 1 136 136 LEU C C 136 173.131 173.131 175.913 -2.782 19731 740 1 1 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.446 1.285 19731 741 1 1 . 1 1 136 136 LEU CB C 136 42.989 42.989 44.744 -1.755 19731 742 1 1 . 1 1 136 136 LEU H H 136 8.601 8.601 9.122 -0.521 19731 743 1 1 . 1 1 137 137 ARG N N 137 124.421 124.421 119.524 4.897 19731 744 1 1 . 1 1 137 137 ARG HA H 137 3.540 3.540 4.488 -0.948 19731 745 1 1 . 1 1 137 137 ARG C C 137 174.010 174.010 175.162 -1.152 19731 746 1 1 . 1 1 137 137 ARG CA C 137 54.484 54.484 54.882 -0.398 19731 747 1 1 . 1 1 137 137 ARG CB C 137 32.265 32.265 31.943 0.322 19731 748 1 1 . 1 1 137 137 ARG H H 137 9.230 9.230 9.003 0.227 19731 749 1 1 . 1 1 138 138 LEU N N 138 125.827 125.827 125.063 0.764 19731 750 1 1 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.946 -0.497 19731 751 1 1 . 1 1 138 138 LEU C C 138 175.940 175.940 176.249 -0.309 19731 752 1 1 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.328 0.541 19731 753 1 1 . 1 1 138 138 LEU CB C 138 41.580 41.580 42.609 -1.029 19731 754 1 1 . 1 1 138 138 LEU H H 138 8.640 8.640 7.682 0.958 19731 755 1 1 . 1 1 139 139 GLY N N 139 113.171 113.171 111.228 1.943 19731 756 1 1 . 1 1 139 139 GLY C C 139 174.353 174.353 174.232 0.121 19731 757 1 1 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.486 3.296 19731 758 1 1 . 1 1 139 139 GLY H H 139 8.578 8.578 9.081 -0.503 19731 759 1 1 . 1 1 140 140 ILE N N 140 112.046 112.046 119.809 -7.763 19731 760 1 1 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.550 0.211 19731 761 1 1 . 1 1 140 140 ILE C C 140 178.707 178.707 174.951 3.756 19731 762 1 1 . 1 1 140 140 ILE CA C 140 60.837 60.837 60.249 0.588 19731 763 1 1 . 1 1 140 140 ILE CB C 140 42.050 42.050 39.411 2.639 19731 764 1 1 . 1 1 140 140 ILE H H 140 8.125 8.125 8.893 -0.768 19731 765 1 1 . 1 1 141 141 GLY N N 141 116.265 116.265 108.934 7.331 19731 766 1 1 . 1 1 141 141 GLY C C 141 167.232 167.232 172.568 -5.336 19731 767 1 1 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.546 0.870 19731 768 1 1 . 1 1 141 141 GLY H H 141 9.411 9.411 7.816 1.595 19731 769 1 1 . 1 1 142 142 HIS N N 142 113.452 113.452 121.811 -8.359 19731 770 1 1 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.848 -0.483 19731 771 1 1 . 1 1 142 142 HIS C C 142 175.640 175.640 173.385 2.255 19731 772 1 1 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.657 1.429 19731 773 1 1 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.705 3.908 19731 774 1 1 . 1 1 142 142 HIS H H 142 7.578 7.578 8.367 -0.789 19731 775 1 1 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.398 0.225 19731 776 1 1 . 1 1 143 143 PRO C C 143 176.842 176.842 175.910 0.932 19731 777 1 1 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.044 -0.122 19731 778 1 1 . 1 1 143 143 PRO CB C 143 32.828 32.828 31.949 0.879 19731 779 1 1 . 1 1 144 144 GLY N N 144 106.468 106.468 111.228 -4.760 19731 780 1 1 . 1 1 144 144 GLY C C 144 173.411 173.411 173.809 -0.398 19731 781 1 1 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.450 -0.229 19731 782 1 1 . 1 1 144 144 GLY H H 144 8.133 8.133 8.526 -0.393 19731 783 1 1 . 1 1 145 145 HIS N N 145 117.271 117.271 123.003 -5.732 19731 784 1 1 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.901 -0.367 19731 785 1 1 . 1 1 145 145 HIS C C 145 176.636 176.636 176.018 0.618 19731 786 1 1 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.685 1.394 19731 787 1 1 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.210 2.934 19731 788 1 1 . 1 1 145 145 HIS H H 145 7.067 7.067 9.095 -2.028 19731 789 1 1 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.156 0.086 19731 790 1 1 . 1 1 146 146 LYS C C 146 178.429 178.429 177.411 1.018 19731 791 1 1 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.400 0.147 19731 792 1 1 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.517 -0.252 19731 793 1 1 . 1 1 147 147 ASP N N 147 122.171 122.171 117.053 5.118 19731 794 1 1 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.682 -0.045 19731 795 1 1 . 1 1 147 147 ASP C C 147 177.442 177.442 176.834 0.608 19731 796 1 1 . 1 1 147 147 ASP CA C 147 56.140 56.140 55.969 0.171 19731 797 1 1 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.969 -0.876 19731 798 1 1 . 1 1 147 147 ASP H H 147 10.805 10.805 8.576 2.229 19731 799 1 1 . 1 1 148 148 LYS N N 148 116.546 116.546 119.375 -2.829 19731 800 1 1 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.512 0.002 19731 801 1 1 . 1 1 148 148 LYS C C 148 177.163 177.163 177.227 -0.064 19731 802 1 1 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.534 1.293 19731 803 1 1 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.980 2.633 19731 804 1 1 . 1 1 148 148 LYS H H 148 7.775 7.775 7.786 -0.011 19731 805 1 1 . 1 1 149 149 VAL N N 149 121.046 121.046 116.983 4.063 19731 806 1 1 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.388 -0.143 19731 807 1 1 . 1 1 149 149 VAL C C 149 176.241 176.241 176.792 -0.551 19731 808 1 1 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.790 2.405 19731 809 1 1 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.394 0.715 19731 810 1 1 . 1 1 149 149 VAL H H 149 7.366 7.366 7.426 -0.060 19731 811 1 1 . 1 1 150 150 ALA N N 150 121.889 121.889 121.444 0.445 19731 812 1 1 . 1 1 150 150 ALA HA H 150 4.049 4.049 4.089 -0.040 19731 813 1 1 . 1 1 150 150 ALA C C 150 180.016 180.016 179.192 0.824 19731 814 1 1 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.272 1.555 19731 815 1 1 . 1 1 150 150 ALA CB C 150 17.627 17.627 18.052 -0.425 19731 816 1 1 . 1 1 150 150 ALA H H 150 8.675 8.675 8.220 0.455 19731 817 1 1 . 1 1 151 151 GLY N N 151 102.202 102.202 105.664 -3.462 19731 818 1 1 . 1 1 151 151 GLY C C 151 175.919 175.919 175.507 0.412 19731 819 1 1 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.481 -0.517 19731 820 1 1 . 1 1 151 151 GLY H H 151 8.366 8.366 7.553 0.813 19731 821 1 1 . 1 1 152 152 TYR N N 152 123.296 123.296 120.202 3.094 19731 822 1 1 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.451 -0.220 19731 823 1 1 . 1 1 152 152 TYR C C 152 179.694 179.694 178.686 1.008 19731 824 1 1 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.468 2.917 19731 825 1 1 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.801 2.683 19731 826 1 1 . 1 1 152 152 TYR H H 152 7.942 7.942 7.217 0.725 19731 827 1 1 . 1 1 153 153 VAL N N 153 112.890 112.890 119.475 -6.585 19731 828 1 1 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.827 0.201 19731 829 1 1 . 1 1 153 153 VAL C C 153 175.620 175.620 176.663 -1.043 19731 830 1 1 . 1 1 153 153 VAL CA C 153 65.142 65.142 66.895 -1.754 19731 831 1 1 . 1 1 153 153 VAL CB C 153 31.091 31.091 31.994 -0.903 19731 832 1 1 . 1 1 153 153 VAL H H 153 8.618 8.618 8.019 0.599 19731 833 1 1 . 1 1 154 154 LEU N N 154 117.108 117.108 111.746 5.362 19731 834 1 1 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.777 -0.060 19731 835 1 1 . 1 1 154 154 LEU C C 154 175.297 175.297 175.899 -0.602 19731 836 1 1 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.331 0.617 19731 837 1 1 . 1 1 154 154 LEU CB C 154 40.641 40.641 40.715 -0.074 19731 838 1 1 . 1 1 154 154 LEU H H 154 6.897 6.897 7.255 -0.358 19731 839 1 1 . 1 1 155 155 GLY N N 155 107.827 107.827 108.700 -0.873 19731 840 1 1 . 1 1 155 155 GLY C C 155 171.844 171.844 172.916 -1.072 19731 841 1 1 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.932 -0.317 19731 842 1 1 . 1 1 155 155 GLY H H 155 7.351 7.351 7.837 -0.486 19731 843 1 1 . 1 1 156 156 LYS N N 156 118.233 118.233 119.943 -1.710 19731 844 1 1 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.456 0.200 19731 845 1 1 . 1 1 156 156 LYS C C 156 176.541 176.541 176.617 -0.076 19731 846 1 1 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.631 -0.744 19731 847 1 1 . 1 1 156 156 LYS CB C 156 33.518 33.518 33.318 0.200 19731 848 1 1 . 1 1 156 156 LYS H H 156 8.154 8.154 8.490 -0.336 19731 849 1 1 . 1 1 157 157 ALA N N 157 130.608 130.608 129.987 0.621 19731 850 1 1 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.640 -0.246 19731 851 1 1 . 1 1 157 157 ALA C C 157 175.876 175.876 175.143 0.733 19731 852 1 1 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.532 1.363 19731 853 1 1 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.480 -0.696 19731 854 1 1 . 1 1 157 157 ALA H H 157 9.777 9.777 8.313 1.464 19731 855 1 1 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.380 0.136 19731 856 1 1 . 1 1 158 158 PRO C C 158 176.532 176.532 177.228 -0.696 19731 857 1 1 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.560 -0.394 19731 858 1 1 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.227 0.116 19731 859 1 1 . 1 1 159 159 ALA N N 159 123.733 123.733 126.973 -3.240 19731 860 1 1 . 1 1 159 159 ALA HA H 159 4.044 4.044 3.982 0.062 19731 861 1 1 . 1 1 159 159 ALA C C 159 179.706 179.706 179.281 0.425 19731 862 1 1 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.345 1.421 19731 863 1 1 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.534 0.345 19731 864 1 1 . 1 1 159 159 ALA H H 159 8.575 8.575 8.585 -0.010 19731 865 1 1 . 1 1 160 160 LYS N N 160 116.796 116.796 115.878 0.918 19731 866 1 1 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.269 -0.112 19731 867 1 1 . 1 1 160 160 LYS C C 160 179.115 179.115 177.775 1.340 19731 868 1 1 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.469 0.489 19731 869 1 1 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.889 -0.328 19731 870 1 1 . 1 1 160 160 LYS H H 160 8.883 8.883 8.313 0.570 19731 871 1 1 . 1 1 161 161 GLU N N 161 118.514 118.514 119.632 -1.118 19731 872 1 1 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.130 -0.016 19731 873 1 1 . 1 1 161 161 GLU C C 161 178.707 178.707 179.276 -0.569 19731 874 1 1 . 1 1 161 161 GLU CA C 161 59.349 59.349 57.991 1.358 19731 875 1 1 . 1 1 161 161 GLU CB C 161 31.247 31.247 30.114 1.133 19731 876 1 1 . 1 1 161 161 GLU H H 161 6.988 6.988 7.797 -0.809 19731 877 1 1 . 1 1 162 162 GLN N N 162 120.202 120.202 119.754 0.448 19731 878 1 1 . 1 1 162 162 GLN HA H 162 3.700 3.700 3.965 -0.265 19731 879 1 1 . 1 1 162 162 GLN C C 162 177.184 177.184 178.185 -1.001 19731 880 1 1 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.773 -0.754 19731 881 1 1 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.417 -0.144 19731 882 1 1 . 1 1 162 162 GLN H H 162 8.988 8.988 8.397 0.591 19731 883 1 1 . 1 1 163 163 GLU N N 163 117.952 117.952 119.737 -1.785 19731 884 1 1 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.110 0.030 19731 885 1 1 . 1 1 163 163 GLU C C 163 180.273 180.273 178.907 1.366 19731 886 1 1 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.373 0.524 19731 887 1 1 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.315 0.445 19731 888 1 1 . 1 1 163 163 GLU H H 163 8.063 8.063 8.379 -0.316 19731 889 1 1 . 1 1 164 164 CYS N N 164 118.796 118.796 116.799 1.997 19731 890 1 1 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.245 -0.105 19731 891 1 1 . 1 1 164 164 CYS C C 164 176.562 176.562 176.658 -0.096 19731 892 1 1 . 1 1 164 164 CYS CA C 164 63.420 63.420 62.407 1.013 19731 893 1 1 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.223 0.093 19731 894 1 1 . 1 1 164 164 CYS H H 164 7.306 7.306 7.915 -0.609 19731 895 1 1 . 1 1 165 165 LEU N N 165 121.327 121.327 122.455 -1.128 19731 896 1 1 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.152 0.145 19731 897 1 1 . 1 1 165 165 LEU C C 165 179.029 179.029 178.140 0.889 19731 898 1 1 . 1 1 165 165 LEU CA C 165 58.410 58.410 57.592 0.818 19731 899 1 1 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.849 0.436 19731 900 1 1 . 1 1 165 165 LEU H H 165 8.357 8.357 7.345 1.012 19731 901 1 1 . 1 1 166 166 ASP N N 166 119.358 119.358 119.958 -0.600 19731 902 1 1 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.411 -0.180 19731 903 1 1 . 1 1 166 166 ASP C C 166 179.029 179.029 178.507 0.522 19731 904 1 1 . 1 1 166 166 ASP CA C 166 57.392 57.392 58.438 -1.046 19731 905 1 1 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.803 -1.102 19731 906 1 1 . 1 1 166 166 ASP H H 166 9.169 9.169 8.419 0.750 19731 907 1 1 . 1 1 167 167 ALA N N 167 122.171 122.171 121.981 0.190 19731 908 1 1 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.159 0.163 19731 909 1 1 . 1 1 167 167 ALA C C 167 180.616 180.616 179.467 1.149 19731 910 1 1 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.198 -0.232 19731 911 1 1 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.439 0.049 19731 912 1 1 . 1 1 167 167 ALA H H 167 7.745 7.745 7.893 -0.148 19731 913 1 1 . 1 1 168 168 ALA N N 168 122.452 122.452 121.557 0.895 19731 914 1 1 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.035 0.029 19731 915 1 1 . 1 1 168 168 ALA C C 168 180.917 180.917 179.301 1.616 19731 916 1 1 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.873 0.562 19731 917 1 1 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.470 -0.764 19731 918 1 1 . 1 1 168 168 ALA H H 168 8.164 8.164 7.530 0.634 19731 919 1 1 . 1 1 169 169 VAL N N 169 124.702 124.702 118.705 5.997 19731 920 1 1 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.640 -0.198 19731 921 1 1 . 1 1 169 169 VAL C C 169 177.442 177.442 178.065 -0.623 19731 922 1 1 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.782 0.942 19731 923 1 1 . 1 1 169 169 VAL CB C 169 31.639 31.639 30.827 0.812 19731 924 1 1 . 1 1 169 169 VAL H H 169 9.052 9.052 8.254 0.798 19731 925 1 1 . 1 1 170 170 ASP N N 170 119.358 119.358 118.798 0.560 19731 926 1 1 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.310 -0.075 19731 927 1 1 . 1 1 170 170 ASP C C 170 178.750 178.750 178.374 0.376 19731 928 1 1 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.784 0.078 19731 929 1 1 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.978 -0.259 19731 930 1 1 . 1 1 170 170 ASP H H 170 8.139 8.139 8.415 -0.276 19731 931 1 1 . 1 1 171 171 GLU N N 171 119.639 119.639 118.752 0.887 19731 932 1 1 . 1 1 171 171 GLU HA H 171 4.142 4.142 4.070 0.072 19731 933 1 1 . 1 1 171 171 GLU C C 171 179.050 179.050 178.732 0.318 19731 934 1 1 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.555 -0.380 19731 935 1 1 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.674 -0.558 19731 936 1 1 . 1 1 171 171 GLU H H 171 7.821 7.821 7.533 0.288 19731 937 1 1 . 1 1 172 172 SER N N 172 119.251 119.251 116.488 2.763 19731 938 1 1 . 1 1 172 172 SER HA H 172 3.818 3.818 4.294 -0.476 19731 939 1 1 . 1 1 172 172 SER C C 172 175.919 175.919 176.435 -0.516 19731 940 1 1 . 1 1 172 172 SER CA C 172 64.594 64.594 61.516 3.078 19731 941 1 1 . 1 1 172 172 SER CB C 172 62.794 62.794 62.986 -0.192 19731 942 1 1 . 1 1 172 172 SER H H 172 8.457 8.457 8.494 -0.037 19731 943 1 1 . 1 1 173 173 VAL N N 173 121.889 121.889 116.107 5.782 19731 944 1 1 . 1 1 173 173 VAL HA H 173 3.462 3.462 4.027 -0.565 19731 945 1 1 . 1 1 173 173 VAL C C 173 178.407 178.407 176.920 1.487 19731 946 1 1 . 1 1 173 173 VAL CA C 173 67.803 67.803 64.625 3.178 19731 947 1 1 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.258 0.146 19731 948 1 1 . 1 1 173 173 VAL H H 173 8.316 8.316 7.740 0.576 19731 949 1 1 . 1 1 174 174 ARG N N 174 118.796 118.796 119.051 -0.255 19731 950 1 1 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.271 -0.139 19731 951 1 1 . 1 1 174 174 ARG C C 174 180.938 180.938 178.399 2.539 19731 952 1 1 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.686 0.820 19731 953 1 1 . 1 1 174 174 ARG CB C 174 30.073 30.073 30.061 0.012 19731 954 1 1 . 1 1 174 174 ARG H H 174 7.669 7.669 7.353 0.316 19731 955 1 1 . 1 1 175 175 CYS N N 175 117.070 117.070 117.031 0.039 19731 956 1 1 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.275 0.052 19731 957 1 1 . 1 1 175 175 CYS C C 175 176.541 176.541 176.375 0.166 19731 958 1 1 . 1 1 175 175 CYS CA C 175 64.437 64.437 61.100 3.337 19731 959 1 1 . 1 1 175 175 CYS CB C 175 27.255 27.255 27.559 -0.304 19731 960 1 1 . 1 1 175 175 CYS H H 175 8.649 8.649 8.408 0.241 19731 961 1 1 . 1 1 176 176 LEU N N 176 125.264 125.264 121.192 4.072 19731 962 1 1 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.951 0.129 19731 963 1 1 . 1 1 176 176 LEU C C 176 178.450 178.450 178.993 -0.543 19731 964 1 1 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.493 0.369 19731 965 1 1 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.227 0.666 19731 966 1 1 . 1 1 176 176 LEU H H 176 8.699 8.699 8.010 0.689 19731 967 1 1 . 1 1 177 177 GLU N N 177 118.260 118.260 119.627 -1.367 19731 968 1 1 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.014 -0.253 19731 969 1 1 . 1 1 177 177 GLU C C 177 179.029 179.029 178.749 0.280 19731 970 1 1 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.319 1.204 19731 971 1 1 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.436 -0.224 19731 972 1 1 . 1 1 177 177 GLU H H 177 7.533 7.533 7.596 -0.063 19731 973 1 1 . 1 1 178 178 ILE N N 178 118.788 118.788 119.939 -1.151 19731 974 1 1 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.688 -0.011 19731 975 1 1 . 1 1 178 178 ILE C C 178 177.785 177.785 178.166 -0.381 19731 976 1 1 . 1 1 178 178 ILE CA C 178 65.142 65.142 64.486 0.656 19731 977 1 1 . 1 1 178 178 ILE CB C 178 38.527 38.527 37.723 0.804 19731 978 1 1 . 1 1 178 178 ILE H H 178 7.384 7.384 7.201 0.183 19731 979 1 1 . 1 1 179 179 LEU N N 179 123.577 123.577 121.960 1.617 19731 980 1 1 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.062 -0.362 19731 981 1 1 . 1 1 179 179 LEU C C 179 178.129 178.129 178.148 -0.019 19731 982 1 1 . 1 1 179 179 LEU CA C 179 58.645 58.645 57.799 0.846 19731 983 1 1 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.547 -0.654 19731 984 1 1 . 1 1 179 179 LEU H H 179 8.503 8.503 8.055 0.448 19731 985 1 1 . 1 1 180 180 MET N N 180 113.171 113.171 113.444 -0.273 19731 986 1 1 . 1 1 180 180 MET HA H 180 4.186 4.186 4.326 -0.140 19731 987 1 1 . 1 1 180 180 MET C C 180 176.498 176.498 177.394 -0.896 19731 988 1 1 . 1 1 180 180 MET CA C 180 55.905 55.905 57.841 -1.936 19731 989 1 1 . 1 1 180 180 MET CB C 180 31.013 31.013 32.853 -1.840 19731 990 1 1 . 1 1 180 180 MET H H 180 7.139 7.139 7.570 -0.431 19731 991 1 1 . 1 1 181 181 LYS N N 181 117.952 117.952 121.817 -3.865 19731 992 1 1 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.289 -0.016 19731 993 1 1 . 1 1 181 181 LYS C C 181 176.542 176.542 177.047 -0.505 19731 994 1 1 . 1 1 181 181 LYS CA C 181 58.723 58.723 58.227 0.496 19731 995 1 1 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.588 1.339 19731 996 1 1 . 1 1 181 181 LYS H H 181 7.665 7.665 7.651 0.014 19731 997 1 1 . 1 1 182 182 ASP N N 182 116.827 116.827 117.005 -0.178 19731 998 1 1 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.796 0.124 19731 999 1 1 . 1 1 182 182 ASP C C 182 177.485 177.485 174.498 2.987 19731 1000 1 1 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.156 1.731 19731 1001 1 1 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.638 1.152 19731 1002 1 1 . 1 1 182 182 ASP H H 182 9.191 9.191 8.227 0.964 19731 1003 1 1 . 1 1 183 183 GLY N N 183 110.358 110.358 106.806 3.552 19731 1004 1 1 . 1 1 183 183 GLY C C 183 173.410 173.410 173.815 -0.405 19731 1005 1 1 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.491 0.150 19731 1006 1 1 . 1 1 183 183 GLY H H 183 7.745 7.745 7.378 0.367 19731 1007 1 1 . 1 1 184 184 LEU N N 184 118.796 118.796 117.090 1.706 19731 1008 1 1 . 1 1 184 184 LEU HA H 184 3.700 3.700 3.926 -0.226 19731 1009 1 1 . 1 1 184 184 LEU C C 184 177.506 177.506 177.803 -0.297 19731 1010 1 1 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.438 0.972 19731 1011 1 1 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.559 0.647 19731 1012 1 1 . 1 1 184 184 LEU H H 184 8.381 8.381 8.414 -0.033 19731 1013 1 1 . 1 1 185 185 THR N N 185 115.421 115.421 114.173 1.248 19731 1014 1 1 . 1 1 185 185 THR HA H 185 3.819 3.819 3.958 -0.139 19731 1015 1 1 . 1 1 185 185 THR C C 185 176.520 176.520 176.202 0.318 19731 1016 1 1 . 1 1 185 185 THR CA C 185 67.021 67.021 65.653 1.368 19731 1017 1 1 . 1 1 185 185 THR CB C 185 68.351 68.351 68.274 0.077 19731 1018 1 1 . 1 1 185 185 THR H H 185 8.336 8.336 8.106 0.230 19731 1019 1 1 . 1 1 186 186 LYS N N 186 120.202 120.202 121.868 -1.666 19731 1020 1 1 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.079 -0.121 19731 1021 1 1 . 1 1 186 186 LYS C C 186 179.329 179.329 178.366 0.963 19731 1022 1 1 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.737 0.810 19731 1023 1 1 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.679 0.664 19731 1024 1 1 . 1 1 186 186 LYS H H 186 8.237 8.237 7.358 0.879 19731 1025 1 1 . 1 1 187 187 ALA N N 187 121.889 121.889 121.881 0.008 19731 1026 1 1 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.013 -0.100 19731 1027 1 1 . 1 1 187 187 ALA C C 187 178.772 178.772 179.634 -0.862 19731 1028 1 1 . 1 1 187 187 ALA CA C 187 55.905 55.905 54.970 0.935 19731 1029 1 1 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.055 1.529 19731 1030 1 1 . 1 1 187 187 ALA H H 187 7.566 7.566 7.509 0.057 19731 1031 1 1 . 1 1 188 188 GLN N N 188 117.952 117.952 119.070 -1.118 19731 1032 1 1 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.975 -0.166 19731 1033 1 1 . 1 1 188 188 GLN C C 188 176.863 176.863 178.009 -1.146 19731 1034 1 1 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.764 0.272 19731 1035 1 1 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.304 0.752 19731 1036 1 1 . 1 1 188 188 GLN H H 188 9.125 9.125 8.397 0.728 19731 1037 1 1 . 1 1 189 189 ASN N N 189 117.100 117.100 116.600 0.500 19731 1038 1 1 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.264 0.162 19731 1039 1 1 . 1 1 189 189 ASN C C 189 177.463 177.463 177.063 0.400 19731 1040 1 1 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.246 -0.576 19731 1041 1 1 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.468 -0.489 19731 1042 1 1 . 1 1 189 189 ASN H H 189 8.275 8.275 8.046 0.229 19731 1043 1 1 . 1 1 190 190 ARG N N 190 117.389 117.389 120.370 -2.981 19731 1044 1 1 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.219 0.276 19731 1045 1 1 . 1 1 190 190 ARG C C 190 178.428 178.428 178.476 -0.048 19731 1046 1 1 . 1 1 190 190 ARG CA C 190 59.036 59.036 57.300 1.736 19731 1047 1 1 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.609 0.151 19731 1048 1 1 . 1 1 190 190 ARG H H 190 7.230 7.230 7.229 0.001 19731 1049 1 1 . 1 1 191 191 LEU N N 191 122.155 122.155 121.887 0.268 19731 1050 1 1 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.415 -0.275 19731 1051 1 1 . 1 1 191 191 LEU C C 191 179.373 179.373 179.437 -0.064 19731 1052 1 1 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.028 0.617 19731 1053 1 1 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.991 -0.489 19731 1054 1 1 . 1 1 191 191 LEU H H 191 8.624 8.624 8.679 -0.055 19731 1055 1 1 . 1 1 192 192 HIS N N 192 113.452 113.452 111.071 2.381 19731 1056 1 1 . 1 1 192 192 HIS HA H 192 5.091 5.091 5.054 0.037 19731 1057 1 1 . 1 1 192 192 HIS C C 192 177.163 177.163 175.968 1.195 19731 1058 1 1 . 1 1 192 192 HIS CA C 192 57.001 57.001 56.104 0.897 19731 1059 1 1 . 1 1 192 192 HIS CB C 192 28.351 28.351 28.907 -0.556 19731 1060 1 1 . 1 1 192 192 HIS H H 192 9.017 9.017 7.626 1.391 19731 1061 1 1 . 1 1 193 193 THR N N 193 110.077 110.077 114.486 -4.409 19731 1062 1 1 . 1 1 193 193 THR HA H 193 4.499 4.499 4.323 0.176 19731 1063 1 1 . 1 1 193 193 THR C C 193 174.053 174.053 174.114 -0.061 19731 1064 1 1 . 1 1 193 193 THR CA C 193 62.011 62.011 64.408 -2.397 19731 1065 1 1 . 1 1 193 193 THR CB C 193 69.995 69.995 69.704 0.291 19731 1066 1 1 . 1 1 193 193 THR H H 193 7.632 7.632 7.372 0.260 19731 1067 1 1 . 1 1 194 194 PHE N N 194 124.702 124.702 125.208 -0.506 19731 1068 1 1 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.499 -0.050 19731 1069 1 1 . 1 1 194 194 PHE C C 194 175.640 175.640 173.507 2.133 19731 1070 1 1 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.875 1.396 19731 1071 1 1 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.070 -0.212 19731 1072 1 1 . 1 1 194 194 PHE H H 194 7.722 7.722 7.860 -0.138 19731 1073 1 1 . 1 1 195 195 LYS N N 195 128.639 128.639 126.371 2.268 19731 1074 1 1 . 1 1 195 195 LYS HA H 195 4.195 4.195 5.203 -1.008 19731 1075 1 1 . 1 1 195 195 LYS C C 195 174.032 174.032 174.338 -0.306 19731 1076 1 1 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.238 3.215 19731 1077 1 1 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.755 -0.828 19731 1078 1 1 . 1 1 195 195 LYS H H 195 7.615 7.615 7.512 0.103 19731 1079 1 1 . 1 1 196 196 ALA N N 196 129.483 129.483 125.462 4.021 19731 1080 1 1 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.115 0.164 19731 1081 1 1 . 1 1 196 196 ALA C C 196 175.619 175.619 176.750 -1.131 19731 1082 1 1 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.543 -0.395 19731 1083 1 1 . 1 1 196 196 ALA CB C 196 20.602 20.602 18.658 1.944 19731 1084 1 1 . 1 1 196 196 ALA H H 196 8.324 8.324 8.011 0.313 19731 1085 1 2 . 1 1 2 2 VAL N N 2 122.420 122.420 117.529 4.891 19731 1086 1 2 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.447 -0.280 19731 1087 1 2 . 1 1 2 2 VAL C C 2 175.919 175.919 175.734 0.185 19731 1088 1 2 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.057 1.110 19731 1089 1 2 . 1 1 2 2 VAL CB C 2 33.109 33.109 33.585 -0.476 19731 1090 1 2 . 1 1 2 2 VAL H H 2 8.260 8.260 8.335 -0.075 19731 1091 1 2 . 1 1 3 3 SER N N 3 119.915 119.915 117.157 2.758 19731 1092 1 2 . 1 1 3 3 SER HA H 3 4.134 4.134 4.474 -0.340 19731 1093 1 2 . 1 1 3 3 SER C C 3 173.731 173.731 174.014 -0.283 19731 1094 1 2 . 1 1 3 3 SER CA C 3 58.253 58.253 58.446 -0.193 19731 1095 1 2 . 1 1 3 3 SER CB C 3 63.811 63.811 63.713 0.098 19731 1096 1 2 . 1 1 3 3 SER H H 3 8.381 8.381 8.516 -0.135 19731 1097 1 2 . 1 1 4 4 GLN N N 4 123.810 123.810 121.779 2.031 19731 1098 1 2 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.585 -0.116 19731 1099 1 2 . 1 1 4 4 GLN C C 4 174.067 174.067 173.584 0.483 19731 1100 1 2 . 1 1 4 4 GLN CA C 4 53.478 53.478 52.873 0.605 19731 1101 1 2 . 1 1 4 4 GLN CB C 4 29.394 29.394 28.610 0.784 19731 1102 1 2 . 1 1 4 4 GLN H H 4 8.412 8.412 7.682 0.730 19731 1103 1 2 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.461 -0.115 19731 1104 1 2 . 1 1 5 5 PRO C C 5 176.242 176.242 175.891 0.351 19731 1105 1 2 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.399 1.929 19731 1106 1 2 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.197 0.350 19731 1107 1 2 . 1 1 6 6 ILE N N 6 114.232 114.232 125.218 -10.986 19731 1108 1 2 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.936 0.235 19731 1109 1 2 . 1 1 6 6 ILE C C 6 175.577 175.577 176.741 -1.164 19731 1110 1 2 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.161 -3.125 19731 1111 1 2 . 1 1 6 6 ILE CB C 6 38.684 38.684 37.772 0.912 19731 1112 1 2 . 1 1 6 6 ILE H H 6 7.745 7.745 8.530 -0.785 19731 1113 1 2 . 1 1 7 7 LYS N N 7 121.791 121.791 126.026 -4.235 19731 1114 1 2 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.273 0.215 19731 1115 1 2 . 1 1 7 7 LYS C C 7 175.898 175.898 176.334 -0.436 19731 1116 1 2 . 1 1 7 7 LYS CA C 7 56.766 56.766 57.469 -0.703 19731 1117 1 2 . 1 1 7 7 LYS CB C 7 37.281 37.281 33.714 3.567 19731 1118 1 2 . 1 1 7 7 LYS H H 7 9.462 9.462 8.155 1.307 19731 1119 1 2 . 1 1 8 8 LEU N N 8 122.642 122.642 111.904 10.738 19731 1120 1 2 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.378 -0.191 19731 1121 1 2 . 1 1 8 8 LEU C C 8 171.543 171.543 174.356 -2.813 19731 1122 1 2 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.800 -0.581 19731 1123 1 2 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.731 0.144 19731 1124 1 2 . 1 1 8 8 LEU H H 8 7.532 7.532 7.284 0.248 19731 1125 1 2 . 1 1 9 9 LEU N N 9 128.904 128.904 119.492 9.412 19731 1126 1 2 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.291 0.260 19731 1127 1 2 . 1 1 9 9 LEU C C 9 173.410 173.410 175.201 -1.791 19731 1128 1 2 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.686 0.377 19731 1129 1 2 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.959 0.604 19731 1130 1 2 . 1 1 9 9 LEU H H 9 8.900 8.900 8.903 -0.003 19731 1131 1 2 . 1 1 10 10 VAL N N 10 126.431 126.431 115.116 11.315 19731 1132 1 2 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.382 -0.038 19731 1133 1 2 . 1 1 10 10 VAL C C 10 174.353 174.353 175.079 -0.726 19731 1134 1 2 . 1 1 10 10 VAL CA C 10 58.880 58.880 58.784 0.096 19731 1135 1 2 . 1 1 10 10 VAL CB C 10 35.250 35.250 34.202 1.048 19731 1136 1 2 . 1 1 10 10 VAL H H 10 9.246 9.246 9.052 0.194 19731 1137 1 2 . 1 1 11 11 GLY N N 11 115.421 115.421 109.855 5.566 19731 1138 1 2 . 1 1 11 11 GLY C C 11 170.943 170.943 172.545 -1.602 19731 1139 1 2 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.861 1.311 19731 1140 1 2 . 1 1 11 11 GLY H H 11 8.738 8.738 8.615 0.123 19731 1141 1 2 . 1 1 12 12 LEU N N 12 119.415 119.415 123.380 -3.965 19731 1142 1 2 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.824 -0.608 19731 1143 1 2 . 1 1 12 12 LEU C C 12 176.498 176.498 174.988 1.510 19731 1144 1 2 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.024 1.725 19731 1145 1 2 . 1 1 12 12 LEU CB C 12 40.328 40.328 43.691 -3.363 19731 1146 1 2 . 1 1 12 12 LEU H H 12 7.423 7.423 8.846 -1.423 19731 1147 1 2 . 1 1 13 13 ALA N N 13 121.608 121.608 123.577 -1.969 19731 1148 1 2 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.432 -0.064 19731 1149 1 2 . 1 1 13 13 ALA C C 13 177.463 177.463 174.703 2.760 19731 1150 1 2 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.738 2.036 19731 1151 1 2 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.390 4.251 19731 1152 1 2 . 1 1 13 13 ALA H H 13 8.627 8.627 8.095 0.532 19731 1153 1 2 . 1 1 14 14 ASN N N 14 116.827 116.827 118.603 -1.776 19731 1154 1 2 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.586 -0.182 19731 1155 1 2 . 1 1 14 14 ASN C C 14 173.431 173.431 173.399 0.032 19731 1156 1 2 . 1 1 14 14 ASN CA C 14 51.052 51.052 52.653 -1.601 19731 1157 1 2 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.591 1.893 19731 1158 1 2 . 1 1 14 14 ASN H H 14 8.896 8.896 7.866 1.030 19731 1159 1 2 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.212 0.145 19731 1160 1 2 . 1 1 17 17 PRO C C 17 179.073 179.073 177.818 1.255 19731 1161 1 2 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.369 0.803 19731 1162 1 2 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.140 -0.266 19731 1163 1 2 . 1 1 18 18 GLU N N 18 118.514 118.514 117.305 1.209 19731 1164 1 2 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.043 0.011 19731 1165 1 2 . 1 1 18 18 GLU C C 18 177.807 177.807 178.515 -0.708 19731 1166 1 2 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.751 0.050 19731 1167 1 2 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.914 -0.485 19731 1168 1 2 . 1 1 18 18 GLU H H 18 9.729 9.729 8.564 1.165 19731 1169 1 2 . 1 1 19 19 TYR N N 19 115.421 115.421 116.719 -1.298 19731 1170 1 2 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.753 -1.326 19731 1171 1 2 . 1 1 19 19 TYR C C 19 177.549 177.549 177.374 0.175 19731 1172 1 2 . 1 1 19 19 TYR CA C 19 58.332 58.332 55.670 2.662 19731 1173 1 2 . 1 1 19 19 TYR CB C 19 39.701 39.701 37.798 1.903 19731 1174 1 2 . 1 1 19 19 TYR H H 19 7.268 7.268 7.286 -0.018 19731 1175 1 2 . 1 1 20 20 ALA N N 20 123.858 123.858 122.357 1.501 19731 1176 1 2 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.287 0.142 19731 1177 1 2 . 1 1 20 20 ALA C C 20 178.365 178.365 177.431 0.934 19731 1178 1 2 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.990 1.993 19731 1179 1 2 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.535 1.206 19731 1180 1 2 . 1 1 20 20 ALA H H 20 7.245 7.245 7.510 -0.265 19731 1181 1 2 . 1 1 21 21 LYS N N 21 114.577 114.577 114.627 -0.050 19731 1182 1 2 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.288 0.495 19731 1183 1 2 . 1 1 21 21 LYS C C 21 176.541 176.541 176.444 0.097 19731 1184 1 2 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.385 -1.971 19731 1185 1 2 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.712 -0.603 19731 1186 1 2 . 1 1 21 21 LYS H H 21 8.894 8.894 7.800 1.094 19731 1187 1 2 . 1 1 22 22 THR N N 22 111.202 111.202 117.237 -6.035 19731 1188 1 2 . 1 1 22 22 THR HA H 22 4.495 4.495 4.385 0.110 19731 1189 1 2 . 1 1 22 22 THR C C 22 175.277 175.277 174.781 0.496 19731 1190 1 2 . 1 1 22 22 THR CA C 22 61.306 61.306 63.317 -2.011 19731 1191 1 2 . 1 1 22 22 THR CB C 22 72.109 72.109 70.054 2.055 19731 1192 1 2 . 1 1 22 22 THR H H 22 7.927 7.927 7.599 0.328 19731 1193 1 2 . 1 1 23 23 ARG N N 23 119.639 119.639 123.832 -4.193 19731 1194 1 2 . 1 1 23 23 ARG HA H 23 4.508 4.508 3.940 0.568 19731 1195 1 2 . 1 1 23 23 ARG C C 23 177.142 177.142 178.041 -0.899 19731 1196 1 2 . 1 1 23 23 ARG CA C 23 60.993 60.993 59.406 1.587 19731 1197 1 2 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.254 1.620 19731 1198 1 2 . 1 1 23 23 ARG H H 23 8.245 8.245 8.251 -0.006 19731 1199 1 2 . 1 1 24 24 HIS N N 24 115.140 115.140 116.049 -0.909 19731 1200 1 2 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.968 -1.040 19731 1201 1 2 . 1 1 24 24 HIS C C 24 173.109 173.109 174.764 -1.655 19731 1202 1 2 . 1 1 24 24 HIS CA C 24 53.870 53.870 56.061 -2.191 19731 1203 1 2 . 1 1 24 24 HIS CB C 24 29.003 29.003 27.605 1.398 19731 1204 1 2 . 1 1 24 24 HIS H H 24 8.245 8.245 8.268 -0.024 19731 1205 1 2 . 1 1 25 25 ASN N N 25 115.140 115.140 118.003 -2.863 19731 1206 1 2 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.723 0.038 19731 1207 1 2 . 1 1 25 25 ASN C C 25 175.234 175.234 175.712 -0.478 19731 1208 1 2 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.633 -0.485 19731 1209 1 2 . 1 1 25 25 ASN CB C 25 38.214 38.214 39.048 -0.834 19731 1210 1 2 . 1 1 25 25 ASN H H 25 7.661 7.661 8.156 -0.495 19731 1211 1 2 . 1 1 26 26 ALA N N 26 120.764 120.764 123.854 -3.090 19731 1212 1 2 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.981 0.776 19731 1213 1 2 . 1 1 26 26 ALA C C 26 178.428 178.428 179.154 -0.726 19731 1214 1 2 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.533 -1.037 19731 1215 1 2 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.104 0.306 19731 1216 1 2 . 1 1 26 26 ALA H H 26 7.148 7.148 7.509 -0.361 19731 1217 1 2 . 1 1 27 27 GLY N N 27 100.254 100.254 105.311 -5.057 19731 1218 1 2 . 1 1 27 27 GLY C C 27 176.520 176.520 175.731 0.789 19731 1219 1 2 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.782 0.199 19731 1220 1 2 . 1 1 27 27 GLY H H 27 8.957 8.957 7.976 0.981 19731 1221 1 2 . 1 1 28 28 ALA N N 28 123.296 123.296 124.373 -1.077 19731 1222 1 2 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.306 -0.116 19731 1223 1 2 . 1 1 28 28 ALA C C 28 179.373 179.373 179.133 0.240 19731 1224 1 2 . 1 1 28 28 ALA CA C 28 55.592 55.592 54.174 1.418 19731 1225 1 2 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.147 0.185 19731 1226 1 2 . 1 1 28 28 ALA H H 28 7.090 7.090 7.529 -0.439 19731 1227 1 2 . 1 1 29 29 TRP N N 29 117.952 117.952 120.936 -2.984 19731 1228 1 2 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.290 0.427 19731 1229 1 2 . 1 1 29 29 TRP C C 29 179.973 179.973 178.324 1.649 19731 1230 1 2 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.739 -2.877 19731 1231 1 2 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.226 -1.170 19731 1232 1 2 . 1 1 29 29 TRP H H 29 7.649 7.649 8.655 -1.006 19731 1233 1 2 . 1 1 30 30 VAL N N 30 116.082 116.082 113.878 2.204 19731 1234 1 2 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.872 -0.316 19731 1235 1 2 . 1 1 30 30 VAL C C 30 176.542 176.542 177.470 -0.928 19731 1236 1 2 . 1 1 30 30 VAL CA C 30 66.160 66.160 64.763 1.398 19731 1237 1 2 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.124 0.906 19731 1238 1 2 . 1 1 30 30 VAL H H 30 7.263 7.263 7.494 -0.231 19731 1239 1 2 . 1 1 31 31 VAL N N 31 118.514 118.514 122.062 -3.548 19731 1240 1 2 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.722 -0.462 19731 1241 1 2 . 1 1 31 31 VAL C C 31 177.142 177.142 177.920 -0.778 19731 1242 1 2 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.425 1.222 19731 1243 1 2 . 1 1 31 31 VAL CB C 31 31.639 31.639 30.858 0.781 19731 1244 1 2 . 1 1 31 31 VAL H H 31 6.912 6.912 7.236 -0.324 19731 1245 1 2 . 1 1 32 32 GLU N N 32 117.882 117.882 119.375 -1.493 19731 1246 1 2 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.967 -0.176 19731 1247 1 2 . 1 1 32 32 GLU C C 32 179.715 179.715 178.720 0.995 19731 1248 1 2 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.400 0.654 19731 1249 1 2 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.377 0.696 19731 1250 1 2 . 1 1 32 32 GLU H H 32 9.069 9.069 8.326 0.743 19731 1251 1 2 . 1 1 33 33 GLU N N 33 120.202 120.202 120.210 -0.008 19731 1252 1 2 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.984 0.520 19731 1253 1 2 . 1 1 33 33 GLU C C 33 177.807 177.807 178.818 -1.011 19731 1254 1 2 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.786 -0.298 19731 1255 1 2 . 1 1 33 33 GLU CB C 33 28.977 28.977 28.871 0.106 19731 1256 1 2 . 1 1 33 33 GLU H H 33 7.967 7.967 7.466 0.501 19731 1257 1 2 . 1 1 34 34 LEU N N 34 121.046 121.046 119.396 1.650 19731 1258 1 2 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.976 0.047 19731 1259 1 2 . 1 1 34 34 LEU C C 34 178.429 178.429 178.725 -0.296 19731 1260 1 2 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.666 0.756 19731 1261 1 2 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.387 1.054 19731 1262 1 2 . 1 1 34 34 LEU H H 34 8.297 8.297 7.315 0.982 19731 1263 1 2 . 1 1 35 35 ALA N N 35 118.233 118.233 120.309 -2.076 19731 1264 1 2 . 1 1 35 35 ALA HA H 35 3.867 3.867 4.018 -0.151 19731 1265 1 2 . 1 1 35 35 ALA C C 35 178.729 178.729 179.472 -0.743 19731 1266 1 2 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.066 0.604 19731 1267 1 2 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.270 -1.113 19731 1268 1 2 . 1 1 35 35 ALA H H 35 8.450 8.450 7.622 0.828 19731 1269 1 2 . 1 1 36 36 ARG N N 36 118.796 118.796 117.851 0.945 19731 1270 1 2 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.139 -0.099 19731 1271 1 2 . 1 1 36 36 ARG C C 36 181.217 181.217 177.943 3.274 19731 1272 1 2 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.439 1.380 19731 1273 1 2 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.559 -0.016 19731 1274 1 2 . 1 1 36 36 ARG H H 36 8.063 8.063 7.295 0.768 19731 1275 1 2 . 1 1 37 37 ILE N N 37 119.077 119.077 119.206 -0.129 19731 1276 1 2 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.846 -0.095 19731 1277 1 2 . 1 1 37 37 ILE C C 37 177.443 177.443 177.777 -0.334 19731 1278 1 2 . 1 1 37 37 ILE CA C 37 64.359 64.359 64.178 0.181 19731 1279 1 2 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.633 0.581 19731 1280 1 2 . 1 1 37 37 ILE H H 37 8.420 8.420 8.303 0.117 19731 1281 1 2 . 1 1 38 38 HIS N N 38 116.546 116.546 116.863 -0.317 19731 1282 1 2 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.487 -0.088 19731 1283 1 2 . 1 1 38 38 HIS C C 38 173.452 173.452 174.689 -1.237 19731 1284 1 2 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.980 0.256 19731 1285 1 2 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.779 -1.080 19731 1286 1 2 . 1 1 38 38 HIS H H 38 7.635 7.635 7.875 -0.240 19731 1287 1 2 . 1 1 39 39 ASN N N 39 117.108 117.108 118.000 -0.892 19731 1288 1 2 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.512 -0.160 19731 1289 1 2 . 1 1 39 39 ASN C C 39 174.310 174.310 173.963 0.347 19731 1290 1 2 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.942 0.711 19731 1291 1 2 . 1 1 39 39 ASN CB C 39 37.353 37.353 36.948 0.405 19731 1292 1 2 . 1 1 39 39 ASN H H 39 7.942 7.942 7.713 0.229 19731 1293 1 2 . 1 1 40 40 VAL N N 40 119.921 119.921 118.650 1.271 19731 1294 1 2 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.451 -0.235 19731 1295 1 2 . 1 1 40 40 VAL C C 40 175.361 175.361 175.528 -0.167 19731 1296 1 2 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.370 1.406 19731 1297 1 2 . 1 1 40 40 VAL CB C 40 34.222 34.222 34.253 -0.031 19731 1298 1 2 . 1 1 40 40 VAL H H 40 8.578 8.578 7.787 0.791 19731 1299 1 2 . 1 1 41 41 THR N N 41 123.878 123.878 122.937 0.941 19731 1300 1 2 . 1 1 41 41 THR HA H 41 4.231 4.231 4.318 -0.087 19731 1301 1 2 . 1 1 41 41 THR C C 41 174.033 174.033 173.874 0.159 19731 1302 1 2 . 1 1 41 41 THR CA C 41 61.776 61.776 62.355 -0.579 19731 1303 1 2 . 1 1 41 41 THR CB C 41 69.525 69.525 68.549 0.976 19731 1304 1 2 . 1 1 41 41 THR H H 41 8.617 8.617 8.439 0.178 19731 1305 1 2 . 1 1 42 42 LEU N N 42 128.639 128.639 129.403 -0.764 19731 1306 1 2 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.413 -0.076 19731 1307 1 2 . 1 1 42 42 LEU C C 42 175.919 175.919 176.644 -0.725 19731 1308 1 2 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.641 0.168 19731 1309 1 2 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.877 1.016 19731 1310 1 2 . 1 1 42 42 LEU H H 42 8.783 8.783 8.556 0.227 19731 1311 1 2 . 1 1 43 43 LYS N N 43 122.452 122.452 125.567 -3.115 19731 1312 1 2 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.489 0.100 19731 1313 1 2 . 1 1 43 43 LYS C C 43 175.619 175.619 175.788 -0.169 19731 1314 1 2 . 1 1 43 43 LYS CA C 43 54.496 54.496 55.024 -0.528 19731 1315 1 2 . 1 1 43 43 LYS CB C 43 35.944 35.944 32.976 2.968 19731 1316 1 2 . 1 1 43 43 LYS H H 43 8.738 8.738 9.046 -0.308 19731 1317 1 2 . 1 1 44 44 ASN N N 44 123.014 123.014 124.294 -1.280 19731 1318 1 2 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.508 0.072 19731 1319 1 2 . 1 1 44 44 ASN C C 44 174.718 174.718 174.840 -0.122 19731 1320 1 2 . 1 1 44 44 ASN CA C 44 54.484 54.484 53.598 0.886 19731 1321 1 2 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.625 0.215 19731 1322 1 2 . 1 1 44 44 ASN H H 44 8.906 8.906 8.869 0.037 19731 1323 1 2 . 1 1 45 45 GLU N N 45 128.921 128.921 124.621 4.300 19731 1324 1 2 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.837 -0.463 19731 1325 1 2 . 1 1 45 45 GLU C C 45 173.731 173.731 175.041 -1.310 19731 1326 1 2 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.749 0.495 19731 1327 1 2 . 1 1 45 45 GLU CB C 45 31.639 31.639 31.499 0.140 19731 1328 1 2 . 1 1 45 45 GLU H H 45 8.675 8.675 8.678 -0.003 19731 1329 1 2 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.574 -0.586 19731 1330 1 2 . 1 1 46 46 PRO C C 46 175.298 175.298 176.704 -1.406 19731 1331 1 2 . 1 1 46 46 PRO CA C 46 64.985 64.985 63.622 1.363 19731 1332 1 2 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.958 0.072 19731 1333 1 2 . 1 1 47 47 LYS N N 47 115.793 115.793 117.582 -1.789 19731 1334 1 2 . 1 1 47 47 LYS HA H 47 3.518 3.518 4.218 -0.700 19731 1335 1 2 . 1 1 47 47 LYS C C 47 174.998 174.998 177.952 -2.954 19731 1336 1 2 . 1 1 47 47 LYS CA C 47 57.862 57.862 57.773 0.089 19731 1337 1 2 . 1 1 47 47 LYS CB C 47 31.561 31.561 33.307 -1.746 19731 1338 1 2 . 1 1 47 47 LYS H H 47 8.239 8.239 8.083 0.156 19731 1339 1 2 . 1 1 48 48 PHE N N 48 114.577 114.577 116.013 -1.436 19731 1340 1 2 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.646 0.244 19731 1341 1 2 . 1 1 48 48 PHE C C 48 172.810 172.810 175.894 -3.084 19731 1342 1 2 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.776 -2.905 19731 1343 1 2 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.348 0.353 19731 1344 1 2 . 1 1 48 48 PHE H H 48 7.398 7.398 7.857 -0.459 19731 1345 1 2 . 1 1 49 49 PHE N N 49 110.358 110.358 118.362 -8.004 19731 1346 1 2 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.166 -0.314 19731 1347 1 2 . 1 1 49 49 PHE C C 49 175.298 175.298 173.725 1.573 19731 1348 1 2 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.798 -0.779 19731 1349 1 2 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.799 -1.368 19731 1350 1 2 . 1 1 49 49 PHE H H 49 6.923 6.923 8.149 -1.226 19731 1351 1 2 . 1 1 50 50 GLY N N 50 136.915 136.915 104.363 32.552 19731 1352 1 2 . 1 1 50 50 GLY C C 50 170.643 170.643 171.841 -1.198 19731 1353 1 2 . 1 1 50 50 GLY CA C 50 47.138 47.138 43.818 3.320 19731 1354 1 2 . 1 1 50 50 GLY H H 50 6.836 6.836 7.614 -0.778 19731 1355 1 2 . 1 1 51 51 LEU N N 51 119.282 119.282 122.564 -3.282 19731 1356 1 2 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.808 0.029 19731 1357 1 2 . 1 1 51 51 LEU C C 51 177.164 177.164 175.999 1.165 19731 1358 1 2 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.040 -0.953 19731 1359 1 2 . 1 1 51 51 LEU CB C 51 44.163 44.163 43.554 0.608 19731 1360 1 2 . 1 1 51 51 LEU H H 51 8.692 8.692 8.831 -0.138 19731 1361 1 2 . 1 1 52 52 THR N N 52 112.608 112.608 117.893 -5.285 19731 1362 1 2 . 1 1 52 52 THR HA H 52 5.529 5.529 5.659 -0.130 19731 1363 1 2 . 1 1 52 52 THR C C 52 173.732 173.732 174.121 -0.389 19731 1364 1 2 . 1 1 52 52 THR CA C 52 59.036 59.036 59.451 -0.415 19731 1365 1 2 . 1 1 52 52 THR CB C 52 72.578 72.578 71.594 0.984 19731 1366 1 2 . 1 1 52 52 THR H H 52 9.230 9.230 9.154 0.076 19731 1367 1 2 . 1 1 53 53 GLY N N 53 105.858 105.858 108.711 -2.853 19731 1368 1 2 . 1 1 53 53 GLY C C 53 171.545 171.545 171.460 0.085 19731 1369 1 2 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.634 0.390 19731 1370 1 2 . 1 1 53 53 GLY H H 53 7.881 7.881 8.816 -0.935 19731 1371 1 2 . 1 1 54 54 ARG N N 54 122.128 122.128 123.541 -1.413 19731 1372 1 2 . 1 1 54 54 ARG HA H 54 4.861 4.861 5.006 -0.145 19731 1373 1 2 . 1 1 54 54 ARG C C 54 172.767 172.767 174.484 -1.717 19731 1374 1 2 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.382 0.367 19731 1375 1 2 . 1 1 54 54 ARG CB C 54 32.813 32.813 32.271 0.542 19731 1376 1 2 . 1 1 54 54 ARG H H 54 8.627 8.627 8.568 0.059 19731 1377 1 2 . 1 1 55 55 LEU N N 55 125.264 125.264 123.660 1.604 19731 1378 1 2 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.448 0.136 19731 1379 1 2 . 1 1 55 55 LEU C C 55 174.011 174.011 175.082 -1.071 19731 1380 1 2 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.025 1.080 19731 1381 1 2 . 1 1 55 55 LEU CB C 55 44.242 44.242 44.300 -0.057 19731 1382 1 2 . 1 1 55 55 LEU H H 55 8.968 8.968 9.117 -0.149 19731 1383 1 2 . 1 1 56 56 LEU N N 56 123.577 123.577 127.199 -3.622 19731 1384 1 2 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.495 0.525 19731 1385 1 2 . 1 1 56 56 LEU C C 56 176.263 176.263 176.225 0.038 19731 1386 1 2 . 1 1 56 56 LEU CA C 56 53.688 53.688 55.188 -1.500 19731 1387 1 2 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.155 1.539 19731 1388 1 2 . 1 1 56 56 LEU H H 56 8.405 8.405 8.515 -0.110 19731 1389 1 2 . 1 1 57 57 ILE N N 57 123.748 123.748 126.083 -2.335 19731 1390 1 2 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.360 -0.150 19731 1391 1 2 . 1 1 57 57 ILE C C 57 175.655 175.655 175.730 -0.075 19731 1392 1 2 . 1 1 57 57 ILE CA C 57 60.132 60.132 60.476 -0.344 19731 1393 1 2 . 1 1 57 57 ILE CB C 57 40.484 40.484 39.529 0.955 19731 1394 1 2 . 1 1 57 57 ILE H H 57 8.617 8.617 8.931 -0.314 19731 1395 1 2 . 1 1 58 58 ASN N N 58 127.486 127.486 125.819 1.667 19731 1396 1 2 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.364 -0.042 19731 1397 1 2 . 1 1 58 58 ASN C C 58 174.976 174.976 175.020 -0.044 19731 1398 1 2 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.668 -0.902 19731 1399 1 2 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.899 -0.154 19731 1400 1 2 . 1 1 58 58 ASN H H 58 9.489 9.489 9.169 0.320 19731 1401 1 2 . 1 1 59 59 SER N N 59 106.702 106.702 113.802 -7.100 19731 1402 1 2 . 1 1 59 59 SER HA H 59 3.833 3.833 4.538 -0.705 19731 1403 1 2 . 1 1 59 59 SER C C 59 172.510 172.510 172.874 -0.364 19731 1404 1 2 . 1 1 59 59 SER CA C 59 60.445 60.445 58.854 1.591 19731 1405 1 2 . 1 1 59 59 SER CB C 59 62.246 62.246 64.718 -2.472 19731 1406 1 2 . 1 1 59 59 SER H H 59 8.664 8.664 8.358 0.306 19731 1407 1 2 . 1 1 60 60 GLN N N 60 120.764 120.764 121.402 -0.638 19731 1408 1 2 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.592 -0.102 19731 1409 1 2 . 1 1 60 60 GLN C C 60 174.310 174.310 173.860 0.450 19731 1410 1 2 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.123 0.060 19731 1411 1 2 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.221 -1.052 19731 1412 1 2 . 1 1 60 60 GLN H H 60 7.925 7.925 7.780 0.145 19731 1413 1 2 . 1 1 61 61 GLU N N 61 122.452 122.452 125.475 -3.023 19731 1414 1 2 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.261 0.365 19731 1415 1 2 . 1 1 61 61 GLU C C 61 174.932 174.932 175.134 -0.202 19731 1416 1 2 . 1 1 61 61 GLU CA C 61 55.827 55.827 56.488 -0.661 19731 1417 1 2 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.221 2.418 19731 1418 1 2 . 1 1 61 61 GLU H H 61 8.613 8.613 8.729 -0.116 19731 1419 1 2 . 1 1 62 62 LEU N N 62 129.483 129.483 127.918 1.565 19731 1420 1 2 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.529 -0.046 19731 1421 1 2 . 1 1 62 62 LEU C C 62 175.276 175.276 175.400 -0.124 19731 1422 1 2 . 1 1 62 62 LEU CA C 62 53.713 53.713 54.116 -0.403 19731 1423 1 2 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.934 1.482 19731 1424 1 2 . 1 1 62 62 LEU H H 62 9.131 9.131 8.800 0.331 19731 1425 1 2 . 1 1 63 63 ARG N N 63 125.546 125.546 126.045 -0.499 19731 1426 1 2 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.438 -0.554 19731 1427 1 2 . 1 1 63 63 ARG C C 63 174.998 174.998 174.571 0.427 19731 1428 1 2 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.501 1.482 19731 1429 1 2 . 1 1 63 63 ARG CB C 63 31.013 31.013 33.325 -2.312 19731 1430 1 2 . 1 1 63 63 ARG H H 63 7.802 7.802 8.504 -0.702 19731 1431 1 2 . 1 1 64 64 VAL N N 64 112.608 112.608 120.918 -8.310 19731 1432 1 2 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.481 0.359 19731 1433 1 2 . 1 1 64 64 VAL C C 64 174.353 174.353 173.480 0.873 19731 1434 1 2 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.206 -1.422 19731 1435 1 2 . 1 1 64 64 VAL CB C 64 34.927 34.927 36.307 -1.380 19731 1436 1 2 . 1 1 64 64 VAL H H 64 8.199 8.199 8.798 -0.599 19731 1437 1 2 . 1 1 65 65 LEU N N 65 122.279 122.279 129.314 -7.035 19731 1438 1 2 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.639 -0.113 19731 1439 1 2 . 1 1 65 65 LEU C C 65 174.353 174.353 174.361 -0.008 19731 1440 1 2 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.617 -0.060 19731 1441 1 2 . 1 1 65 65 LEU CB C 65 47.686 47.686 45.934 1.752 19731 1442 1 2 . 1 1 65 65 LEU H H 65 8.163 8.163 8.651 -0.488 19731 1443 1 2 . 1 1 66 66 ILE N N 66 126.952 126.952 126.220 0.732 19731 1444 1 2 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.217 -0.095 19731 1445 1 2 . 1 1 66 66 ILE C C 66 173.817 173.817 173.512 0.305 19731 1446 1 2 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.913 1.654 19731 1447 1 2 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.985 -0.170 19731 1448 1 2 . 1 1 66 66 ILE H H 66 9.131 9.131 8.860 0.271 19731 1449 1 2 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.693 -0.185 19731 1450 1 2 . 1 1 67 67 PRO C C 67 177.786 177.786 176.708 1.078 19731 1451 1 2 . 1 1 67 67 PRO CA C 67 63.203 63.203 63.002 0.201 19731 1452 1 2 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.342 0.767 19731 1453 1 2 . 1 1 68 68 THR N N 68 115.421 115.421 113.257 2.164 19731 1454 1 2 . 1 1 68 68 THR HA H 68 4.370 4.370 4.210 0.160 19731 1455 1 2 . 1 1 68 68 THR C C 68 174.054 174.054 174.993 -0.939 19731 1456 1 2 . 1 1 68 68 THR CA C 68 60.445 60.445 63.114 -2.669 19731 1457 1 2 . 1 1 68 68 THR CB C 68 67.177 67.177 68.811 -1.634 19731 1458 1 2 . 1 1 68 68 THR H H 68 9.645 9.645 8.390 1.255 19731 1459 1 2 . 1 1 69 69 THR N N 69 110.954 110.954 118.743 -7.789 19731 1460 1 2 . 1 1 69 69 THR HA H 69 4.065 4.065 4.708 -0.643 19731 1461 1 2 . 1 1 69 69 THR C C 69 177.184 177.184 173.319 3.865 19731 1462 1 2 . 1 1 69 69 THR CA C 69 62.011 62.011 60.977 1.034 19731 1463 1 2 . 1 1 69 69 THR CB C 69 71.013 71.013 70.939 0.074 19731 1464 1 2 . 1 1 69 69 THR H H 69 7.063 7.063 7.822 -0.759 19731 1465 1 2 . 1 1 70 70 PHE N N 70 111.483 111.483 123.353 -11.870 19731 1466 1 2 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.582 -0.326 19731 1467 1 2 . 1 1 70 70 PHE C C 70 179.029 179.029 175.107 3.922 19731 1468 1 2 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.266 4.293 19731 1469 1 2 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.478 -0.107 19731 1470 1 2 . 1 1 70 70 PHE H H 70 8.033 8.033 9.049 -1.016 19731 1471 1 2 . 1 1 71 71 MET N N 71 121.809 121.809 119.439 2.370 19731 1472 1 2 . 1 1 71 71 MET HA H 71 4.055 4.055 4.113 -0.058 19731 1473 1 2 . 1 1 71 71 MET C C 71 179.372 179.372 177.617 1.755 19731 1474 1 2 . 1 1 71 71 MET CA C 71 58.488 58.488 57.185 1.303 19731 1475 1 2 . 1 1 71 71 MET CB C 71 31.036 31.036 32.568 -1.532 19731 1476 1 2 . 1 1 71 71 MET H H 71 8.671 8.671 7.889 0.782 19731 1477 1 2 . 1 1 72 72 ASN N N 72 115.648 115.648 116.931 -1.283 19731 1478 1 2 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.601 -0.444 19731 1479 1 2 . 1 1 72 72 ASN C C 72 173.454 173.454 176.502 -3.048 19731 1480 1 2 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.135 -0.326 19731 1481 1 2 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.881 -2.076 19731 1482 1 2 . 1 1 72 72 ASN H H 72 8.817 8.817 8.245 0.572 19731 1483 1 2 . 1 1 73 73 LEU N N 73 119.077 119.077 120.523 -1.446 19731 1484 1 2 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.461 0.512 19731 1485 1 2 . 1 1 73 73 LEU C C 73 177.485 177.485 177.561 -0.076 19731 1486 1 2 . 1 1 73 73 LEU CA C 73 53.870 53.870 54.938 -1.068 19731 1487 1 2 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.408 2.129 19731 1488 1 2 . 1 1 73 73 LEU H H 73 7.362 7.362 8.264 -0.902 19731 1489 1 2 . 1 1 74 74 SER N N 74 114.067 114.067 116.123 -2.056 19731 1490 1 2 . 1 1 74 74 SER HA H 74 4.084 4.084 4.516 -0.432 19731 1491 1 2 . 1 1 74 74 SER C C 74 175.640 175.640 176.796 -1.156 19731 1492 1 2 . 1 1 74 74 SER CA C 74 63.498 63.498 61.118 2.380 19731 1493 1 2 . 1 1 74 74 SER CB C 74 66.081 66.081 63.301 2.780 19731 1494 1 2 . 1 1 74 74 SER H H 74 7.499 7.499 7.854 -0.355 19731 1495 1 2 . 1 1 75 75 GLY N N 75 107.827 107.827 109.628 -1.801 19731 1496 1 2 . 1 1 75 75 GLY C C 75 174.954 174.954 176.049 -1.095 19731 1497 1 2 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.715 1.284 19731 1498 1 2 . 1 1 75 75 GLY H H 75 10.017 10.017 8.763 1.254 19731 1499 1 2 . 1 1 76 76 LYS N N 76 120.250 120.250 121.537 -1.287 19731 1500 1 2 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.960 0.013 19731 1501 1 2 . 1 1 76 76 LYS C C 76 179.051 179.051 178.521 0.530 19731 1502 1 2 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.502 -0.231 19731 1503 1 2 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.192 0.621 19731 1504 1 2 . 1 1 76 76 LYS H H 76 7.975 7.975 7.982 -0.007 19731 1505 1 2 . 1 1 77 77 ALA N N 77 121.046 121.046 122.484 -1.438 19731 1506 1 2 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.378 0.060 19731 1507 1 2 . 1 1 77 77 ALA C C 77 177.463 177.463 179.916 -2.453 19731 1508 1 2 . 1 1 77 77 ALA CA C 77 54.966 54.966 54.897 0.069 19731 1509 1 2 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.574 2.184 19731 1510 1 2 . 1 1 77 77 ALA H H 77 6.824 6.824 7.365 -0.541 19731 1511 1 2 . 1 1 78 78 ILE N N 78 115.422 115.422 118.422 -3.000 19731 1512 1 2 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.681 -0.559 19731 1513 1 2 . 1 1 78 78 ILE C C 78 177.163 177.163 177.685 -0.522 19731 1514 1 2 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.791 1.055 19731 1515 1 2 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.541 1.613 19731 1516 1 2 . 1 1 78 78 ILE H H 78 7.124 7.124 7.751 -0.627 19731 1517 1 2 . 1 1 79 79 ALA N N 79 117.952 117.952 122.631 -4.679 19731 1518 1 2 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.957 -0.021 19731 1519 1 2 . 1 1 79 79 ALA C C 79 179.329 179.329 179.505 -0.176 19731 1520 1 2 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.326 -0.282 19731 1521 1 2 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.867 0.543 19731 1522 1 2 . 1 1 79 79 ALA H H 79 8.644 8.644 8.189 0.455 19731 1523 1 2 . 1 1 80 80 ALA N N 80 118.796 118.796 120.957 -2.161 19731 1524 1 2 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.155 0.152 19731 1525 1 2 . 1 1 80 80 ALA C C 80 180.616 180.616 179.209 1.407 19731 1526 1 2 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.709 0.883 19731 1527 1 2 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.686 0.037 19731 1528 1 2 . 1 1 80 80 ALA H H 80 7.442 7.442 7.538 -0.096 19731 1529 1 2 . 1 1 81 81 LEU N N 81 119.878 119.878 120.577 -0.699 19731 1530 1 2 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.946 -0.342 19731 1531 1 2 . 1 1 81 81 LEU C C 81 178.750 178.750 178.439 0.311 19731 1532 1 2 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.797 1.474 19731 1533 1 2 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.593 1.005 19731 1534 1 2 . 1 1 81 81 LEU H H 81 7.953 7.953 7.600 0.353 19731 1535 1 2 . 1 1 82 82 ALA N N 82 120.764 120.764 119.372 1.392 19731 1536 1 2 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.857 0.026 19731 1537 1 2 . 1 1 82 82 ALA C C 82 180.273 180.273 179.491 0.782 19731 1538 1 2 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.749 1.391 19731 1539 1 2 . 1 1 82 82 ALA CB C 82 17.236 17.236 17.996 -0.760 19731 1540 1 2 . 1 1 82 82 ALA H H 82 8.906 8.906 8.223 0.683 19731 1541 1 2 . 1 1 83 83 ASN N N 83 113.733 113.733 118.098 -4.365 19731 1542 1 2 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.497 0.029 19731 1543 1 2 . 1 1 83 83 ASN C C 83 178.085 178.085 177.488 0.597 19731 1544 1 2 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.064 -0.237 19731 1545 1 2 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.835 -0.464 19731 1546 1 2 . 1 1 83 83 ASN H H 83 8.644 8.644 7.586 1.058 19731 1547 1 2 . 1 1 84 84 PHE N N 84 121.327 121.327 117.172 4.155 19731 1548 1 2 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.408 -0.347 19731 1549 1 2 . 1 1 84 84 PHE C C 84 177.164 177.164 177.091 0.073 19731 1550 1 2 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.060 2.029 19731 1551 1 2 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.831 1.575 19731 1552 1 2 . 1 1 84 84 PHE H H 84 7.621 7.621 8.083 -0.462 19731 1553 1 2 . 1 1 85 85 TYR N N 85 112.890 112.890 118.442 -5.552 19731 1554 1 2 . 1 1 85 85 TYR HA H 85 4.507 4.507 3.963 0.544 19731 1555 1 2 . 1 1 85 85 TYR C C 85 173.732 173.732 175.289 -1.557 19731 1556 1 2 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.019 0.174 19731 1557 1 2 . 1 1 85 85 TYR CB C 85 38.919 38.919 38.194 0.725 19731 1558 1 2 . 1 1 85 85 TYR H H 85 7.578 7.578 6.891 0.687 19731 1559 1 2 . 1 1 86 86 GLN N N 86 117.671 117.671 114.109 3.562 19731 1560 1 2 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.929 0.014 19731 1561 1 2 . 1 1 86 86 GLN C C 86 174.675 174.675 174.688 -0.013 19731 1562 1 2 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.570 0.666 19731 1563 1 2 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.274 -0.428 19731 1564 1 2 . 1 1 86 86 GLN H H 86 7.691 7.691 7.570 0.121 19731 1565 1 2 . 1 1 87 87 ILE N N 87 122.171 122.171 117.634 4.537 19731 1566 1 2 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.009 -0.012 19731 1567 1 2 . 1 1 87 87 ILE C C 87 175.597 175.597 176.256 -0.659 19731 1568 1 2 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.152 2.467 19731 1569 1 2 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.282 3.201 19731 1570 1 2 . 1 1 87 87 ILE H H 87 8.786 8.786 7.198 1.588 19731 1571 1 2 . 1 1 88 88 LYS N N 88 128.639 128.639 127.602 1.037 19731 1572 1 2 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.550 -0.629 19731 1573 1 2 . 1 1 88 88 LYS CA C 88 54.887 54.887 54.229 0.658 19731 1574 1 2 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.579 0.059 19731 1575 1 2 . 1 1 88 88 LYS H H 88 8.957 8.957 8.797 0.160 19731 1576 1 2 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.178 -0.158 19731 1577 1 2 . 1 1 89 89 PRO C C 89 176.542 176.542 177.913 -1.371 19731 1578 1 2 . 1 1 89 89 PRO CA C 89 66.297 66.297 66.112 0.185 19731 1579 1 2 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.630 0.073 19731 1580 1 2 . 1 1 90 90 GLU N N 90 111.202 111.202 116.049 -4.847 19731 1581 1 2 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.569 -0.261 19731 1582 1 2 . 1 1 90 90 GLU C C 90 176.241 176.241 176.696 -0.455 19731 1583 1 2 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.192 0.844 19731 1584 1 2 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.103 0.405 19731 1585 1 2 . 1 1 90 90 GLU H H 90 9.328 9.328 8.907 0.421 19731 1586 1 2 . 1 1 91 91 GLU N N 91 116.265 116.265 117.329 -1.064 19731 1587 1 2 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.490 0.442 19731 1588 1 2 . 1 1 91 91 GLU C C 91 175.254 175.254 175.071 0.183 19731 1589 1 2 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.721 -1.068 19731 1590 1 2 . 1 1 91 91 GLU CB C 91 30.856 30.856 31.204 -0.348 19731 1591 1 2 . 1 1 91 91 GLU H H 91 8.101 8.101 8.117 -0.016 19731 1592 1 2 . 1 1 92 92 ILE N N 92 122.683 122.683 121.036 1.647 19731 1593 1 2 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.460 -0.226 19731 1594 1 2 . 1 1 92 92 ILE C C 92 173.710 173.710 174.568 -0.858 19731 1595 1 2 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.037 1.800 19731 1596 1 2 . 1 1 92 92 ILE CB C 92 40.171 40.171 38.773 1.398 19731 1597 1 2 . 1 1 92 92 ILE H H 92 8.042 8.042 7.637 0.405 19731 1598 1 2 . 1 1 93 93 MET N N 93 125.264 125.264 127.114 -1.850 19731 1599 1 2 . 1 1 93 93 MET HA H 93 5.215 5.215 5.473 -0.258 19731 1600 1 2 . 1 1 93 93 MET C C 93 173.454 173.454 174.154 -0.700 19731 1601 1 2 . 1 1 93 93 MET CA C 93 53.322 53.322 52.771 0.551 19731 1602 1 2 . 1 1 93 93 MET CB C 93 36.570 36.570 36.518 0.052 19731 1603 1 2 . 1 1 93 93 MET H H 93 9.187 9.187 8.187 1.000 19731 1604 1 2 . 1 1 94 94 VAL N N 94 128.639 128.639 126.429 2.210 19731 1605 1 2 . 1 1 94 94 VAL HA H 94 4.598 4.598 4.725 -0.127 19731 1606 1 2 . 1 1 94 94 VAL C C 94 174.675 174.675 174.612 0.063 19731 1607 1 2 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.995 0.311 19731 1608 1 2 . 1 1 94 94 VAL CB C 94 33.518 33.518 32.685 0.833 19731 1609 1 2 . 1 1 94 94 VAL H H 94 9.406 9.406 8.524 0.882 19731 1610 1 2 . 1 1 95 95 ALA N N 95 132.577 132.577 131.276 1.301 19731 1611 1 2 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.264 0.471 19731 1612 1 2 . 1 1 95 95 ALA C C 95 175.640 175.640 175.915 -0.275 19731 1613 1 2 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.399 -0.208 19731 1614 1 2 . 1 1 95 95 ALA CB C 95 20.210 20.210 20.246 -0.036 19731 1615 1 2 . 1 1 95 95 ALA H H 95 10.008 10.008 9.151 0.857 19731 1616 1 2 . 1 1 96 96 HIS N N 96 119.077 119.077 121.751 -2.674 19731 1617 1 2 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.391 -0.044 19731 1618 1 2 . 1 1 96 96 HIS C C 96 171.543 171.543 173.932 -2.389 19731 1619 1 2 . 1 1 96 96 HIS CA C 96 53.870 53.870 53.709 0.161 19731 1620 1 2 . 1 1 96 96 HIS CB C 96 32.578 32.578 33.374 -0.796 19731 1621 1 2 . 1 1 96 96 HIS H H 96 8.972 8.972 8.208 0.764 19731 1622 1 2 . 1 1 97 97 ASP N N 97 115.983 115.983 121.180 -5.197 19731 1623 1 2 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.290 0.405 19731 1624 1 2 . 1 1 97 97 ASP C C 97 178.064 178.064 174.916 3.148 19731 1625 1 2 . 1 1 97 97 ASP CA C 97 53.635 53.635 55.487 -1.852 19731 1626 1 2 . 1 1 97 97 ASP CB C 97 40.249 40.249 41.103 -0.854 19731 1627 1 2 . 1 1 97 97 ASP H H 97 10.517 10.517 8.148 2.369 19731 1628 1 2 . 1 1 98 98 GLU N N 98 127.233 127.233 126.581 0.652 19731 1629 1 2 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.547 0.608 19731 1630 1 2 . 1 1 98 98 GLU C C 98 174.932 174.932 175.825 -0.893 19731 1631 1 2 . 1 1 98 98 GLU CA C 98 53.635 53.635 54.764 -1.129 19731 1632 1 2 . 1 1 98 98 GLU CB C 98 33.439 33.439 32.485 0.954 19731 1633 1 2 . 1 1 98 98 GLU H H 98 9.194 9.194 7.800 1.394 19731 1634 1 2 . 1 1 99 99 LEU N N 99 132.858 132.858 123.801 9.057 19731 1635 1 2 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.485 0.141 19731 1636 1 2 . 1 1 99 99 LEU C C 99 178.128 178.128 177.416 0.712 19731 1637 1 2 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.316 1.685 19731 1638 1 2 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.286 3.269 19731 1639 1 2 . 1 1 99 99 LEU H H 99 8.692 8.692 8.688 0.004 19731 1640 1 2 . 1 1 100 100 ASP N N 100 113.733 113.733 119.984 -6.251 19731 1641 1 2 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.499 0.112 19731 1642 1 2 . 1 1 100 100 ASP C C 100 175.276 175.276 176.121 -0.845 19731 1643 1 2 . 1 1 100 100 ASP CA C 100 54.966 54.966 56.081 -1.115 19731 1644 1 2 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.193 -0.317 19731 1645 1 2 . 1 1 100 100 ASP H H 100 9.191 9.191 8.377 0.814 19731 1646 1 2 . 1 1 101 101 LEU N N 101 119.932 119.932 120.646 -0.714 19731 1647 1 2 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.864 -0.063 19731 1648 1 2 . 1 1 101 101 LEU C C 101 172.522 172.522 174.399 -1.877 19731 1649 1 2 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.727 -0.362 19731 1650 1 2 . 1 1 101 101 LEU CB C 101 45.338 45.338 43.545 1.793 19731 1651 1 2 . 1 1 101 101 LEU H H 101 7.427 7.427 7.323 0.104 19731 1652 1 2 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.302 0.179 19731 1653 1 2 . 1 1 103 103 PRO C C 103 178.429 178.429 177.589 0.840 19731 1654 1 2 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.287 -0.365 19731 1655 1 2 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.186 0.235 19731 1656 1 2 . 1 1 104 104 GLY N N 104 113.733 113.733 112.034 1.699 19731 1657 1 2 . 1 1 104 104 GLY C C 104 172.144 172.144 173.818 -1.674 19731 1658 1 2 . 1 1 104 104 GLY CA C 104 45.964 45.964 44.957 1.007 19731 1659 1 2 . 1 1 104 104 GLY H H 104 9.826 9.826 8.525 1.301 19731 1660 1 2 . 1 1 105 105 VAL N N 105 116.265 116.265 116.928 -0.663 19731 1661 1 2 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.264 -0.560 19731 1662 1 2 . 1 1 105 105 VAL C C 105 174.654 174.654 173.774 0.880 19731 1663 1 2 . 1 1 105 105 VAL CA C 105 60.523 60.523 58.581 1.942 19731 1664 1 2 . 1 1 105 105 VAL CB C 105 34.927 34.927 34.053 0.874 19731 1665 1 2 . 1 1 105 105 VAL H H 105 7.518 7.518 7.387 0.131 19731 1666 1 2 . 1 1 106 106 ALA N N 106 129.764 129.764 121.512 8.252 19731 1667 1 2 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.263 0.152 19731 1668 1 2 . 1 1 106 106 ALA C C 106 174.954 174.954 175.371 -0.417 19731 1669 1 2 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.810 0.711 19731 1670 1 2 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.830 0.903 19731 1671 1 2 . 1 1 106 106 ALA H H 106 9.484 9.484 8.084 1.400 19731 1672 1 2 . 1 1 107 107 LYS N N 107 113.733 113.733 118.727 -4.994 19731 1673 1 2 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.807 0.114 19731 1674 1 2 . 1 1 107 107 LYS C C 107 176.262 176.262 175.204 1.058 19731 1675 1 2 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.484 -0.910 19731 1676 1 2 . 1 1 107 107 LYS CB C 107 39.623 39.623 35.674 3.949 19731 1677 1 2 . 1 1 107 107 LYS H H 107 8.184 8.184 7.934 0.250 19731 1678 1 2 . 1 1 108 108 PHE N N 108 122.733 122.733 125.048 -2.315 19731 1679 1 2 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.539 1.482 19731 1680 1 2 . 1 1 108 108 PHE C C 108 177.828 177.828 174.565 3.263 19731 1681 1 2 . 1 1 108 108 PHE CA C 108 56.688 56.688 58.970 -2.282 19731 1682 1 2 . 1 1 108 108 PHE CB C 108 42.128 42.128 41.199 0.929 19731 1683 1 2 . 1 1 108 108 PHE H H 108 11.610 11.610 8.918 2.692 19731 1684 1 2 . 1 1 109 109 LYS N N 109 122.733 122.733 120.817 1.916 19731 1685 1 2 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.458 0.145 19731 1686 1 2 . 1 1 109 109 LYS C C 109 173.152 173.152 174.135 -0.983 19731 1687 1 2 . 1 1 109 109 LYS CA C 109 56.218 56.218 55.565 0.653 19731 1688 1 2 . 1 1 109 109 LYS CB C 109 38.449 38.449 34.392 4.057 19731 1689 1 2 . 1 1 109 109 LYS H H 109 9.275 9.275 8.689 0.586 19731 1690 1 2 . 1 1 110 110 GLN N N 110 126.952 126.952 125.691 1.261 19731 1691 1 2 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.057 0.069 19731 1692 1 2 . 1 1 110 110 GLN C C 110 175.040 175.040 175.343 -0.303 19731 1693 1 2 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.527 1.364 19731 1694 1 2 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.080 -0.633 19731 1695 1 2 . 1 1 110 110 GLN H H 110 8.910 8.910 8.393 0.517 19731 1696 1 2 . 1 1 111 111 GLY N N 111 113.910 113.910 114.154 -0.244 19731 1697 1 2 . 1 1 111 111 GLY C C 111 171.543 171.543 173.343 -1.800 19731 1698 1 2 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.285 0.348 19731 1699 1 2 . 1 1 111 111 GLY H H 111 7.170 7.170 7.581 -0.411 19731 1700 1 2 . 1 1 112 112 GLY N N 112 102.365 102.365 111.341 -8.976 19731 1701 1 2 . 1 1 112 112 GLY C C 112 174.954 174.954 174.400 0.554 19731 1702 1 2 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.920 -1.540 19731 1703 1 2 . 1 1 112 112 GLY H H 112 7.634 7.634 8.457 -0.823 19731 1704 1 2 . 1 1 113 113 GLY N N 113 104.247 104.247 109.180 -4.933 19731 1705 1 2 . 1 1 113 113 GLY C C 113 174.737 174.737 173.955 0.782 19731 1706 1 2 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.119 0.286 19731 1707 1 2 . 1 1 113 113 GLY H H 113 8.109 8.109 8.280 -0.171 19731 1708 1 2 . 1 1 114 114 HIS N N 114 114.133 114.133 116.090 -1.957 19731 1709 1 2 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.565 -0.044 19731 1710 1 2 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.722 0.475 19731 1711 1 2 . 1 1 114 114 HIS CB C 114 31.659 31.659 31.048 0.611 19731 1712 1 2 . 1 1 114 114 HIS H H 114 7.472 7.472 7.436 0.036 19731 1713 1 2 . 1 1 115 115 GLY N N 115 111.756 111.756 109.414 2.342 19731 1714 1 2 . 1 1 115 115 GLY C C 115 175.298 175.298 174.521 0.777 19731 1715 1 2 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.361 2.546 19731 1716 1 2 . 1 1 115 115 GLY H H 115 8.472 8.472 8.916 -0.444 19731 1717 1 2 . 1 1 116 116 GLY N N 116 112.890 112.890 107.907 4.983 19731 1718 1 2 . 1 1 116 116 GLY C C 116 174.010 174.010 174.084 -0.074 19731 1719 1 2 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.527 -0.809 19731 1720 1 2 . 1 1 116 116 GLY H H 116 11.124 11.124 8.518 2.606 19731 1721 1 2 . 1 1 117 117 HIS N N 117 124.702 124.702 117.099 7.603 19731 1722 1 2 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.904 -0.370 19731 1723 1 2 . 1 1 117 117 HIS C C 117 177.485 177.485 174.785 2.700 19731 1724 1 2 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.819 2.333 19731 1725 1 2 . 1 1 117 117 HIS CB C 117 32.422 32.422 31.446 0.976 19731 1726 1 2 . 1 1 117 117 HIS H H 117 8.275 8.275 7.679 0.596 19731 1727 1 2 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.246 0.107 19731 1728 1 2 . 1 1 118 118 ASN C C 118 178.751 178.751 177.642 1.109 19731 1729 1 2 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.487 0.123 19731 1730 1 2 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.031 0.184 19731 1731 1 2 . 1 1 119 119 GLY N N 119 112.608 112.608 107.909 4.699 19731 1732 1 2 . 1 1 119 119 GLY C C 119 177.163 177.163 176.588 0.575 19731 1733 1 2 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.195 0.178 19731 1734 1 2 . 1 1 119 119 GLY H H 119 9.608 9.608 8.626 0.982 19731 1735 1 2 . 1 1 120 120 LEU N N 120 125.827 125.827 122.708 3.119 19731 1736 1 2 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.309 -0.336 19731 1737 1 2 . 1 1 120 120 LEU C C 120 178.729 178.729 179.041 -0.312 19731 1738 1 2 . 1 1 120 120 LEU CA C 120 57.940 57.940 55.875 2.065 19731 1739 1 2 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.912 1.921 19731 1740 1 2 . 1 1 120 120 LEU H H 120 8.199 8.199 7.795 0.404 19731 1741 1 2 . 1 1 121 121 LYS N N 121 119.921 119.921 121.304 -1.383 19731 1742 1 2 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.046 -0.365 19731 1743 1 2 . 1 1 121 121 LYS C C 121 178.708 178.708 178.309 0.399 19731 1744 1 2 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.882 1.955 19731 1745 1 2 . 1 1 121 121 LYS CB C 121 33.204 33.204 32.002 1.202 19731 1746 1 2 . 1 1 121 121 LYS H H 121 8.760 8.760 8.504 0.256 19731 1747 1 2 . 1 1 122 122 ASP N N 122 117.389 117.389 118.842 -1.453 19731 1748 1 2 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.421 0.129 19731 1749 1 2 . 1 1 122 122 ASP C C 122 178.107 178.107 178.368 -0.261 19731 1750 1 2 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.879 0.296 19731 1751 1 2 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.529 3.165 19731 1752 1 2 . 1 1 122 122 ASP H H 122 7.245 7.245 8.565 -1.320 19731 1753 1 2 . 1 1 123 123 THR N N 123 116.546 116.546 115.859 0.687 19731 1754 1 2 . 1 1 123 123 THR HA H 123 3.830 3.830 3.933 -0.103 19731 1755 1 2 . 1 1 123 123 THR C C 123 174.696 174.696 176.386 -1.690 19731 1756 1 2 . 1 1 123 123 THR CA C 123 69.447 69.447 66.338 3.109 19731 1757 1 2 . 1 1 123 123 THR CB C 123 67.803 67.803 68.679 -0.876 19731 1758 1 2 . 1 1 123 123 THR H H 123 7.639 7.639 7.494 0.145 19731 1759 1 2 . 1 1 124 124 ILE N N 124 118.736 118.736 121.088 -2.352 19731 1760 1 2 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.905 0.488 19731 1761 1 2 . 1 1 124 124 ILE C C 124 179.051 179.051 177.993 1.058 19731 1762 1 2 . 1 1 124 124 ILE CA C 124 65.453 65.453 63.089 2.364 19731 1763 1 2 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.193 3.385 19731 1764 1 2 . 1 1 124 124 ILE H H 124 8.078 8.078 7.478 0.600 19731 1765 1 2 . 1 1 125 125 SER N N 125 110.921 110.921 115.642 -4.721 19731 1766 1 2 . 1 1 125 125 SER HA H 125 4.177 4.177 4.255 -0.078 19731 1767 1 2 . 1 1 125 125 SER C C 125 178.729 178.729 176.082 2.647 19731 1768 1 2 . 1 1 125 125 SER CA C 125 61.619 61.619 61.301 0.318 19731 1769 1 2 . 1 1 125 125 SER CB C 125 63.263 63.263 63.150 0.113 19731 1770 1 2 . 1 1 125 125 SER H H 125 7.397 7.397 8.202 -0.805 19731 1771 1 2 . 1 1 126 126 LYS N N 126 119.572 119.572 121.019 -1.447 19731 1772 1 2 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.315 -0.068 19731 1773 1 2 . 1 1 126 126 LYS C C 126 178.407 178.407 177.683 0.724 19731 1774 1 2 . 1 1 126 126 LYS CA C 126 58.019 58.019 58.321 -0.302 19731 1775 1 2 . 1 1 126 126 LYS CB C 126 31.874 31.874 33.650 -1.776 19731 1776 1 2 . 1 1 126 126 LYS H H 126 8.457 8.457 7.849 0.608 19731 1777 1 2 . 1 1 127 127 LEU N N 127 119.633 119.633 117.872 1.761 19731 1778 1 2 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.673 -0.108 19731 1779 1 2 . 1 1 127 127 LEU C C 127 176.542 176.542 176.883 -0.341 19731 1780 1 2 . 1 1 127 127 LEU CA C 127 54.291 54.291 53.793 0.498 19731 1781 1 2 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.767 -2.316 19731 1782 1 2 . 1 1 127 127 LEU H H 127 7.753 7.753 8.187 -0.434 19731 1783 1 2 . 1 1 128 128 GLY N N 128 107.827 107.827 108.944 -1.117 19731 1784 1 2 . 1 1 128 128 GLY C C 128 179.094 179.094 174.567 4.527 19731 1785 1 2 . 1 1 128 128 GLY CA C 128 46.903 46.903 46.171 0.732 19731 1786 1 2 . 1 1 128 128 GLY H H 128 7.773 7.773 7.753 0.020 19731 1787 1 2 . 1 1 129 129 ASN N N 129 115.879 115.879 117.615 -1.736 19731 1788 1 2 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.565 -0.213 19731 1789 1 2 . 1 1 129 129 ASN C C 129 175.028 175.028 175.440 -0.412 19731 1790 1 2 . 1 1 129 129 ASN CA C 129 54.261 54.261 54.742 -0.481 19731 1791 1 2 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.773 -1.733 19731 1792 1 2 . 1 1 129 129 ASN H H 129 8.246 8.246 8.264 -0.018 19731 1793 1 2 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.439 0.255 19731 1794 1 2 . 1 1 131 131 LYS C C 131 178.450 178.450 177.426 1.024 19731 1795 1 2 . 1 1 131 131 LYS CA C 131 56.554 56.554 58.018 -1.464 19731 1796 1 2 . 1 1 131 131 LYS CB C 131 33.204 33.204 32.937 0.267 19731 1797 1 2 . 1 1 132 132 GLU N N 132 119.297 119.297 120.757 -1.460 19731 1798 1 2 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.171 -0.298 19731 1799 1 2 . 1 1 132 132 GLU C C 132 175.318 175.318 174.603 0.715 19731 1800 1 2 . 1 1 132 132 GLU CA C 132 56.923 56.923 55.203 1.720 19731 1801 1 2 . 1 1 132 132 GLU CB C 132 27.803 27.803 28.433 -0.630 19731 1802 1 2 . 1 1 132 132 GLU H H 132 8.699 8.699 8.655 0.044 19731 1803 1 2 . 1 1 133 133 PHE N N 133 114.296 114.296 114.702 -0.406 19731 1804 1 2 . 1 1 133 133 PHE HA H 133 5.067 5.067 5.210 -0.143 19731 1805 1 2 . 1 1 133 133 PHE C C 133 177.785 177.785 174.280 3.505 19731 1806 1 2 . 1 1 133 133 PHE CA C 133 55.201 55.201 54.658 0.543 19731 1807 1 2 . 1 1 133 133 PHE CB C 133 40.249 40.249 40.546 -0.297 19731 1808 1 2 . 1 1 133 133 PHE H H 133 6.669 6.669 7.583 -0.914 19731 1809 1 2 . 1 1 134 134 TYR N N 134 121.046 121.046 120.229 0.817 19731 1810 1 2 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.452 -0.479 19731 1811 1 2 . 1 1 134 134 TYR C C 134 176.219 176.219 176.203 0.016 19731 1812 1 2 . 1 1 134 134 TYR CA C 134 59.506 59.506 58.131 1.375 19731 1813 1 2 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.589 1.069 19731 1814 1 2 . 1 1 134 134 TYR H H 134 9.230 9.230 8.322 0.908 19731 1815 1 2 . 1 1 135 135 ARG N N 135 119.639 119.639 120.917 -1.278 19731 1816 1 2 . 1 1 135 135 ARG HA H 135 5.908 5.908 4.960 0.948 19731 1817 1 2 . 1 1 135 135 ARG C C 135 174.353 174.353 174.396 -0.043 19731 1818 1 2 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.548 -0.790 19731 1819 1 2 . 1 1 135 135 ARG CB C 135 32.187 32.187 32.924 -0.737 19731 1820 1 2 . 1 1 135 135 ARG H H 135 9.896 9.896 8.621 1.275 19731 1821 1 2 . 1 1 136 136 LEU N N 136 126.108 126.108 119.339 6.769 19731 1822 1 2 . 1 1 136 136 LEU HA H 136 4.858 4.858 4.964 -0.106 19731 1823 1 2 . 1 1 136 136 LEU C C 136 173.131 173.131 175.828 -2.697 19731 1824 1 2 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.242 1.489 19731 1825 1 2 . 1 1 136 136 LEU CB C 136 42.989 42.989 44.460 -1.471 19731 1826 1 2 . 1 1 136 136 LEU H H 136 8.601 8.601 8.181 0.420 19731 1827 1 2 . 1 1 137 137 ARG N N 137 124.421 124.421 119.131 5.290 19731 1828 1 2 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.041 -1.501 19731 1829 1 2 . 1 1 137 137 ARG C C 137 174.010 174.010 173.945 0.065 19731 1830 1 2 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.192 1.292 19731 1831 1 2 . 1 1 137 137 ARG CB C 137 32.265 32.265 33.499 -1.234 19731 1832 1 2 . 1 1 137 137 ARG H H 137 9.230 9.230 8.066 1.164 19731 1833 1 2 . 1 1 138 138 LEU N N 138 125.827 125.827 120.791 5.036 19731 1834 1 2 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.915 -0.466 19731 1835 1 2 . 1 1 138 138 LEU C C 138 175.940 175.940 176.884 -0.944 19731 1836 1 2 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.155 0.715 19731 1837 1 2 . 1 1 138 138 LEU CB C 138 41.580 41.580 44.308 -2.728 19731 1838 1 2 . 1 1 138 138 LEU H H 138 8.640 8.640 7.883 0.757 19731 1839 1 2 . 1 1 139 139 GLY N N 139 113.171 113.171 109.210 3.961 19731 1840 1 2 . 1 1 139 139 GLY C C 139 174.353 174.353 174.709 -0.356 19731 1841 1 2 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.408 3.374 19731 1842 1 2 . 1 1 139 139 GLY H H 139 8.578 8.578 9.095 -0.517 19731 1843 1 2 . 1 1 140 140 ILE N N 140 112.046 112.046 125.048 -13.002 19731 1844 1 2 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.325 0.436 19731 1845 1 2 . 1 1 140 140 ILE C C 140 178.707 178.707 175.562 3.145 19731 1846 1 2 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.774 1.063 19731 1847 1 2 . 1 1 140 140 ILE CB C 140 42.050 42.050 39.322 2.728 19731 1848 1 2 . 1 1 140 140 ILE H H 140 8.125 8.125 7.730 0.395 19731 1849 1 2 . 1 1 141 141 GLY N N 141 116.265 116.265 107.651 8.614 19731 1850 1 2 . 1 1 141 141 GLY C C 141 167.232 167.232 172.477 -5.245 19731 1851 1 2 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.041 1.375 19731 1852 1 2 . 1 1 141 141 GLY H H 141 9.411 9.411 7.652 1.759 19731 1853 1 2 . 1 1 142 142 HIS N N 142 113.452 113.452 120.354 -6.902 19731 1854 1 2 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.907 -0.542 19731 1855 1 2 . 1 1 142 142 HIS C C 142 175.640 175.640 173.044 2.596 19731 1856 1 2 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.811 1.276 19731 1857 1 2 . 1 1 142 142 HIS CB C 142 34.613 34.613 29.818 4.795 19731 1858 1 2 . 1 1 142 142 HIS H H 142 7.578 7.578 8.049 -0.471 19731 1859 1 2 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.489 0.134 19731 1860 1 2 . 1 1 143 143 PRO C C 143 176.842 176.842 176.359 0.483 19731 1861 1 2 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.444 -0.522 19731 1862 1 2 . 1 1 143 143 PRO CB C 143 32.828 32.828 32.041 0.786 19731 1863 1 2 . 1 1 144 144 GLY N N 144 106.468 106.468 111.849 -5.381 19731 1864 1 2 . 1 1 144 144 GLY C C 144 173.411 173.411 173.024 0.387 19731 1865 1 2 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.964 -0.743 19731 1866 1 2 . 1 1 144 144 GLY H H 144 8.133 8.133 8.640 -0.507 19731 1867 1 2 . 1 1 145 145 HIS N N 145 117.271 117.271 121.141 -3.870 19731 1868 1 2 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.986 -0.452 19731 1869 1 2 . 1 1 145 145 HIS C C 145 176.636 176.636 176.097 0.539 19731 1870 1 2 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.874 1.205 19731 1871 1 2 . 1 1 145 145 HIS CB C 145 34.144 34.144 32.115 2.029 19731 1872 1 2 . 1 1 145 145 HIS H H 145 7.067 7.067 8.646 -1.579 19731 1873 1 2 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.299 -0.057 19731 1874 1 2 . 1 1 146 146 LYS C C 146 178.429 178.429 177.600 0.829 19731 1875 1 2 . 1 1 146 146 LYS CA C 146 59.547 59.547 58.418 1.129 19731 1876 1 2 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.663 -0.397 19731 1877 1 2 . 1 1 147 147 ASP N N 147 122.171 122.171 119.454 2.717 19731 1878 1 2 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.466 0.171 19731 1879 1 2 . 1 1 147 147 ASP C C 147 177.442 177.442 177.006 0.436 19731 1880 1 2 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.865 -0.726 19731 1881 1 2 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.859 -0.766 19731 1882 1 2 . 1 1 147 147 ASP H H 147 10.805 10.805 8.835 1.970 19731 1883 1 2 . 1 1 148 148 LYS N N 148 116.546 116.546 117.080 -0.534 19731 1884 1 2 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.596 -0.082 19731 1885 1 2 . 1 1 148 148 LYS C C 148 177.163 177.163 176.943 0.220 19731 1886 1 2 . 1 1 148 148 LYS CA C 148 55.827 55.827 55.968 -0.141 19731 1887 1 2 . 1 1 148 148 LYS CB C 148 34.613 34.613 32.306 2.307 19731 1888 1 2 . 1 1 148 148 LYS H H 148 7.775 7.775 7.471 0.304 19731 1889 1 2 . 1 1 149 149 VAL N N 149 121.046 121.046 118.626 2.420 19731 1890 1 2 . 1 1 149 149 VAL HA H 149 3.245 3.245 2.782 0.463 19731 1891 1 2 . 1 1 149 149 VAL C C 149 176.241 176.241 176.863 -0.622 19731 1892 1 2 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.774 2.421 19731 1893 1 2 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.299 0.810 19731 1894 1 2 . 1 1 149 149 VAL H H 149 7.366 7.366 7.549 -0.183 19731 1895 1 2 . 1 1 150 150 ALA N N 150 121.889 121.889 121.641 0.248 19731 1896 1 2 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.915 0.134 19731 1897 1 2 . 1 1 150 150 ALA C C 150 180.016 180.016 179.555 0.461 19731 1898 1 2 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.924 0.903 19731 1899 1 2 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.667 -0.040 19731 1900 1 2 . 1 1 150 150 ALA H H 150 8.675 8.675 8.406 0.269 19731 1901 1 2 . 1 1 151 151 GLY N N 151 102.202 102.202 107.730 -5.528 19731 1902 1 2 . 1 1 151 151 GLY C C 151 175.919 175.919 175.769 0.150 19731 1903 1 2 . 1 1 151 151 GLY CA C 151 45.964 45.964 47.136 -1.172 19731 1904 1 2 . 1 1 151 151 GLY H H 151 8.366 8.366 7.433 0.933 19731 1905 1 2 . 1 1 152 152 TYR N N 152 123.296 123.296 116.752 6.544 19731 1906 1 2 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.513 -0.282 19731 1907 1 2 . 1 1 152 152 TYR C C 152 179.694 179.694 176.840 2.854 19731 1908 1 2 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.304 3.080 19731 1909 1 2 . 1 1 152 152 TYR CB C 152 40.484 40.484 38.119 2.365 19731 1910 1 2 . 1 1 152 152 TYR H H 152 7.942 7.942 6.913 1.029 19731 1911 1 2 . 1 1 153 153 VAL N N 153 112.890 112.890 117.900 -5.010 19731 1912 1 2 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.910 0.118 19731 1913 1 2 . 1 1 153 153 VAL C C 153 175.620 175.620 177.282 -1.662 19731 1914 1 2 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.318 -0.176 19731 1915 1 2 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.064 -0.973 19731 1916 1 2 . 1 1 153 153 VAL H H 153 8.618 8.618 7.857 0.761 19731 1917 1 2 . 1 1 154 154 LEU N N 154 117.108 117.108 111.499 5.609 19731 1918 1 2 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.699 0.018 19731 1919 1 2 . 1 1 154 154 LEU C C 154 175.297 175.297 176.596 -1.299 19731 1920 1 2 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.757 0.191 19731 1921 1 2 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.391 -0.750 19731 1922 1 2 . 1 1 154 154 LEU H H 154 6.897 6.897 7.683 -0.786 19731 1923 1 2 . 1 1 155 155 GLY N N 155 107.827 107.827 108.143 -0.316 19731 1924 1 2 . 1 1 155 155 GLY C C 155 171.844 171.844 173.558 -1.714 19731 1925 1 2 . 1 1 155 155 GLY CA C 155 43.615 43.615 44.361 -0.746 19731 1926 1 2 . 1 1 155 155 GLY H H 155 7.351 7.351 7.321 0.030 19731 1927 1 2 . 1 1 156 156 LYS N N 156 118.233 118.233 118.472 -0.239 19731 1928 1 2 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.688 -0.032 19731 1929 1 2 . 1 1 156 156 LYS C C 156 176.541 176.541 176.790 -0.249 19731 1930 1 2 . 1 1 156 156 LYS CA C 156 54.887 54.887 56.371 -1.484 19731 1931 1 2 . 1 1 156 156 LYS CB C 156 33.518 33.518 33.146 0.372 19731 1932 1 2 . 1 1 156 156 LYS H H 156 8.154 8.154 8.319 -0.165 19731 1933 1 2 . 1 1 157 157 ALA N N 157 130.608 130.608 127.461 3.147 19731 1934 1 2 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.526 -0.132 19731 1935 1 2 . 1 1 157 157 ALA C C 157 175.876 175.876 175.496 0.380 19731 1936 1 2 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.785 1.109 19731 1937 1 2 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.036 -0.252 19731 1938 1 2 . 1 1 157 157 ALA H H 157 9.777 9.777 8.038 1.739 19731 1939 1 2 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.507 0.009 19731 1940 1 2 . 1 1 158 158 PRO C C 158 176.532 176.532 176.956 -0.424 19731 1941 1 2 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.332 -0.165 19731 1942 1 2 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.483 -0.140 19731 1943 1 2 . 1 1 159 159 ALA N N 159 123.733 123.733 127.688 -3.955 19731 1944 1 2 . 1 1 159 159 ALA HA H 159 4.044 4.044 3.973 0.071 19731 1945 1 2 . 1 1 159 159 ALA C C 159 179.706 179.706 179.728 -0.022 19731 1946 1 2 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.658 1.108 19731 1947 1 2 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.633 0.246 19731 1948 1 2 . 1 1 159 159 ALA H H 159 8.575 8.575 8.680 -0.105 19731 1949 1 2 . 1 1 160 160 LYS N N 160 116.796 116.796 117.121 -0.325 19731 1950 1 2 . 1 1 160 160 LYS HA H 160 4.157 4.157 3.964 0.193 19731 1951 1 2 . 1 1 160 160 LYS C C 160 179.115 179.115 178.549 0.566 19731 1952 1 2 . 1 1 160 160 LYS CA C 160 58.958 58.958 59.430 -0.472 19731 1953 1 2 . 1 1 160 160 LYS CB C 160 31.561 31.561 32.204 -0.643 19731 1954 1 2 . 1 1 160 160 LYS H H 160 8.883 8.883 8.367 0.516 19731 1955 1 2 . 1 1 161 161 GLU N N 161 118.514 118.514 117.832 0.682 19731 1956 1 2 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.125 -0.011 19731 1957 1 2 . 1 1 161 161 GLU C C 161 178.707 178.707 178.704 0.003 19731 1958 1 2 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.359 0.990 19731 1959 1 2 . 1 1 161 161 GLU CB C 161 31.247 31.247 30.101 1.146 19731 1960 1 2 . 1 1 161 161 GLU H H 161 6.988 6.988 7.686 -0.698 19731 1961 1 2 . 1 1 162 162 GLN N N 162 120.202 120.202 120.115 0.087 19731 1962 1 2 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.018 -0.318 19731 1963 1 2 . 1 1 162 162 GLN C C 162 177.184 177.184 177.720 -0.536 19731 1964 1 2 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.690 -0.671 19731 1965 1 2 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.730 -0.457 19731 1966 1 2 . 1 1 162 162 GLN H H 162 8.988 8.988 8.513 0.475 19731 1967 1 2 . 1 1 163 163 GLU N N 163 117.952 117.952 119.837 -1.885 19731 1968 1 2 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.169 -0.029 19731 1969 1 2 . 1 1 163 163 GLU C C 163 180.273 180.273 178.752 1.521 19731 1970 1 2 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.322 0.575 19731 1971 1 2 . 1 1 163 163 GLU CB C 163 29.760 29.760 28.508 1.252 19731 1972 1 2 . 1 1 163 163 GLU H H 163 8.063 8.063 8.378 -0.315 19731 1973 1 2 . 1 1 164 164 CYS N N 164 118.796 118.796 117.918 0.878 19731 1974 1 2 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.268 -0.128 19731 1975 1 2 . 1 1 164 164 CYS C C 164 176.562 176.562 176.541 0.021 19731 1976 1 2 . 1 1 164 164 CYS CA C 164 63.420 63.420 62.200 1.220 19731 1977 1 2 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.268 0.048 19731 1978 1 2 . 1 1 164 164 CYS H H 164 7.306 7.306 7.634 -0.328 19731 1979 1 2 . 1 1 165 165 LEU N N 165 121.327 121.327 122.123 -0.796 19731 1980 1 2 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.092 0.205 19731 1981 1 2 . 1 1 165 165 LEU C C 165 179.029 179.029 178.172 0.857 19731 1982 1 2 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.051 0.359 19731 1983 1 2 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.783 0.502 19731 1984 1 2 . 1 1 165 165 LEU H H 165 8.357 8.357 7.449 0.908 19731 1985 1 2 . 1 1 166 166 ASP N N 166 119.358 119.358 119.103 0.255 19731 1986 1 2 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.561 -0.330 19731 1987 1 2 . 1 1 166 166 ASP C C 166 179.029 179.029 178.095 0.934 19731 1988 1 2 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.772 -0.380 19731 1989 1 2 . 1 1 166 166 ASP CB C 166 39.701 39.701 41.328 -1.627 19731 1990 1 2 . 1 1 166 166 ASP H H 166 9.169 9.169 8.539 0.630 19731 1991 1 2 . 1 1 167 167 ALA N N 167 122.171 122.171 121.237 0.934 19731 1992 1 2 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.357 -0.035 19731 1993 1 2 . 1 1 167 167 ALA C C 167 180.616 180.616 179.930 0.686 19731 1994 1 2 . 1 1 167 167 ALA CA C 167 54.966 54.966 54.566 0.400 19731 1995 1 2 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.826 -0.338 19731 1996 1 2 . 1 1 167 167 ALA H H 167 7.745 7.745 7.794 -0.049 19731 1997 1 2 . 1 1 168 168 ALA N N 168 122.452 122.452 122.268 0.184 19731 1998 1 2 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.267 -0.203 19731 1999 1 2 . 1 1 168 168 ALA C C 168 180.917 180.917 179.852 1.065 19731 2000 1 2 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.781 0.654 19731 2001 1 2 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.256 -0.551 19731 2002 1 2 . 1 1 168 168 ALA H H 168 8.164 8.164 7.794 0.370 19731 2003 1 2 . 1 1 169 169 VAL N N 169 124.702 124.702 119.403 5.299 19731 2004 1 2 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.556 -0.114 19731 2005 1 2 . 1 1 169 169 VAL C C 169 177.442 177.442 177.351 0.091 19731 2006 1 2 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.555 1.170 19731 2007 1 2 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.331 0.308 19731 2008 1 2 . 1 1 169 169 VAL H H 169 9.052 9.052 7.786 1.266 19731 2009 1 2 . 1 1 170 170 ASP N N 170 119.358 119.358 119.455 -0.097 19731 2010 1 2 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.199 0.036 19731 2011 1 2 . 1 1 170 170 ASP C C 170 178.750 178.750 178.016 0.734 19731 2012 1 2 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.526 0.336 19731 2013 1 2 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.698 0.021 19731 2014 1 2 . 1 1 170 170 ASP H H 170 8.139 8.139 7.675 0.464 19731 2015 1 2 . 1 1 171 171 GLU N N 171 119.639 119.639 118.857 0.782 19731 2016 1 2 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.841 0.301 19731 2017 1 2 . 1 1 171 171 GLU C C 171 179.050 179.050 178.889 0.161 19731 2018 1 2 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.728 -0.553 19731 2019 1 2 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.932 -0.816 19731 2020 1 2 . 1 1 171 171 GLU H H 171 7.821 7.821 7.518 0.303 19731 2021 1 2 . 1 1 172 172 SER N N 172 119.251 119.251 115.436 3.815 19731 2022 1 2 . 1 1 172 172 SER HA H 172 3.818 3.818 4.156 -0.338 19731 2023 1 2 . 1 1 172 172 SER C C 172 175.919 175.919 176.803 -0.884 19731 2024 1 2 . 1 1 172 172 SER CA C 172 64.594 64.594 62.446 2.148 19731 2025 1 2 . 1 1 172 172 SER CB C 172 62.794 62.794 62.996 -0.202 19731 2026 1 2 . 1 1 172 172 SER H H 172 8.457 8.457 8.287 0.170 19731 2027 1 2 . 1 1 173 173 VAL N N 173 121.889 121.889 117.443 4.446 19731 2028 1 2 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.987 -0.525 19731 2029 1 2 . 1 1 173 173 VAL C C 173 178.407 178.407 177.028 1.379 19731 2030 1 2 . 1 1 173 173 VAL CA C 173 67.803 67.803 64.694 3.109 19731 2031 1 2 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.052 0.352 19731 2032 1 2 . 1 1 173 173 VAL H H 173 8.316 8.316 7.661 0.655 19731 2033 1 2 . 1 1 174 174 ARG N N 174 118.796 118.796 121.824 -3.028 19731 2034 1 2 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.244 -0.112 19731 2035 1 2 . 1 1 174 174 ARG C C 174 180.938 180.938 178.484 2.454 19731 2036 1 2 . 1 1 174 174 ARG CA C 174 59.506 59.506 57.472 2.034 19731 2037 1 2 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.011 1.062 19731 2038 1 2 . 1 1 174 174 ARG H H 174 7.669 7.669 8.294 -0.625 19731 2039 1 2 . 1 1 175 175 CYS N N 175 117.070 117.070 117.886 -0.816 19731 2040 1 2 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.245 0.082 19731 2041 1 2 . 1 1 175 175 CYS C C 175 176.541 176.541 176.942 -0.401 19731 2042 1 2 . 1 1 175 175 CYS CA C 175 64.437 64.437 62.659 1.778 19731 2043 1 2 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.482 0.773 19731 2044 1 2 . 1 1 175 175 CYS H H 175 8.649 8.649 8.357 0.292 19731 2045 1 2 . 1 1 176 176 LEU N N 176 125.264 125.264 121.717 3.547 19731 2046 1 2 . 1 1 176 176 LEU HA H 176 4.080 4.080 4.047 0.033 19731 2047 1 2 . 1 1 176 176 LEU C C 176 178.450 178.450 179.038 -0.588 19731 2048 1 2 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.364 0.498 19731 2049 1 2 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.580 0.314 19731 2050 1 2 . 1 1 176 176 LEU H H 176 8.699 8.699 7.697 1.002 19731 2051 1 2 . 1 1 177 177 GLU N N 177 118.260 118.260 120.324 -2.064 19731 2052 1 2 . 1 1 177 177 GLU HA H 177 3.761 3.761 3.965 -0.204 19731 2053 1 2 . 1 1 177 177 GLU C C 177 179.029 179.029 179.151 -0.122 19731 2054 1 2 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.433 1.090 19731 2055 1 2 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.893 -0.681 19731 2056 1 2 . 1 1 177 177 GLU H H 177 7.533 7.533 7.605 -0.072 19731 2057 1 2 . 1 1 178 178 ILE N N 178 118.788 118.788 119.394 -0.606 19731 2058 1 2 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.828 -0.151 19731 2059 1 2 . 1 1 178 178 ILE C C 178 177.785 177.785 178.088 -0.303 19731 2060 1 2 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.142 2.000 19731 2061 1 2 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.846 1.681 19731 2062 1 2 . 1 1 178 178 ILE H H 178 7.384 7.384 8.571 -1.187 19731 2063 1 2 . 1 1 179 179 LEU N N 179 123.577 123.577 121.050 2.527 19731 2064 1 2 . 1 1 179 179 LEU HA H 179 3.700 3.700 3.910 -0.210 19731 2065 1 2 . 1 1 179 179 LEU C C 179 178.129 178.129 177.866 0.263 19731 2066 1 2 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.373 0.272 19731 2067 1 2 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.059 -0.166 19731 2068 1 2 . 1 1 179 179 LEU H H 179 8.503 8.503 7.812 0.691 19731 2069 1 2 . 1 1 180 180 MET N N 180 113.171 113.171 111.280 1.891 19731 2070 1 2 . 1 1 180 180 MET HA H 180 4.186 4.186 4.606 -0.420 19731 2071 1 2 . 1 1 180 180 MET C C 180 176.498 176.498 176.267 0.231 19731 2072 1 2 . 1 1 180 180 MET CA C 180 55.905 55.905 56.678 -0.773 19731 2073 1 2 . 1 1 180 180 MET CB C 180 31.013 31.013 32.772 -1.758 19731 2074 1 2 . 1 1 180 180 MET H H 180 7.139 7.139 7.594 -0.455 19731 2075 1 2 . 1 1 181 181 LYS N N 181 117.952 117.952 121.186 -3.234 19731 2076 1 2 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.306 -0.033 19731 2077 1 2 . 1 1 181 181 LYS C C 181 176.542 176.542 177.049 -0.507 19731 2078 1 2 . 1 1 181 181 LYS CA C 181 58.723 58.723 58.133 0.590 19731 2079 1 2 . 1 1 181 181 LYS CB C 181 34.927 34.927 34.184 0.743 19731 2080 1 2 . 1 1 181 181 LYS H H 181 7.665 7.665 7.591 0.074 19731 2081 1 2 . 1 1 182 182 ASP N N 182 116.827 116.827 116.022 0.805 19731 2082 1 2 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.865 0.055 19731 2083 1 2 . 1 1 182 182 ASP C C 182 177.485 177.485 174.246 3.239 19731 2084 1 2 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.759 1.128 19731 2085 1 2 . 1 1 182 182 ASP CB C 182 44.790 44.790 44.170 0.620 19731 2086 1 2 . 1 1 182 182 ASP H H 182 9.191 9.191 8.288 0.903 19731 2087 1 2 . 1 1 183 183 GLY N N 183 110.358 110.358 107.073 3.285 19731 2088 1 2 . 1 1 183 183 GLY C C 183 173.410 173.410 173.965 -0.555 19731 2089 1 2 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.600 0.041 19731 2090 1 2 . 1 1 183 183 GLY H H 183 7.745 7.745 8.067 -0.322 19731 2091 1 2 . 1 1 184 184 LEU N N 184 118.796 118.796 122.642 -3.846 19731 2092 1 2 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.042 -0.342 19731 2093 1 2 . 1 1 184 184 LEU C C 184 177.506 177.506 177.875 -0.369 19731 2094 1 2 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.693 0.717 19731 2095 1 2 . 1 1 184 184 LEU CB C 184 42.206 42.206 42.029 0.177 19731 2096 1 2 . 1 1 184 184 LEU H H 184 8.381 8.381 8.749 -0.368 19731 2097 1 2 . 1 1 185 185 THR N N 185 115.421 115.421 112.921 2.500 19731 2098 1 2 . 1 1 185 185 THR HA H 185 3.819 3.819 3.855 -0.036 19731 2099 1 2 . 1 1 185 185 THR C C 185 176.520 176.520 176.397 0.123 19731 2100 1 2 . 1 1 185 185 THR CA C 185 67.021 67.021 66.237 0.784 19731 2101 1 2 . 1 1 185 185 THR CB C 185 68.351 68.351 68.364 -0.013 19731 2102 1 2 . 1 1 185 185 THR H H 185 8.336 8.336 8.249 0.087 19731 2103 1 2 . 1 1 186 186 LYS N N 186 120.202 120.202 121.065 -0.863 19731 2104 1 2 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.165 -0.207 19731 2105 1 2 . 1 1 186 186 LYS C C 186 179.329 179.329 178.480 0.849 19731 2106 1 2 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.793 0.754 19731 2107 1 2 . 1 1 186 186 LYS CB C 186 32.343 32.343 32.300 0.043 19731 2108 1 2 . 1 1 186 186 LYS H H 186 8.237 8.237 7.449 0.788 19731 2109 1 2 . 1 1 187 187 ALA N N 187 121.889 121.889 123.360 -1.471 19731 2110 1 2 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.047 -0.134 19731 2111 1 2 . 1 1 187 187 ALA C C 187 178.772 178.772 179.579 -0.807 19731 2112 1 2 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.123 0.782 19731 2113 1 2 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.250 1.334 19731 2114 1 2 . 1 1 187 187 ALA H H 187 7.566 7.566 7.472 0.094 19731 2115 1 2 . 1 1 188 188 GLN N N 188 117.952 117.952 117.956 -0.004 19731 2116 1 2 . 1 1 188 188 GLN HA H 188 3.809 3.809 4.064 -0.255 19731 2117 1 2 . 1 1 188 188 GLN C C 188 176.863 176.863 178.861 -1.998 19731 2118 1 2 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.816 0.220 19731 2119 1 2 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.247 0.808 19731 2120 1 2 . 1 1 188 188 GLN H H 188 9.125 9.125 8.593 0.532 19731 2121 1 2 . 1 1 189 189 ASN N N 189 117.100 117.100 117.107 -0.007 19731 2122 1 2 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.558 -0.132 19731 2123 1 2 . 1 1 189 189 ASN C C 189 177.463 177.463 176.988 0.475 19731 2124 1 2 . 1 1 189 189 ASN CA C 189 55.670 55.670 55.792 -0.122 19731 2125 1 2 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.414 -0.436 19731 2126 1 2 . 1 1 189 189 ASN H H 189 8.275 8.275 7.708 0.567 19731 2127 1 2 . 1 1 190 190 ARG N N 190 117.389 117.389 120.076 -2.687 19731 2128 1 2 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.279 0.216 19731 2129 1 2 . 1 1 190 190 ARG C C 190 178.428 178.428 178.749 -0.321 19731 2130 1 2 . 1 1 190 190 ARG CA C 190 59.036 59.036 58.012 1.024 19731 2131 1 2 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.622 0.139 19731 2132 1 2 . 1 1 190 190 ARG H H 190 7.230 7.230 7.517 -0.287 19731 2133 1 2 . 1 1 191 191 LEU N N 191 122.155 122.155 121.054 1.101 19731 2134 1 2 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.017 0.123 19731 2135 1 2 . 1 1 191 191 LEU C C 191 179.373 179.373 177.664 1.709 19731 2136 1 2 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.447 0.198 19731 2137 1 2 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.987 -0.485 19731 2138 1 2 . 1 1 191 191 LEU H H 191 8.624 8.624 8.868 -0.244 19731 2139 1 2 . 1 1 192 192 HIS N N 192 113.452 113.452 114.540 -1.088 19731 2140 1 2 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.889 0.202 19731 2141 1 2 . 1 1 192 192 HIS C C 192 177.163 177.163 176.155 1.008 19731 2142 1 2 . 1 1 192 192 HIS CA C 192 57.001 57.001 58.363 -1.362 19731 2143 1 2 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.437 -2.086 19731 2144 1 2 . 1 1 192 192 HIS H H 192 9.017 9.017 7.695 1.322 19731 2145 1 2 . 1 1 193 193 THR N N 193 110.077 110.077 114.198 -4.121 19731 2146 1 2 . 1 1 193 193 THR HA H 193 4.499 4.499 4.164 0.335 19731 2147 1 2 . 1 1 193 193 THR C C 193 174.053 174.053 174.319 -0.266 19731 2148 1 2 . 1 1 193 193 THR CA C 193 62.011 62.011 64.198 -2.187 19731 2149 1 2 . 1 1 193 193 THR CB C 193 69.995 69.995 69.644 0.351 19731 2150 1 2 . 1 1 193 193 THR H H 193 7.632 7.632 7.554 0.078 19731 2151 1 2 . 1 1 194 194 PHE N N 194 124.702 124.702 125.584 -0.882 19731 2152 1 2 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.365 0.084 19731 2153 1 2 . 1 1 194 194 PHE C C 194 175.640 175.640 173.419 2.221 19731 2154 1 2 . 1 1 194 194 PHE CA C 194 59.271 59.271 58.959 0.312 19731 2155 1 2 . 1 1 194 194 PHE CB C 194 39.858 39.858 39.039 0.819 19731 2156 1 2 . 1 1 194 194 PHE H H 194 7.722 7.722 8.109 -0.387 19731 2157 1 2 . 1 1 195 195 LYS N N 195 128.639 128.639 126.349 2.290 19731 2158 1 2 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.521 -0.326 19731 2159 1 2 . 1 1 195 195 LYS C C 195 174.032 174.032 174.445 -0.413 19731 2160 1 2 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.929 2.524 19731 2161 1 2 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.156 -0.229 19731 2162 1 2 . 1 1 195 195 LYS H H 195 7.615 7.615 7.401 0.214 19731 2163 1 2 . 1 1 196 196 ALA N N 196 129.483 129.483 126.044 3.439 19731 2164 1 2 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.220 0.059 19731 2165 1 2 . 1 1 196 196 ALA C C 196 175.619 175.619 177.299 -1.680 19731 2166 1 2 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.076 0.072 19731 2167 1 2 . 1 1 196 196 ALA CB C 196 20.602 20.602 17.622 2.980 19731 2168 1 2 . 1 1 196 196 ALA H H 196 8.324 8.324 8.425 -0.101 19731 2169 1 3 . 1 1 2 2 VAL N N 2 122.420 122.420 117.577 4.843 19731 2170 1 3 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.360 -0.193 19731 2171 1 3 . 1 1 2 2 VAL C C 2 175.919 175.919 175.947 -0.028 19731 2172 1 3 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.463 0.704 19731 2173 1 3 . 1 1 2 2 VAL CB C 2 33.109 33.109 33.298 -0.189 19731 2174 1 3 . 1 1 2 2 VAL H H 2 8.260 8.260 7.799 0.461 19731 2175 1 3 . 1 1 3 3 SER N N 3 119.915 119.915 120.331 -0.416 19731 2176 1 3 . 1 1 3 3 SER HA H 3 4.134 4.134 4.270 -0.136 19731 2177 1 3 . 1 1 3 3 SER C C 3 173.731 173.731 174.378 -0.647 19731 2178 1 3 . 1 1 3 3 SER CA C 3 58.253 58.253 59.871 -1.618 19731 2179 1 3 . 1 1 3 3 SER CB C 3 63.811 63.811 63.484 0.327 19731 2180 1 3 . 1 1 3 3 SER H H 3 8.381 8.381 8.575 -0.194 19731 2181 1 3 . 1 1 4 4 GLN N N 4 123.810 123.810 120.988 2.822 19731 2182 1 3 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.725 -0.256 19731 2183 1 3 . 1 1 4 4 GLN C C 4 174.067 174.067 173.462 0.605 19731 2184 1 3 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.111 0.367 19731 2185 1 3 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.715 -0.321 19731 2186 1 3 . 1 1 4 4 GLN H H 4 8.412 8.412 7.963 0.449 19731 2187 1 3 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.383 -0.037 19731 2188 1 3 . 1 1 5 5 PRO C C 5 176.242 176.242 176.280 -0.038 19731 2189 1 3 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.744 1.584 19731 2190 1 3 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.027 0.520 19731 2191 1 3 . 1 1 6 6 ILE N N 6 114.232 114.232 124.044 -9.812 19731 2192 1 3 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.951 0.220 19731 2193 1 3 . 1 1 6 6 ILE C C 6 175.577 175.577 176.794 -1.217 19731 2194 1 3 . 1 1 6 6 ILE CA C 6 59.036 59.036 61.511 -2.475 19731 2195 1 3 . 1 1 6 6 ILE CB C 6 38.684 38.684 37.695 0.989 19731 2196 1 3 . 1 1 6 6 ILE H H 6 7.745 7.745 8.385 -0.640 19731 2197 1 3 . 1 1 7 7 LYS N N 7 121.791 121.791 127.784 -5.993 19731 2198 1 3 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.115 0.373 19731 2199 1 3 . 1 1 7 7 LYS C C 7 175.898 175.898 176.168 -0.270 19731 2200 1 3 . 1 1 7 7 LYS CA C 7 56.766 56.766 58.395 -1.629 19731 2201 1 3 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.063 3.218 19731 2202 1 3 . 1 1 7 7 LYS H H 7 9.462 9.462 8.027 1.435 19731 2203 1 3 . 1 1 8 8 LEU N N 8 122.642 122.642 115.059 7.583 19731 2204 1 3 . 1 1 8 8 LEU HA H 8 5.187 5.187 4.922 0.265 19731 2205 1 3 . 1 1 8 8 LEU C C 8 171.543 171.543 173.942 -2.399 19731 2206 1 3 . 1 1 8 8 LEU CA C 8 53.219 53.219 54.196 -0.977 19731 2207 1 3 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.857 0.018 19731 2208 1 3 . 1 1 8 8 LEU H H 8 7.532 7.532 7.377 0.155 19731 2209 1 3 . 1 1 9 9 LEU N N 9 128.904 128.904 121.952 6.952 19731 2210 1 3 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.513 0.038 19731 2211 1 3 . 1 1 9 9 LEU C C 9 173.410 173.410 174.542 -1.132 19731 2212 1 3 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.278 0.785 19731 2213 1 3 . 1 1 9 9 LEU CB C 9 45.563 45.563 43.549 2.014 19731 2214 1 3 . 1 1 9 9 LEU H H 9 8.900 8.900 9.107 -0.207 19731 2215 1 3 . 1 1 10 10 VAL N N 10 126.431 126.431 122.429 4.002 19731 2216 1 3 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.122 0.222 19731 2217 1 3 . 1 1 10 10 VAL C C 10 174.353 174.353 175.607 -1.254 19731 2218 1 3 . 1 1 10 10 VAL CA C 10 58.880 58.880 60.862 -1.982 19731 2219 1 3 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.630 1.620 19731 2220 1 3 . 1 1 10 10 VAL H H 10 9.246 9.246 9.233 0.013 19731 2221 1 3 . 1 1 11 11 GLY N N 11 115.421 115.421 114.394 1.027 19731 2222 1 3 . 1 1 11 11 GLY C C 11 170.943 170.943 172.606 -1.663 19731 2223 1 3 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.520 1.652 19731 2224 1 3 . 1 1 11 11 GLY H H 11 8.738 8.738 9.038 -0.300 19731 2225 1 3 . 1 1 12 12 LEU N N 12 119.415 119.415 125.038 -5.623 19731 2226 1 3 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.643 -0.427 19731 2227 1 3 . 1 1 12 12 LEU C C 12 176.498 176.498 175.033 1.465 19731 2228 1 3 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.039 1.710 19731 2229 1 3 . 1 1 12 12 LEU CB C 12 40.328 40.328 41.996 -1.668 19731 2230 1 3 . 1 1 12 12 LEU H H 12 7.423 7.423 8.388 -0.965 19731 2231 1 3 . 1 1 13 13 ALA N N 13 121.608 121.608 125.538 -3.930 19731 2232 1 3 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.184 0.184 19731 2233 1 3 . 1 1 13 13 ALA C C 13 177.463 177.463 175.666 1.797 19731 2234 1 3 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.433 2.341 19731 2235 1 3 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.764 3.877 19731 2236 1 3 . 1 1 13 13 ALA H H 13 8.627 8.627 8.087 0.540 19731 2237 1 3 . 1 1 14 14 ASN N N 14 116.827 116.827 118.061 -1.234 19731 2238 1 3 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.731 -0.327 19731 2239 1 3 . 1 1 14 14 ASN C C 14 173.431 173.431 174.185 -0.754 19731 2240 1 3 . 1 1 14 14 ASN CA C 14 51.052 51.052 51.007 0.045 19731 2241 1 3 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.610 1.874 19731 2242 1 3 . 1 1 14 14 ASN H H 14 8.896 8.896 8.073 0.823 19731 2243 1 3 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.192 0.165 19731 2244 1 3 . 1 1 17 17 PRO C C 17 179.073 179.073 178.129 0.944 19731 2245 1 3 . 1 1 17 17 PRO CA C 17 65.172 65.172 65.073 0.099 19731 2246 1 3 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.264 -0.390 19731 2247 1 3 . 1 1 18 18 GLU N N 18 118.514 118.514 115.087 3.427 19731 2248 1 3 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.123 -0.069 19731 2249 1 3 . 1 1 18 18 GLU C C 18 177.807 177.807 177.500 0.307 19731 2250 1 3 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.077 0.724 19731 2251 1 3 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.572 -0.143 19731 2252 1 3 . 1 1 18 18 GLU H H 18 9.729 9.729 8.770 0.959 19731 2253 1 3 . 1 1 19 19 TYR N N 19 115.421 115.421 117.690 -2.269 19731 2254 1 3 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.790 -1.363 19731 2255 1 3 . 1 1 19 19 TYR C C 19 177.549 177.549 177.454 0.095 19731 2256 1 3 . 1 1 19 19 TYR CA C 19 58.332 58.332 58.375 -0.043 19731 2257 1 3 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.812 0.889 19731 2258 1 3 . 1 1 19 19 TYR H H 19 7.268 7.268 7.584 -0.316 19731 2259 1 3 . 1 1 20 20 ALA N N 20 123.858 123.858 123.110 0.748 19731 2260 1 3 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.207 0.222 19731 2261 1 3 . 1 1 20 20 ALA C C 20 178.365 178.365 177.752 0.613 19731 2262 1 3 . 1 1 20 20 ALA CA C 20 55.983 55.983 54.644 1.339 19731 2263 1 3 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.745 0.996 19731 2264 1 3 . 1 1 20 20 ALA H H 20 7.245 7.245 7.613 -0.368 19731 2265 1 3 . 1 1 21 21 LYS N N 21 114.577 114.577 113.356 1.221 19731 2266 1 3 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.253 0.530 19731 2267 1 3 . 1 1 21 21 LYS C C 21 176.541 176.541 176.444 0.097 19731 2268 1 3 . 1 1 21 21 LYS CA C 21 54.414 54.414 57.043 -2.629 19731 2269 1 3 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.008 0.101 19731 2270 1 3 . 1 1 21 21 LYS H H 21 8.894 8.894 8.070 0.824 19731 2271 1 3 . 1 1 22 22 THR N N 22 111.202 111.202 115.950 -4.748 19731 2272 1 3 . 1 1 22 22 THR HA H 22 4.495 4.495 4.368 0.127 19731 2273 1 3 . 1 1 22 22 THR C C 22 175.277 175.277 175.137 0.140 19731 2274 1 3 . 1 1 22 22 THR CA C 22 61.306 61.306 62.603 -1.297 19731 2275 1 3 . 1 1 22 22 THR CB C 22 72.109 72.109 70.303 1.806 19731 2276 1 3 . 1 1 22 22 THR H H 22 7.927 7.927 7.746 0.181 19731 2277 1 3 . 1 1 23 23 ARG N N 23 119.639 119.639 122.587 -2.948 19731 2278 1 3 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.030 0.478 19731 2279 1 3 . 1 1 23 23 ARG C C 23 177.142 177.142 178.562 -1.420 19731 2280 1 3 . 1 1 23 23 ARG CA C 23 60.993 60.993 58.762 2.231 19731 2281 1 3 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.343 1.531 19731 2282 1 3 . 1 1 23 23 ARG H H 23 8.245 8.245 8.753 -0.508 19731 2283 1 3 . 1 1 24 24 HIS N N 24 115.140 115.140 115.604 -0.464 19731 2284 1 3 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.669 -0.741 19731 2285 1 3 . 1 1 24 24 HIS C C 24 173.109 173.109 174.679 -1.570 19731 2286 1 3 . 1 1 24 24 HIS CA C 24 53.870 53.870 54.710 -0.840 19731 2287 1 3 . 1 1 24 24 HIS CB C 24 29.003 29.003 27.975 1.028 19731 2288 1 3 . 1 1 24 24 HIS H H 24 8.245 8.245 8.501 -0.256 19731 2289 1 3 . 1 1 25 25 ASN N N 25 115.140 115.140 118.982 -3.842 19731 2290 1 3 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.517 0.244 19731 2291 1 3 . 1 1 25 25 ASN C C 25 175.234 175.234 176.774 -1.540 19731 2292 1 3 . 1 1 25 25 ASN CA C 25 52.148 52.148 55.516 -3.368 19731 2293 1 3 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.651 -0.437 19731 2294 1 3 . 1 1 25 25 ASN H H 25 7.661 7.661 8.200 -0.539 19731 2295 1 3 . 1 1 26 26 ALA N N 26 120.764 120.764 123.308 -2.544 19731 2296 1 3 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.931 0.826 19731 2297 1 3 . 1 1 26 26 ALA C C 26 178.428 178.428 178.849 -0.421 19731 2298 1 3 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.194 -0.698 19731 2299 1 3 . 1 1 26 26 ALA CB C 26 18.410 18.410 17.981 0.429 19731 2300 1 3 . 1 1 26 26 ALA H H 26 7.148 7.148 7.658 -0.510 19731 2301 1 3 . 1 1 27 27 GLY N N 27 100.254 100.254 105.400 -5.146 19731 2302 1 3 . 1 1 27 27 GLY C C 27 176.520 176.520 175.753 0.767 19731 2303 1 3 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.601 0.380 19731 2304 1 3 . 1 1 27 27 GLY H H 27 8.957 8.957 7.885 1.072 19731 2305 1 3 . 1 1 28 28 ALA N N 28 123.296 123.296 123.696 -0.400 19731 2306 1 3 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.251 -0.061 19731 2307 1 3 . 1 1 28 28 ALA C C 28 179.373 179.373 178.364 1.009 19731 2308 1 3 . 1 1 28 28 ALA CA C 28 55.592 55.592 54.129 1.463 19731 2309 1 3 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.719 -0.387 19731 2310 1 3 . 1 1 28 28 ALA H H 28 7.090 7.090 8.014 -0.924 19731 2311 1 3 . 1 1 29 29 TRP N N 29 117.952 117.952 120.686 -2.734 19731 2312 1 3 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.364 0.353 19731 2313 1 3 . 1 1 29 29 TRP C C 29 179.973 179.973 178.252 1.721 19731 2314 1 3 . 1 1 29 29 TRP CA C 29 57.862 57.862 61.067 -3.205 19731 2315 1 3 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.230 -1.174 19731 2316 1 3 . 1 1 29 29 TRP H H 29 7.649 7.649 7.868 -0.219 19731 2317 1 3 . 1 1 30 30 VAL N N 30 116.082 116.082 115.492 0.590 19731 2318 1 3 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.875 -0.319 19731 2319 1 3 . 1 1 30 30 VAL C C 30 176.542 176.542 177.649 -1.107 19731 2320 1 3 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.687 0.473 19731 2321 1 3 . 1 1 30 30 VAL CB C 30 32.030 32.030 30.791 1.239 19731 2322 1 3 . 1 1 30 30 VAL H H 30 7.263 7.263 7.735 -0.472 19731 2323 1 3 . 1 1 31 31 VAL N N 31 118.514 118.514 121.171 -2.657 19731 2324 1 3 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.594 -0.334 19731 2325 1 3 . 1 1 31 31 VAL C C 31 177.142 177.142 177.977 -0.835 19731 2326 1 3 . 1 1 31 31 VAL CA C 31 67.647 67.647 67.663 -0.016 19731 2327 1 3 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.534 0.105 19731 2328 1 3 . 1 1 31 31 VAL H H 31 6.912 6.912 7.265 -0.353 19731 2329 1 3 . 1 1 32 32 GLU N N 32 117.882 117.882 118.424 -0.542 19731 2330 1 3 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.908 -0.117 19731 2331 1 3 . 1 1 32 32 GLU C C 32 179.715 179.715 178.222 1.493 19731 2332 1 3 . 1 1 32 32 GLU CA C 32 60.054 60.054 58.812 1.242 19731 2333 1 3 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.486 0.587 19731 2334 1 3 . 1 1 32 32 GLU H H 32 9.069 9.069 8.128 0.941 19731 2335 1 3 . 1 1 33 33 GLU N N 33 120.202 120.202 120.904 -0.702 19731 2336 1 3 . 1 1 33 33 GLU HA H 33 4.504 4.504 4.009 0.495 19731 2337 1 3 . 1 1 33 33 GLU C C 33 177.807 177.807 178.908 -1.101 19731 2338 1 3 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.958 -0.470 19731 2339 1 3 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.132 -0.155 19731 2340 1 3 . 1 1 33 33 GLU H H 33 7.967 7.967 7.486 0.481 19731 2341 1 3 . 1 1 34 34 LEU N N 34 121.046 121.046 119.222 1.824 19731 2342 1 3 . 1 1 34 34 LEU HA H 34 4.023 4.023 4.062 -0.039 19731 2343 1 3 . 1 1 34 34 LEU C C 34 178.429 178.429 178.905 -0.476 19731 2344 1 3 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.587 0.835 19731 2345 1 3 . 1 1 34 34 LEU CB C 34 42.441 42.441 40.841 1.600 19731 2346 1 3 . 1 1 34 34 LEU H H 34 8.297 8.297 7.509 0.788 19731 2347 1 3 . 1 1 35 35 ALA N N 35 118.233 118.233 121.223 -2.990 19731 2348 1 3 . 1 1 35 35 ALA HA H 35 3.867 3.867 4.079 -0.212 19731 2349 1 3 . 1 1 35 35 ALA C C 35 178.729 178.729 179.354 -0.625 19731 2350 1 3 . 1 1 35 35 ALA CA C 35 55.670 55.670 54.810 0.860 19731 2351 1 3 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.471 -1.314 19731 2352 1 3 . 1 1 35 35 ALA H H 35 8.450 8.450 7.371 1.079 19731 2353 1 3 . 1 1 36 36 ARG N N 36 118.796 118.796 117.234 1.562 19731 2354 1 3 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.095 -0.055 19731 2355 1 3 . 1 1 36 36 ARG C C 36 181.217 181.217 177.948 3.269 19731 2356 1 3 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.768 1.051 19731 2357 1 3 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.256 0.287 19731 2358 1 3 . 1 1 36 36 ARG H H 36 8.063 8.063 7.475 0.588 19731 2359 1 3 . 1 1 37 37 ILE N N 37 119.077 119.077 117.922 1.155 19731 2360 1 3 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.924 -0.173 19731 2361 1 3 . 1 1 37 37 ILE C C 37 177.443 177.443 177.480 -0.037 19731 2362 1 3 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.427 0.932 19731 2363 1 3 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.966 0.248 19731 2364 1 3 . 1 1 37 37 ILE H H 37 8.420 8.420 7.590 0.830 19731 2365 1 3 . 1 1 38 38 HIS N N 38 116.546 116.546 115.441 1.105 19731 2366 1 3 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.609 -0.210 19731 2367 1 3 . 1 1 38 38 HIS C C 38 173.452 173.452 174.753 -1.301 19731 2368 1 3 . 1 1 38 38 HIS CA C 38 57.236 57.236 55.801 1.435 19731 2369 1 3 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.920 -1.221 19731 2370 1 3 . 1 1 38 38 HIS H H 38 7.635 7.635 7.678 -0.043 19731 2371 1 3 . 1 1 39 39 ASN N N 39 117.108 117.108 117.555 -0.447 19731 2372 1 3 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.431 -0.079 19731 2373 1 3 . 1 1 39 39 ASN C C 39 174.310 174.310 173.825 0.485 19731 2374 1 3 . 1 1 39 39 ASN CA C 39 54.653 54.653 54.235 0.418 19731 2375 1 3 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.010 0.343 19731 2376 1 3 . 1 1 39 39 ASN H H 39 7.942 7.942 8.018 -0.076 19731 2377 1 3 . 1 1 40 40 VAL N N 40 119.921 119.921 118.501 1.420 19731 2378 1 3 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.062 0.154 19731 2379 1 3 . 1 1 40 40 VAL C C 40 175.361 175.361 175.818 -0.457 19731 2380 1 3 . 1 1 40 40 VAL CA C 40 61.776 61.776 62.570 -0.794 19731 2381 1 3 . 1 1 40 40 VAL CB C 40 34.222 34.222 32.730 1.492 19731 2382 1 3 . 1 1 40 40 VAL H H 40 8.578 8.578 7.512 1.066 19731 2383 1 3 . 1 1 41 41 THR N N 41 123.878 123.878 122.326 1.552 19731 2384 1 3 . 1 1 41 41 THR HA H 41 4.231 4.231 4.277 -0.046 19731 2385 1 3 . 1 1 41 41 THR C C 41 174.033 174.033 173.842 0.191 19731 2386 1 3 . 1 1 41 41 THR CA C 41 61.776 61.776 62.180 -0.404 19731 2387 1 3 . 1 1 41 41 THR CB C 41 69.525 69.525 69.050 0.475 19731 2388 1 3 . 1 1 41 41 THR H H 41 8.617 8.617 8.385 0.232 19731 2389 1 3 . 1 1 42 42 LEU N N 42 128.639 128.639 128.555 0.084 19731 2390 1 3 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.247 0.090 19731 2391 1 3 . 1 1 42 42 LEU C C 42 175.919 175.919 176.702 -0.783 19731 2392 1 3 . 1 1 42 42 LEU CA C 42 54.809 54.809 55.272 -0.463 19731 2393 1 3 . 1 1 42 42 LEU CB C 42 41.893 41.893 41.212 0.680 19731 2394 1 3 . 1 1 42 42 LEU H H 42 8.783 8.783 8.679 0.104 19731 2395 1 3 . 1 1 43 43 LYS N N 43 122.452 122.452 125.336 -2.884 19731 2396 1 3 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.598 -0.009 19731 2397 1 3 . 1 1 43 43 LYS C C 43 175.619 175.619 175.492 0.127 19731 2398 1 3 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.888 -0.392 19731 2399 1 3 . 1 1 43 43 LYS CB C 43 35.944 35.944 34.489 1.455 19731 2400 1 3 . 1 1 43 43 LYS H H 43 8.738 8.738 9.019 -0.281 19731 2401 1 3 . 1 1 44 44 ASN N N 44 123.014 123.014 124.167 -1.153 19731 2402 1 3 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.844 -0.264 19731 2403 1 3 . 1 1 44 44 ASN C C 44 174.718 174.718 175.190 -0.472 19731 2404 1 3 . 1 1 44 44 ASN CA C 44 54.484 54.484 52.953 1.531 19731 2405 1 3 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.492 0.348 19731 2406 1 3 . 1 1 44 44 ASN H H 44 8.906 8.906 8.838 0.068 19731 2407 1 3 . 1 1 45 45 GLU N N 45 128.921 128.921 124.014 4.907 19731 2408 1 3 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.750 -0.376 19731 2409 1 3 . 1 1 45 45 GLU C C 45 173.731 173.731 175.159 -1.428 19731 2410 1 3 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.888 0.356 19731 2411 1 3 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.351 1.288 19731 2412 1 3 . 1 1 45 45 GLU H H 45 8.675 8.675 8.904 -0.229 19731 2413 1 3 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.120 -0.132 19731 2414 1 3 . 1 1 46 46 PRO C C 46 175.298 175.298 176.669 -1.371 19731 2415 1 3 . 1 1 46 46 PRO CA C 46 64.985 64.985 63.837 1.148 19731 2416 1 3 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.611 0.418 19731 2417 1 3 . 1 1 47 47 LYS N N 47 115.793 115.793 117.193 -1.400 19731 2418 1 3 . 1 1 47 47 LYS HA H 47 3.518 3.518 4.139 -0.621 19731 2419 1 3 . 1 1 47 47 LYS C C 47 174.998 174.998 177.782 -2.784 19731 2420 1 3 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.197 -0.335 19731 2421 1 3 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.803 -1.242 19731 2422 1 3 . 1 1 47 47 LYS H H 47 8.239 8.239 7.971 0.268 19731 2423 1 3 . 1 1 48 48 PHE N N 48 114.577 114.577 115.112 -0.535 19731 2424 1 3 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.743 0.147 19731 2425 1 3 . 1 1 48 48 PHE C C 48 172.810 172.810 175.958 -3.148 19731 2426 1 3 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.219 -2.349 19731 2427 1 3 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.846 -0.145 19731 2428 1 3 . 1 1 48 48 PHE H H 48 7.398 7.398 7.046 0.352 19731 2429 1 3 . 1 1 49 49 PHE N N 49 110.358 110.358 119.980 -9.622 19731 2430 1 3 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.201 -0.349 19731 2431 1 3 . 1 1 49 49 PHE C C 49 175.298 175.298 173.676 1.622 19731 2432 1 3 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.514 -0.495 19731 2433 1 3 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.502 -1.071 19731 2434 1 3 . 1 1 49 49 PHE H H 49 6.923 6.923 8.500 -1.577 19731 2435 1 3 . 1 1 50 50 GLY N N 50 136.915 136.915 106.614 30.301 19731 2436 1 3 . 1 1 50 50 GLY C C 50 170.643 170.643 171.707 -1.064 19731 2437 1 3 . 1 1 50 50 GLY CA C 50 47.138 47.138 44.940 2.198 19731 2438 1 3 . 1 1 50 50 GLY H H 50 6.836 6.836 7.890 -1.054 19731 2439 1 3 . 1 1 51 51 LEU N N 51 119.282 119.282 123.021 -3.739 19731 2440 1 3 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.895 -0.058 19731 2441 1 3 . 1 1 51 51 LEU C C 51 177.164 177.164 175.999 1.165 19731 2442 1 3 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.184 -1.097 19731 2443 1 3 . 1 1 51 51 LEU CB C 51 44.163 44.163 43.160 1.003 19731 2444 1 3 . 1 1 51 51 LEU H H 51 8.692 8.692 8.806 -0.114 19731 2445 1 3 . 1 1 52 52 THR N N 52 112.608 112.608 118.814 -6.206 19731 2446 1 3 . 1 1 52 52 THR HA H 52 5.529 5.529 5.815 -0.286 19731 2447 1 3 . 1 1 52 52 THR C C 52 173.732 173.732 174.168 -0.436 19731 2448 1 3 . 1 1 52 52 THR CA C 52 59.036 59.036 59.402 -0.366 19731 2449 1 3 . 1 1 52 52 THR CB C 52 72.578 72.578 72.008 0.570 19731 2450 1 3 . 1 1 52 52 THR H H 52 9.230 9.230 9.267 -0.037 19731 2451 1 3 . 1 1 53 53 GLY N N 53 105.858 105.858 109.581 -3.723 19731 2452 1 3 . 1 1 53 53 GLY C C 53 171.545 171.545 171.772 -0.227 19731 2453 1 3 . 1 1 53 53 GLY CA C 53 45.024 45.024 45.097 -0.073 19731 2454 1 3 . 1 1 53 53 GLY H H 53 7.881 7.881 8.727 -0.846 19731 2455 1 3 . 1 1 54 54 ARG N N 54 122.128 122.128 124.597 -2.469 19731 2456 1 3 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.357 0.504 19731 2457 1 3 . 1 1 54 54 ARG C C 54 172.767 172.767 174.485 -1.718 19731 2458 1 3 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.890 -0.141 19731 2459 1 3 . 1 1 54 54 ARG CB C 54 32.813 32.813 30.638 2.175 19731 2460 1 3 . 1 1 54 54 ARG H H 54 8.627 8.627 8.646 -0.019 19731 2461 1 3 . 1 1 55 55 LEU N N 55 125.264 125.264 128.240 -2.976 19731 2462 1 3 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.614 -0.030 19731 2463 1 3 . 1 1 55 55 LEU C C 55 174.011 174.011 175.467 -1.456 19731 2464 1 3 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.028 1.077 19731 2465 1 3 . 1 1 55 55 LEU CB C 55 44.242 44.242 42.175 2.067 19731 2466 1 3 . 1 1 55 55 LEU H H 55 8.968 8.968 9.015 -0.047 19731 2467 1 3 . 1 1 56 56 LEU N N 56 123.577 123.577 129.488 -5.911 19731 2468 1 3 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.876 0.144 19731 2469 1 3 . 1 1 56 56 LEU C C 56 176.263 176.263 176.198 0.065 19731 2470 1 3 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.325 -0.637 19731 2471 1 3 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.921 0.773 19731 2472 1 3 . 1 1 56 56 LEU H H 56 8.405 8.405 8.529 -0.124 19731 2473 1 3 . 1 1 57 57 ILE N N 57 123.748 123.748 119.079 4.669 19731 2474 1 3 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.574 -0.364 19731 2475 1 3 . 1 1 57 57 ILE C C 57 175.655 175.655 175.216 0.439 19731 2476 1 3 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.145 0.987 19731 2477 1 3 . 1 1 57 57 ILE CB C 57 40.484 40.484 41.600 -1.116 19731 2478 1 3 . 1 1 57 57 ILE H H 57 8.617 8.617 8.490 0.127 19731 2479 1 3 . 1 1 58 58 ASN N N 58 127.486 127.486 121.881 5.605 19731 2480 1 3 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.274 0.048 19731 2481 1 3 . 1 1 58 58 ASN C C 58 174.976 174.976 175.072 -0.096 19731 2482 1 3 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.661 -0.895 19731 2483 1 3 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.748 -0.003 19731 2484 1 3 . 1 1 58 58 ASN H H 58 9.489 9.489 8.997 0.492 19731 2485 1 3 . 1 1 59 59 SER N N 59 106.702 106.702 115.871 -9.169 19731 2486 1 3 . 1 1 59 59 SER HA H 59 3.833 3.833 4.574 -0.741 19731 2487 1 3 . 1 1 59 59 SER C C 59 172.510 172.510 172.424 0.086 19731 2488 1 3 . 1 1 59 59 SER CA C 59 60.445 60.445 58.429 2.016 19731 2489 1 3 . 1 1 59 59 SER CB C 59 62.246 62.246 65.310 -3.064 19731 2490 1 3 . 1 1 59 59 SER H H 59 8.664 8.664 8.318 0.346 19731 2491 1 3 . 1 1 60 60 GLN N N 60 120.764 120.764 121.322 -0.558 19731 2492 1 3 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.634 -0.144 19731 2493 1 3 . 1 1 60 60 GLN C C 60 174.310 174.310 173.409 0.901 19731 2494 1 3 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.263 -0.080 19731 2495 1 3 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.535 -1.367 19731 2496 1 3 . 1 1 60 60 GLN H H 60 7.925 7.925 8.133 -0.208 19731 2497 1 3 . 1 1 61 61 GLU N N 61 122.452 122.452 123.864 -1.412 19731 2498 1 3 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.339 0.287 19731 2499 1 3 . 1 1 61 61 GLU C C 61 174.932 174.932 175.076 -0.144 19731 2500 1 3 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.562 0.265 19731 2501 1 3 . 1 1 61 61 GLU CB C 61 31.639 31.639 30.157 1.482 19731 2502 1 3 . 1 1 61 61 GLU H H 61 8.613 8.613 8.643 -0.030 19731 2503 1 3 . 1 1 62 62 LEU N N 62 129.483 129.483 125.833 3.650 19731 2504 1 3 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.678 -0.195 19731 2505 1 3 . 1 1 62 62 LEU C C 62 175.276 175.276 175.660 -0.384 19731 2506 1 3 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.441 0.272 19731 2507 1 3 . 1 1 62 62 LEU CB C 62 45.416 45.416 44.335 1.081 19731 2508 1 3 . 1 1 62 62 LEU H H 62 9.131 9.131 9.027 0.104 19731 2509 1 3 . 1 1 63 63 ARG N N 63 125.546 125.546 125.701 -0.155 19731 2510 1 3 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.202 -0.318 19731 2511 1 3 . 1 1 63 63 ARG C C 63 174.998 174.998 174.713 0.285 19731 2512 1 3 . 1 1 63 63 ARG CA C 63 55.983 55.983 55.337 0.646 19731 2513 1 3 . 1 1 63 63 ARG CB C 63 31.013 31.013 31.752 -0.739 19731 2514 1 3 . 1 1 63 63 ARG H H 63 7.802 7.802 8.301 -0.499 19731 2515 1 3 . 1 1 64 64 VAL N N 64 112.608 112.608 122.033 -9.425 19731 2516 1 3 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.340 0.500 19731 2517 1 3 . 1 1 64 64 VAL C C 64 174.353 174.353 173.597 0.756 19731 2518 1 3 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.075 -1.291 19731 2519 1 3 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.880 -0.953 19731 2520 1 3 . 1 1 64 64 VAL H H 64 8.199 8.199 8.828 -0.629 19731 2521 1 3 . 1 1 65 65 LEU N N 65 122.279 122.279 129.427 -7.148 19731 2522 1 3 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.621 -0.095 19731 2523 1 3 . 1 1 65 65 LEU C C 65 174.353 174.353 174.317 0.036 19731 2524 1 3 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.202 0.355 19731 2525 1 3 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.193 1.494 19731 2526 1 3 . 1 1 65 65 LEU H H 65 8.163 8.163 8.892 -0.729 19731 2527 1 3 . 1 1 66 66 ILE N N 66 126.952 126.952 124.443 2.509 19731 2528 1 3 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.135 -0.013 19731 2529 1 3 . 1 1 66 66 ILE C C 66 173.817 173.817 173.280 0.537 19731 2530 1 3 . 1 1 66 66 ILE CA C 66 58.567 58.567 57.398 1.169 19731 2531 1 3 . 1 1 66 66 ILE CB C 66 41.815 41.815 42.476 -0.661 19731 2532 1 3 . 1 1 66 66 ILE H H 66 9.131 9.131 8.577 0.554 19731 2533 1 3 . 1 1 67 67 PRO HA H 67 4.508 4.508 5.101 -0.593 19731 2534 1 3 . 1 1 67 67 PRO C C 67 177.786 177.786 177.425 0.361 19731 2535 1 3 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.194 1.010 19731 2536 1 3 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.522 0.587 19731 2537 1 3 . 1 1 68 68 THR N N 68 115.421 115.421 112.652 2.769 19731 2538 1 3 . 1 1 68 68 THR HA H 68 4.370 4.370 4.200 0.170 19731 2539 1 3 . 1 1 68 68 THR C C 68 174.054 174.054 175.652 -1.598 19731 2540 1 3 . 1 1 68 68 THR CA C 68 60.445 60.445 64.430 -3.985 19731 2541 1 3 . 1 1 68 68 THR CB C 68 67.177 67.177 68.886 -1.709 19731 2542 1 3 . 1 1 68 68 THR H H 68 9.645 9.645 8.090 1.555 19731 2543 1 3 . 1 1 69 69 THR N N 69 110.954 110.954 119.807 -8.853 19731 2544 1 3 . 1 1 69 69 THR HA H 69 4.065 4.065 4.266 -0.201 19731 2545 1 3 . 1 1 69 69 THR C C 69 177.184 177.184 174.369 2.815 19731 2546 1 3 . 1 1 69 69 THR CA C 69 62.011 62.011 61.526 0.485 19731 2547 1 3 . 1 1 69 69 THR CB C 69 71.013 71.013 68.464 2.549 19731 2548 1 3 . 1 1 69 69 THR H H 69 7.063 7.063 7.812 -0.749 19731 2549 1 3 . 1 1 70 70 PHE N N 70 111.483 111.483 123.994 -12.511 19731 2550 1 3 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.589 -0.333 19731 2551 1 3 . 1 1 70 70 PHE C C 70 179.029 179.029 176.028 3.001 19731 2552 1 3 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.838 3.721 19731 2553 1 3 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.616 -0.245 19731 2554 1 3 . 1 1 70 70 PHE H H 70 8.033 8.033 8.358 -0.325 19731 2555 1 3 . 1 1 71 71 MET N N 71 121.809 121.809 119.895 1.914 19731 2556 1 3 . 1 1 71 71 MET HA H 71 4.055 4.055 4.297 -0.242 19731 2557 1 3 . 1 1 71 71 MET C C 71 179.372 179.372 176.844 2.528 19731 2558 1 3 . 1 1 71 71 MET CA C 71 58.488 58.488 57.483 1.005 19731 2559 1 3 . 1 1 71 71 MET CB C 71 31.036 31.036 32.820 -1.784 19731 2560 1 3 . 1 1 71 71 MET H H 71 8.671 8.671 7.735 0.936 19731 2561 1 3 . 1 1 72 72 ASN N N 72 115.648 115.648 116.718 -1.070 19731 2562 1 3 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.586 -0.429 19731 2563 1 3 . 1 1 72 72 ASN C C 72 173.454 173.454 177.834 -4.380 19731 2564 1 3 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.418 -0.609 19731 2565 1 3 . 1 1 72 72 ASN CB C 72 36.805 36.805 39.013 -2.208 19731 2566 1 3 . 1 1 72 72 ASN H H 72 8.817 8.817 8.022 0.795 19731 2567 1 3 . 1 1 73 73 LEU N N 73 119.077 119.077 120.385 -1.308 19731 2568 1 3 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.344 0.629 19731 2569 1 3 . 1 1 73 73 LEU C C 73 177.485 177.485 178.305 -0.820 19731 2570 1 3 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.923 -2.053 19731 2571 1 3 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.374 2.163 19731 2572 1 3 . 1 1 73 73 LEU H H 73 7.362 7.362 7.822 -0.460 19731 2573 1 3 . 1 1 74 74 SER N N 74 114.067 114.067 117.150 -3.083 19731 2574 1 3 . 1 1 74 74 SER HA H 74 4.084 4.084 4.045 0.039 19731 2575 1 3 . 1 1 74 74 SER C C 74 175.640 175.640 176.543 -0.903 19731 2576 1 3 . 1 1 74 74 SER CA C 74 63.498 63.498 62.242 1.256 19731 2577 1 3 . 1 1 74 74 SER CB C 74 66.081 66.081 62.648 3.433 19731 2578 1 3 . 1 1 74 74 SER H H 74 7.499 7.499 7.952 -0.453 19731 2579 1 3 . 1 1 75 75 GLY N N 75 107.827 107.827 107.023 0.804 19731 2580 1 3 . 1 1 75 75 GLY C C 75 174.954 174.954 175.159 -0.205 19731 2581 1 3 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.188 1.811 19731 2582 1 3 . 1 1 75 75 GLY H H 75 10.017 10.017 8.349 1.668 19731 2583 1 3 . 1 1 76 76 LYS N N 76 120.250 120.250 121.909 -1.659 19731 2584 1 3 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.973 0.000 19731 2585 1 3 . 1 1 76 76 LYS C C 76 179.051 179.051 178.359 0.692 19731 2586 1 3 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.323 -0.052 19731 2587 1 3 . 1 1 76 76 LYS CB C 76 32.813 32.813 31.915 0.898 19731 2588 1 3 . 1 1 76 76 LYS H H 76 7.975 7.975 7.914 0.061 19731 2589 1 3 . 1 1 77 77 ALA N N 77 121.046 121.046 122.505 -1.459 19731 2590 1 3 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.354 0.084 19731 2591 1 3 . 1 1 77 77 ALA C C 77 177.463 177.463 179.461 -1.998 19731 2592 1 3 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.067 -0.101 19731 2593 1 3 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.480 2.278 19731 2594 1 3 . 1 1 77 77 ALA H H 77 6.824 6.824 8.203 -1.379 19731 2595 1 3 . 1 1 78 78 ILE N N 78 115.422 115.422 118.748 -3.326 19731 2596 1 3 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.482 -0.360 19731 2597 1 3 . 1 1 78 78 ILE C C 78 177.163 177.163 177.585 -0.422 19731 2598 1 3 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.719 1.127 19731 2599 1 3 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.504 1.650 19731 2600 1 3 . 1 1 78 78 ILE H H 78 7.124 7.124 7.280 -0.156 19731 2601 1 3 . 1 1 79 79 ALA N N 79 117.952 117.952 122.855 -4.903 19731 2602 1 3 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.756 0.180 19731 2603 1 3 . 1 1 79 79 ALA C C 79 179.329 179.329 179.060 0.269 19731 2604 1 3 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.172 -0.128 19731 2605 1 3 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.995 0.414 19731 2606 1 3 . 1 1 79 79 ALA H H 79 8.644 8.644 8.325 0.319 19731 2607 1 3 . 1 1 80 80 ALA N N 80 118.796 118.796 120.958 -2.162 19731 2608 1 3 . 1 1 80 80 ALA HA H 80 4.307 4.307 3.513 0.794 19731 2609 1 3 . 1 1 80 80 ALA C C 80 180.616 180.616 178.650 1.966 19731 2610 1 3 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.399 1.193 19731 2611 1 3 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.250 0.473 19731 2612 1 3 . 1 1 80 80 ALA H H 80 7.442 7.442 7.803 -0.361 19731 2613 1 3 . 1 1 81 81 LEU N N 81 119.878 119.878 120.145 -0.267 19731 2614 1 3 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.223 0.381 19731 2615 1 3 . 1 1 81 81 LEU C C 81 178.750 178.750 178.381 0.369 19731 2616 1 3 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.605 1.666 19731 2617 1 3 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.231 1.367 19731 2618 1 3 . 1 1 81 81 LEU H H 81 7.953 7.953 7.767 0.186 19731 2619 1 3 . 1 1 82 82 ALA N N 82 120.764 120.764 119.279 1.485 19731 2620 1 3 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.865 0.018 19731 2621 1 3 . 1 1 82 82 ALA C C 82 180.273 180.273 179.125 1.148 19731 2622 1 3 . 1 1 82 82 ALA CA C 82 56.140 56.140 55.253 0.887 19731 2623 1 3 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.110 -0.874 19731 2624 1 3 . 1 1 82 82 ALA H H 82 8.906 8.906 8.005 0.901 19731 2625 1 3 . 1 1 83 83 ASN N N 83 113.733 113.733 117.043 -3.310 19731 2626 1 3 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.432 0.094 19731 2627 1 3 . 1 1 83 83 ASN C C 83 178.085 178.085 177.696 0.389 19731 2628 1 3 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.258 -0.431 19731 2629 1 3 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.493 -0.122 19731 2630 1 3 . 1 1 83 83 ASN H H 83 8.644 8.644 7.527 1.117 19731 2631 1 3 . 1 1 84 84 PHE N N 84 121.327 121.327 118.840 2.487 19731 2632 1 3 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.310 -0.249 19731 2633 1 3 . 1 1 84 84 PHE C C 84 177.164 177.164 177.976 -0.812 19731 2634 1 3 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.145 1.944 19731 2635 1 3 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.030 2.376 19731 2636 1 3 . 1 1 84 84 PHE H H 84 7.621 7.621 7.641 -0.020 19731 2637 1 3 . 1 1 85 85 TYR N N 85 112.890 112.890 115.384 -2.494 19731 2638 1 3 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.369 0.138 19731 2639 1 3 . 1 1 85 85 TYR C C 85 173.732 173.732 175.847 -2.115 19731 2640 1 3 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.950 -0.757 19731 2641 1 3 . 1 1 85 85 TYR CB C 85 38.919 38.919 38.303 0.616 19731 2642 1 3 . 1 1 85 85 TYR H H 85 7.578 7.578 7.608 -0.030 19731 2643 1 3 . 1 1 86 86 GLN N N 86 117.671 117.671 112.544 5.127 19731 2644 1 3 . 1 1 86 86 GLN HA H 86 3.943 3.943 4.025 -0.082 19731 2645 1 3 . 1 1 86 86 GLN C C 86 174.675 174.675 174.667 0.008 19731 2646 1 3 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.991 0.245 19731 2647 1 3 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.175 -0.329 19731 2648 1 3 . 1 1 86 86 GLN H H 86 7.691 7.691 7.842 -0.151 19731 2649 1 3 . 1 1 87 87 ILE N N 87 122.171 122.171 118.485 3.686 19731 2650 1 3 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.182 -0.185 19731 2651 1 3 . 1 1 87 87 ILE C C 87 175.597 175.597 175.295 0.302 19731 2652 1 3 . 1 1 87 87 ILE CA C 87 61.619 61.619 60.290 1.329 19731 2653 1 3 . 1 1 87 87 ILE CB C 87 40.484 40.484 38.814 1.670 19731 2654 1 3 . 1 1 87 87 ILE H H 87 8.786 8.786 7.286 1.500 19731 2655 1 3 . 1 1 88 88 LYS N N 88 128.639 128.639 124.343 4.296 19731 2656 1 3 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.311 -0.390 19731 2657 1 3 . 1 1 88 88 LYS CA C 88 54.887 54.887 55.431 -0.544 19731 2658 1 3 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.841 -0.202 19731 2659 1 3 . 1 1 88 88 LYS H H 88 8.957 8.957 8.412 0.545 19731 2660 1 3 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.266 -0.246 19731 2661 1 3 . 1 1 89 89 PRO C C 89 176.542 176.542 178.609 -2.067 19731 2662 1 3 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.464 0.833 19731 2663 1 3 . 1 1 89 89 PRO CB C 89 31.703 31.703 32.073 -0.370 19731 2664 1 3 . 1 1 90 90 GLU N N 90 111.202 111.202 119.946 -8.744 19731 2665 1 3 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.033 0.275 19731 2666 1 3 . 1 1 90 90 GLU C C 90 176.241 176.241 176.793 -0.552 19731 2667 1 3 . 1 1 90 90 GLU CA C 90 59.036 59.036 59.642 -0.606 19731 2668 1 3 . 1 1 90 90 GLU CB C 90 28.508 28.508 29.185 -0.677 19731 2669 1 3 . 1 1 90 90 GLU H H 90 9.328 9.328 8.754 0.574 19731 2670 1 3 . 1 1 91 91 GLU N N 91 116.265 116.265 115.099 1.166 19731 2671 1 3 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.382 0.550 19731 2672 1 3 . 1 1 91 91 GLU C C 91 175.254 175.254 175.902 -0.648 19731 2673 1 3 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.664 -1.011 19731 2674 1 3 . 1 1 91 91 GLU CB C 91 30.856 30.856 28.094 2.762 19731 2675 1 3 . 1 1 91 91 GLU H H 91 8.101 8.101 8.224 -0.123 19731 2676 1 3 . 1 1 92 92 ILE N N 92 122.683 122.683 121.981 0.702 19731 2677 1 3 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.388 -0.154 19731 2678 1 3 . 1 1 92 92 ILE C C 92 173.710 173.710 174.970 -1.260 19731 2679 1 3 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.610 1.227 19731 2680 1 3 . 1 1 92 92 ILE CB C 92 40.171 40.171 36.557 3.614 19731 2681 1 3 . 1 1 92 92 ILE H H 92 8.042 8.042 7.904 0.138 19731 2682 1 3 . 1 1 93 93 MET N N 93 125.264 125.264 127.969 -2.705 19731 2683 1 3 . 1 1 93 93 MET HA H 93 5.215 5.215 4.958 0.257 19731 2684 1 3 . 1 1 93 93 MET C C 93 173.454 173.454 175.175 -1.721 19731 2685 1 3 . 1 1 93 93 MET CA C 93 53.322 53.322 54.911 -1.589 19731 2686 1 3 . 1 1 93 93 MET CB C 93 36.570 36.570 33.708 2.862 19731 2687 1 3 . 1 1 93 93 MET H H 93 9.187 9.187 8.569 0.618 19731 2688 1 3 . 1 1 94 94 VAL N N 94 128.639 128.639 125.867 2.772 19731 2689 1 3 . 1 1 94 94 VAL HA H 94 4.598 4.598 4.715 -0.117 19731 2690 1 3 . 1 1 94 94 VAL C C 94 174.675 174.675 174.191 0.484 19731 2691 1 3 . 1 1 94 94 VAL CA C 94 61.306 61.306 61.339 -0.033 19731 2692 1 3 . 1 1 94 94 VAL CB C 94 33.518 33.518 32.941 0.577 19731 2693 1 3 . 1 1 94 94 VAL H H 94 9.406 9.406 9.144 0.262 19731 2694 1 3 . 1 1 95 95 ALA N N 95 132.577 132.577 129.261 3.316 19731 2695 1 3 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.873 -0.138 19731 2696 1 3 . 1 1 95 95 ALA C C 95 175.640 175.640 175.608 0.032 19731 2697 1 3 . 1 1 95 95 ALA CA C 95 50.191 50.191 49.999 0.192 19731 2698 1 3 . 1 1 95 95 ALA CB C 95 20.210 20.210 21.991 -1.781 19731 2699 1 3 . 1 1 95 95 ALA H H 95 10.008 10.008 9.241 0.767 19731 2700 1 3 . 1 1 96 96 HIS N N 96 119.077 119.077 119.276 -0.199 19731 2701 1 3 . 1 1 96 96 HIS HA H 96 5.347 5.347 4.955 0.392 19731 2702 1 3 . 1 1 96 96 HIS C C 96 171.543 171.543 173.485 -1.942 19731 2703 1 3 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.924 -1.054 19731 2704 1 3 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.449 0.129 19731 2705 1 3 . 1 1 96 96 HIS H H 96 8.972 8.972 8.391 0.581 19731 2706 1 3 . 1 1 97 97 ASP N N 97 115.983 115.983 120.224 -4.241 19731 2707 1 3 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.532 0.163 19731 2708 1 3 . 1 1 97 97 ASP C C 97 178.064 178.064 175.416 2.648 19731 2709 1 3 . 1 1 97 97 ASP CA C 97 53.635 53.635 53.680 -0.045 19731 2710 1 3 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.590 -0.341 19731 2711 1 3 . 1 1 97 97 ASP H H 97 10.517 10.517 8.515 2.002 19731 2712 1 3 . 1 1 98 98 GLU N N 98 127.233 127.233 122.674 4.559 19731 2713 1 3 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.593 0.562 19731 2714 1 3 . 1 1 98 98 GLU C C 98 174.932 174.932 176.308 -1.376 19731 2715 1 3 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.268 -1.633 19731 2716 1 3 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.243 0.196 19731 2717 1 3 . 1 1 98 98 GLU H H 98 9.194 9.194 7.842 1.352 19731 2718 1 3 . 1 1 99 99 LEU N N 99 132.858 132.858 121.721 11.137 19731 2719 1 3 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.493 0.133 19731 2720 1 3 . 1 1 99 99 LEU C C 99 178.128 178.128 177.446 0.682 19731 2721 1 3 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.911 1.090 19731 2722 1 3 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.855 2.700 19731 2723 1 3 . 1 1 99 99 LEU H H 99 8.692 8.692 8.597 0.095 19731 2724 1 3 . 1 1 100 100 ASP N N 100 113.733 113.733 119.668 -5.935 19731 2725 1 3 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.535 0.076 19731 2726 1 3 . 1 1 100 100 ASP C C 100 175.276 175.276 175.981 -0.705 19731 2727 1 3 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.606 -0.640 19731 2728 1 3 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.117 -0.241 19731 2729 1 3 . 1 1 100 100 ASP H H 100 9.191 9.191 8.366 0.825 19731 2730 1 3 . 1 1 101 101 LEU N N 101 119.932 119.932 120.934 -1.002 19731 2731 1 3 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.893 -0.092 19731 2732 1 3 . 1 1 101 101 LEU C C 101 172.522 172.522 174.461 -1.939 19731 2733 1 3 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.736 -0.370 19731 2734 1 3 . 1 1 101 101 LEU CB C 101 45.338 45.338 43.717 1.621 19731 2735 1 3 . 1 1 101 101 LEU H H 101 7.427 7.427 7.326 0.101 19731 2736 1 3 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.345 0.136 19731 2737 1 3 . 1 1 103 103 PRO C C 103 178.429 178.429 176.748 1.681 19731 2738 1 3 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.288 -0.366 19731 2739 1 3 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.047 0.375 19731 2740 1 3 . 1 1 104 104 GLY N N 104 113.733 113.733 113.538 0.195 19731 2741 1 3 . 1 1 104 104 GLY C C 104 172.144 172.144 172.955 -0.811 19731 2742 1 3 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.332 0.632 19731 2743 1 3 . 1 1 104 104 GLY H H 104 9.826 9.826 8.871 0.955 19731 2744 1 3 . 1 1 105 105 VAL N N 105 116.265 116.265 113.897 2.368 19731 2745 1 3 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.200 -0.496 19731 2746 1 3 . 1 1 105 105 VAL C C 105 174.654 174.654 173.598 1.056 19731 2747 1 3 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.320 1.203 19731 2748 1 3 . 1 1 105 105 VAL CB C 105 34.927 34.927 35.397 -0.470 19731 2749 1 3 . 1 1 105 105 VAL H H 105 7.518 7.518 7.398 0.120 19731 2750 1 3 . 1 1 106 106 ALA N N 106 129.764 129.764 125.570 4.194 19731 2751 1 3 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.451 -0.036 19731 2752 1 3 . 1 1 106 106 ALA C C 106 174.954 174.954 175.977 -1.023 19731 2753 1 3 . 1 1 106 106 ALA CA C 106 51.521 51.521 49.977 1.544 19731 2754 1 3 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.491 1.242 19731 2755 1 3 . 1 1 106 106 ALA H H 106 9.484 9.484 8.378 1.106 19731 2756 1 3 . 1 1 107 107 LYS N N 107 113.733 113.733 118.984 -5.251 19731 2757 1 3 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.669 0.252 19731 2758 1 3 . 1 1 107 107 LYS C C 107 176.262 176.262 174.684 1.578 19731 2759 1 3 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.917 -1.343 19731 2760 1 3 . 1 1 107 107 LYS CB C 107 39.623 39.623 35.183 4.440 19731 2761 1 3 . 1 1 107 107 LYS H H 107 8.184 8.184 8.030 0.154 19731 2762 1 3 . 1 1 108 108 PHE N N 108 122.733 122.733 123.917 -1.184 19731 2763 1 3 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.974 1.047 19731 2764 1 3 . 1 1 108 108 PHE C C 108 177.828 177.828 175.808 2.020 19731 2765 1 3 . 1 1 108 108 PHE CA C 108 56.688 56.688 55.879 0.809 19731 2766 1 3 . 1 1 108 108 PHE CB C 108 42.128 42.128 41.003 1.125 19731 2767 1 3 . 1 1 108 108 PHE H H 108 11.610 11.610 8.355 3.255 19731 2768 1 3 . 1 1 109 109 LYS N N 109 122.733 122.733 119.709 3.024 19731 2769 1 3 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.557 0.046 19731 2770 1 3 . 1 1 109 109 LYS C C 109 173.152 173.152 174.164 -1.012 19731 2771 1 3 . 1 1 109 109 LYS CA C 109 56.218 56.218 55.227 0.991 19731 2772 1 3 . 1 1 109 109 LYS CB C 109 38.449 38.449 36.067 2.382 19731 2773 1 3 . 1 1 109 109 LYS H H 109 9.275 9.275 8.206 1.069 19731 2774 1 3 . 1 1 110 110 GLN N N 110 126.952 126.952 124.238 2.714 19731 2775 1 3 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.735 -0.609 19731 2776 1 3 . 1 1 110 110 GLN C C 110 175.040 175.040 175.461 -0.421 19731 2777 1 3 . 1 1 110 110 GLN CA C 110 55.891 55.891 55.051 0.840 19731 2778 1 3 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.724 -1.277 19731 2779 1 3 . 1 1 110 110 GLN H H 110 8.910 8.910 8.532 0.378 19731 2780 1 3 . 1 1 111 111 GLY N N 111 113.910 113.910 114.651 -0.741 19731 2781 1 3 . 1 1 111 111 GLY C C 111 171.543 171.543 172.722 -1.179 19731 2782 1 3 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.755 -0.122 19731 2783 1 3 . 1 1 111 111 GLY H H 111 7.170 7.170 8.637 -1.467 19731 2784 1 3 . 1 1 112 112 GLY N N 112 102.365 102.365 108.690 -6.325 19731 2785 1 3 . 1 1 112 112 GLY C C 112 174.954 174.954 172.747 2.207 19731 2786 1 3 . 1 1 112 112 GLY CA C 112 43.381 43.381 45.271 -1.890 19731 2787 1 3 . 1 1 112 112 GLY H H 112 7.634 7.634 8.126 -0.492 19731 2788 1 3 . 1 1 113 113 GLY N N 113 104.247 104.247 108.161 -3.914 19731 2789 1 3 . 1 1 113 113 GLY C C 113 174.737 174.737 173.630 1.107 19731 2790 1 3 . 1 1 113 113 GLY CA C 113 44.405 44.405 45.138 -0.733 19731 2791 1 3 . 1 1 113 113 GLY H H 113 8.109 8.109 8.282 -0.173 19731 2792 1 3 . 1 1 114 114 HIS N N 114 114.133 114.133 118.777 -4.644 19731 2793 1 3 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.799 -0.278 19731 2794 1 3 . 1 1 114 114 HIS CA C 114 55.197 55.197 55.253 -0.056 19731 2795 1 3 . 1 1 114 114 HIS CB C 114 31.659 31.659 31.937 -0.278 19731 2796 1 3 . 1 1 114 114 HIS H H 114 7.472 7.472 8.320 -0.848 19731 2797 1 3 . 1 1 115 115 GLY N N 115 111.756 111.756 109.944 1.812 19731 2798 1 3 . 1 1 115 115 GLY C C 115 175.298 175.298 175.091 0.207 19731 2799 1 3 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.493 2.415 19731 2800 1 3 . 1 1 115 115 GLY H H 115 8.472 8.472 8.582 -0.110 19731 2801 1 3 . 1 1 116 116 GLY N N 116 112.890 112.890 107.221 5.669 19731 2802 1 3 . 1 1 116 116 GLY C C 116 174.010 174.010 173.282 0.728 19731 2803 1 3 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.175 -0.457 19731 2804 1 3 . 1 1 116 116 GLY H H 116 11.124 11.124 8.445 2.679 19731 2805 1 3 . 1 1 117 117 HIS N N 117 124.702 124.702 121.237 3.465 19731 2806 1 3 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.845 -0.311 19731 2807 1 3 . 1 1 117 117 HIS C C 117 177.485 177.485 175.111 2.374 19731 2808 1 3 . 1 1 117 117 HIS CA C 117 57.152 57.152 55.530 1.622 19731 2809 1 3 . 1 1 117 117 HIS CB C 117 32.422 32.422 33.413 -0.992 19731 2810 1 3 . 1 1 117 117 HIS H H 117 8.275 8.275 7.857 0.418 19731 2811 1 3 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.195 0.158 19731 2812 1 3 . 1 1 118 118 ASN C C 118 178.751 178.751 176.898 1.853 19731 2813 1 3 . 1 1 118 118 ASN CA C 118 56.610 56.610 57.767 -1.157 19731 2814 1 3 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.069 0.145 19731 2815 1 3 . 1 1 119 119 GLY N N 119 112.608 112.608 107.318 5.290 19731 2816 1 3 . 1 1 119 119 GLY C C 119 177.163 177.163 175.746 1.417 19731 2817 1 3 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.102 0.271 19731 2818 1 3 . 1 1 119 119 GLY H H 119 9.608 9.608 8.523 1.085 19731 2819 1 3 . 1 1 120 120 LEU N N 120 125.827 125.827 120.712 5.115 19731 2820 1 3 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.466 -0.493 19731 2821 1 3 . 1 1 120 120 LEU C C 120 178.729 178.729 179.757 -1.028 19731 2822 1 3 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.145 1.795 19731 2823 1 3 . 1 1 120 120 LEU CB C 120 42.833 42.833 41.040 1.793 19731 2824 1 3 . 1 1 120 120 LEU H H 120 8.199 8.199 7.733 0.466 19731 2825 1 3 . 1 1 121 121 LYS N N 121 119.921 119.921 121.045 -1.124 19731 2826 1 3 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.289 -0.608 19731 2827 1 3 . 1 1 121 121 LYS C C 121 178.708 178.708 179.296 -0.588 19731 2828 1 3 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.279 2.558 19731 2829 1 3 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.750 1.454 19731 2830 1 3 . 1 1 121 121 LYS H H 121 8.760 8.760 8.701 0.059 19731 2831 1 3 . 1 1 122 122 ASP N N 122 117.389 117.389 120.105 -2.716 19731 2832 1 3 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.421 0.129 19731 2833 1 3 . 1 1 122 122 ASP C C 122 178.107 178.107 177.737 0.370 19731 2834 1 3 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.743 0.432 19731 2835 1 3 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.970 2.724 19731 2836 1 3 . 1 1 122 122 ASP H H 122 7.245 7.245 8.674 -1.429 19731 2837 1 3 . 1 1 123 123 THR N N 123 116.546 116.546 115.809 0.737 19731 2838 1 3 . 1 1 123 123 THR HA H 123 3.830 3.830 3.985 -0.155 19731 2839 1 3 . 1 1 123 123 THR C C 123 174.696 174.696 176.980 -2.284 19731 2840 1 3 . 1 1 123 123 THR CA C 123 69.447 69.447 66.439 3.008 19731 2841 1 3 . 1 1 123 123 THR CB C 123 67.803 67.803 68.501 -0.698 19731 2842 1 3 . 1 1 123 123 THR H H 123 7.639 7.639 7.583 0.056 19731 2843 1 3 . 1 1 124 124 ILE N N 124 118.736 118.736 121.207 -2.471 19731 2844 1 3 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.962 0.431 19731 2845 1 3 . 1 1 124 124 ILE C C 124 179.051 179.051 178.358 0.693 19731 2846 1 3 . 1 1 124 124 ILE CA C 124 65.453 65.453 62.501 2.953 19731 2847 1 3 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.697 2.881 19731 2848 1 3 . 1 1 124 124 ILE H H 124 8.078 8.078 7.391 0.687 19731 2849 1 3 . 1 1 125 125 SER N N 125 110.921 110.921 115.916 -4.995 19731 2850 1 3 . 1 1 125 125 SER HA H 125 4.177 4.177 4.121 0.056 19731 2851 1 3 . 1 1 125 125 SER C C 125 178.729 178.729 176.452 2.277 19731 2852 1 3 . 1 1 125 125 SER CA C 125 61.619 61.619 61.548 0.071 19731 2853 1 3 . 1 1 125 125 SER CB C 125 63.263 63.263 62.946 0.317 19731 2854 1 3 . 1 1 125 125 SER H H 125 7.397 7.397 8.332 -0.935 19731 2855 1 3 . 1 1 126 126 LYS N N 126 119.572 119.572 120.140 -0.568 19731 2856 1 3 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.118 0.129 19731 2857 1 3 . 1 1 126 126 LYS C C 126 178.407 178.407 177.477 0.930 19731 2858 1 3 . 1 1 126 126 LYS CA C 126 58.019 58.019 58.192 -0.173 19731 2859 1 3 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.386 -0.512 19731 2860 1 3 . 1 1 126 126 LYS H H 126 8.457 8.457 8.162 0.295 19731 2861 1 3 . 1 1 127 127 LEU N N 127 119.633 119.633 117.130 2.503 19731 2862 1 3 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.484 0.081 19731 2863 1 3 . 1 1 127 127 LEU C C 127 176.542 176.542 177.761 -1.219 19731 2864 1 3 . 1 1 127 127 LEU CA C 127 54.291 54.291 54.329 -0.038 19731 2865 1 3 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.731 -2.280 19731 2866 1 3 . 1 1 127 127 LEU H H 127 7.753 7.753 7.486 0.267 19731 2867 1 3 . 1 1 128 128 GLY N N 128 107.827 107.827 109.232 -1.405 19731 2868 1 3 . 1 1 128 128 GLY C C 128 179.094 179.094 174.636 4.458 19731 2869 1 3 . 1 1 128 128 GLY CA C 128 46.903 46.903 46.293 0.610 19731 2870 1 3 . 1 1 128 128 GLY H H 128 7.773 7.773 8.303 -0.530 19731 2871 1 3 . 1 1 129 129 ASN N N 129 115.879 115.879 123.462 -7.583 19731 2872 1 3 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.799 -0.447 19731 2873 1 3 . 1 1 129 129 ASN C C 129 175.028 175.028 174.452 0.576 19731 2874 1 3 . 1 1 129 129 ASN CA C 129 54.261 54.261 52.283 1.978 19731 2875 1 3 . 1 1 129 129 ASN CB C 129 37.040 37.040 39.287 -2.247 19731 2876 1 3 . 1 1 129 129 ASN H H 129 8.246 8.246 8.346 -0.100 19731 2877 1 3 . 1 1 131 131 LYS HA H 131 4.694 4.694 3.993 0.701 19731 2878 1 3 . 1 1 131 131 LYS C C 131 178.450 178.450 176.678 1.772 19731 2879 1 3 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.208 0.346 19731 2880 1 3 . 1 1 131 131 LYS CB C 131 33.204 33.204 32.407 0.796 19731 2881 1 3 . 1 1 132 132 GLU N N 132 119.297 119.297 122.098 -2.801 19731 2882 1 3 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.165 -0.292 19731 2883 1 3 . 1 1 132 132 GLU C C 132 175.318 175.318 174.456 0.862 19731 2884 1 3 . 1 1 132 132 GLU CA C 132 56.923 56.923 56.200 0.723 19731 2885 1 3 . 1 1 132 132 GLU CB C 132 27.803 27.803 28.332 -0.529 19731 2886 1 3 . 1 1 132 132 GLU H H 132 8.699 8.699 8.545 0.154 19731 2887 1 3 . 1 1 133 133 PHE N N 133 114.296 114.296 114.525 -0.229 19731 2888 1 3 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.982 0.085 19731 2889 1 3 . 1 1 133 133 PHE C C 133 177.785 177.785 174.126 3.659 19731 2890 1 3 . 1 1 133 133 PHE CA C 133 55.201 55.201 54.617 0.584 19731 2891 1 3 . 1 1 133 133 PHE CB C 133 40.249 40.249 40.870 -0.621 19731 2892 1 3 . 1 1 133 133 PHE H H 133 6.669 6.669 7.621 -0.952 19731 2893 1 3 . 1 1 134 134 TYR N N 134 121.046 121.046 119.218 1.828 19731 2894 1 3 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.283 -0.310 19731 2895 1 3 . 1 1 134 134 TYR C C 134 176.219 176.219 176.339 -0.120 19731 2896 1 3 . 1 1 134 134 TYR CA C 134 59.506 59.506 57.532 1.974 19731 2897 1 3 . 1 1 134 134 TYR CB C 134 41.658 41.658 39.152 2.506 19731 2898 1 3 . 1 1 134 134 TYR H H 134 9.230 9.230 8.025 1.205 19731 2899 1 3 . 1 1 135 135 ARG N N 135 119.639 119.639 120.890 -1.251 19731 2900 1 3 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.525 0.383 19731 2901 1 3 . 1 1 135 135 ARG C C 135 174.353 174.353 174.861 -0.508 19731 2902 1 3 . 1 1 135 135 ARG CA C 135 54.758 54.758 54.491 0.267 19731 2903 1 3 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.210 -1.023 19731 2904 1 3 . 1 1 135 135 ARG H H 135 9.896 9.896 8.366 1.530 19731 2905 1 3 . 1 1 136 136 LEU N N 136 126.108 126.108 118.811 7.297 19731 2906 1 3 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.159 -0.301 19731 2907 1 3 . 1 1 136 136 LEU C C 136 173.131 173.131 175.630 -2.499 19731 2908 1 3 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.441 1.290 19731 2909 1 3 . 1 1 136 136 LEU CB C 136 42.989 42.989 45.334 -2.345 19731 2910 1 3 . 1 1 136 136 LEU H H 136 8.601 8.601 9.083 -0.482 19731 2911 1 3 . 1 1 137 137 ARG N N 137 124.421 124.421 121.153 3.268 19731 2912 1 3 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.219 -1.679 19731 2913 1 3 . 1 1 137 137 ARG C C 137 174.010 174.010 174.476 -0.466 19731 2914 1 3 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.415 1.069 19731 2915 1 3 . 1 1 137 137 ARG CB C 137 32.265 32.265 33.255 -0.990 19731 2916 1 3 . 1 1 137 137 ARG H H 137 9.230 9.230 8.274 0.956 19731 2917 1 3 . 1 1 138 138 LEU N N 138 125.827 125.827 122.895 2.932 19731 2918 1 3 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.893 -0.444 19731 2919 1 3 . 1 1 138 138 LEU C C 138 175.940 175.940 177.021 -1.081 19731 2920 1 3 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.342 0.528 19731 2921 1 3 . 1 1 138 138 LEU CB C 138 41.580 41.580 43.180 -1.600 19731 2922 1 3 . 1 1 138 138 LEU H H 138 8.640 8.640 8.328 0.312 19731 2923 1 3 . 1 1 139 139 GLY N N 139 113.171 113.171 111.737 1.434 19731 2924 1 3 . 1 1 139 139 GLY C C 139 174.353 174.353 174.135 0.218 19731 2925 1 3 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.963 2.819 19731 2926 1 3 . 1 1 139 139 GLY H H 139 8.578 8.578 9.124 -0.546 19731 2927 1 3 . 1 1 140 140 ILE N N 140 112.046 112.046 119.938 -7.892 19731 2928 1 3 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.513 0.248 19731 2929 1 3 . 1 1 140 140 ILE C C 140 178.707 178.707 174.094 4.613 19731 2930 1 3 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.208 1.629 19731 2931 1 3 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.303 3.747 19731 2932 1 3 . 1 1 140 140 ILE H H 140 8.125 8.125 7.666 0.459 19731 2933 1 3 . 1 1 141 141 GLY N N 141 116.265 116.265 108.658 7.607 19731 2934 1 3 . 1 1 141 141 GLY C C 141 167.232 167.232 171.928 -4.696 19731 2935 1 3 . 1 1 141 141 GLY CA C 141 45.416 45.416 43.447 1.969 19731 2936 1 3 . 1 1 141 141 GLY H H 141 9.411 9.411 8.007 1.404 19731 2937 1 3 . 1 1 142 142 HIS N N 142 113.452 113.452 116.216 -2.764 19731 2938 1 3 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.910 -0.545 19731 2939 1 3 . 1 1 142 142 HIS C C 142 175.640 175.640 172.608 3.032 19731 2940 1 3 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.729 1.358 19731 2941 1 3 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.391 4.222 19731 2942 1 3 . 1 1 142 142 HIS H H 142 7.578 7.578 7.787 -0.209 19731 2943 1 3 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.354 0.269 19731 2944 1 3 . 1 1 143 143 PRO C C 143 176.842 176.842 176.793 0.049 19731 2945 1 3 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.227 -0.305 19731 2946 1 3 . 1 1 143 143 PRO CB C 143 32.828 32.828 32.279 0.549 19731 2947 1 3 . 1 1 144 144 GLY N N 144 106.468 106.468 110.381 -3.913 19731 2948 1 3 . 1 1 144 144 GLY C C 144 173.411 173.411 173.264 0.147 19731 2949 1 3 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.488 -0.267 19731 2950 1 3 . 1 1 144 144 GLY H H 144 8.133 8.133 8.049 0.084 19731 2951 1 3 . 1 1 145 145 HIS N N 145 117.271 117.271 122.462 -5.191 19731 2952 1 3 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.767 -0.233 19731 2953 1 3 . 1 1 145 145 HIS C C 145 176.636 176.636 176.744 -0.108 19731 2954 1 3 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.481 1.598 19731 2955 1 3 . 1 1 145 145 HIS CB C 145 34.144 34.144 30.648 3.496 19731 2956 1 3 . 1 1 145 145 HIS H H 145 7.067 7.067 8.660 -1.593 19731 2957 1 3 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.294 -0.052 19731 2958 1 3 . 1 1 146 146 LYS C C 146 178.429 178.429 177.339 1.090 19731 2959 1 3 . 1 1 146 146 LYS CA C 146 59.547 59.547 58.637 0.910 19731 2960 1 3 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.453 -0.188 19731 2961 1 3 . 1 1 147 147 ASP N N 147 122.171 122.171 117.941 4.230 19731 2962 1 3 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.483 0.154 19731 2963 1 3 . 1 1 147 147 ASP C C 147 177.442 177.442 177.136 0.306 19731 2964 1 3 . 1 1 147 147 ASP CA C 147 56.140 56.140 55.535 0.605 19731 2965 1 3 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.205 -0.112 19731 2966 1 3 . 1 1 147 147 ASP H H 147 10.805 10.805 8.364 2.441 19731 2967 1 3 . 1 1 148 148 LYS N N 148 116.546 116.546 119.971 -3.425 19731 2968 1 3 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.449 0.065 19731 2969 1 3 . 1 1 148 148 LYS C C 148 177.163 177.163 177.229 -0.066 19731 2970 1 3 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.598 1.229 19731 2971 1 3 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.226 3.387 19731 2972 1 3 . 1 1 148 148 LYS H H 148 7.775 7.775 8.045 -0.270 19731 2973 1 3 . 1 1 149 149 VAL N N 149 121.046 121.046 121.778 -0.732 19731 2974 1 3 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.494 -0.249 19731 2975 1 3 . 1 1 149 149 VAL C C 149 176.241 176.241 176.139 0.102 19731 2976 1 3 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.156 3.039 19731 2977 1 3 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.808 0.301 19731 2978 1 3 . 1 1 149 149 VAL H H 149 7.366 7.366 7.438 -0.072 19731 2979 1 3 . 1 1 150 150 ALA N N 150 121.889 121.889 121.249 0.640 19731 2980 1 3 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.929 0.120 19731 2981 1 3 . 1 1 150 150 ALA C C 150 180.016 180.016 179.546 0.470 19731 2982 1 3 . 1 1 150 150 ALA CA C 150 55.827 55.827 55.192 0.635 19731 2983 1 3 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.840 -0.213 19731 2984 1 3 . 1 1 150 150 ALA H H 150 8.675 8.675 8.238 0.437 19731 2985 1 3 . 1 1 151 151 GLY N N 151 102.202 102.202 104.590 -2.388 19731 2986 1 3 . 1 1 151 151 GLY C C 151 175.919 175.919 176.019 -0.100 19731 2987 1 3 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.662 -0.698 19731 2988 1 3 . 1 1 151 151 GLY H H 151 8.366 8.366 7.972 0.394 19731 2989 1 3 . 1 1 152 152 TYR N N 152 123.296 123.296 119.456 3.840 19731 2990 1 3 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.328 -0.097 19731 2991 1 3 . 1 1 152 152 TYR C C 152 179.694 179.694 176.867 2.827 19731 2992 1 3 . 1 1 152 152 TYR CA C 152 61.385 61.385 57.880 3.505 19731 2993 1 3 . 1 1 152 152 TYR CB C 152 40.484 40.484 38.146 2.338 19731 2994 1 3 . 1 1 152 152 TYR H H 152 7.942 7.942 7.097 0.845 19731 2995 1 3 . 1 1 153 153 VAL N N 153 112.890 112.890 117.666 -4.776 19731 2996 1 3 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.963 0.065 19731 2997 1 3 . 1 1 153 153 VAL C C 153 175.620 175.620 176.002 -0.382 19731 2998 1 3 . 1 1 153 153 VAL CA C 153 65.142 65.142 64.234 0.908 19731 2999 1 3 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.944 -1.853 19731 3000 1 3 . 1 1 153 153 VAL H H 153 8.618 8.618 8.115 0.503 19731 3001 1 3 . 1 1 154 154 LEU N N 154 117.108 117.108 110.609 6.499 19731 3002 1 3 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.800 -0.083 19731 3003 1 3 . 1 1 154 154 LEU C C 154 175.297 175.297 176.286 -0.989 19731 3004 1 3 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.460 0.488 19731 3005 1 3 . 1 1 154 154 LEU CB C 154 40.641 40.641 42.124 -1.483 19731 3006 1 3 . 1 1 154 154 LEU H H 154 6.897 6.897 7.862 -0.965 19731 3007 1 3 . 1 1 155 155 GLY N N 155 107.827 107.827 109.072 -1.245 19731 3008 1 3 . 1 1 155 155 GLY C C 155 171.844 171.844 173.987 -2.143 19731 3009 1 3 . 1 1 155 155 GLY CA C 155 43.615 43.615 44.815 -1.200 19731 3010 1 3 . 1 1 155 155 GLY H H 155 7.351 7.351 7.498 -0.147 19731 3011 1 3 . 1 1 156 156 LYS N N 156 118.233 118.233 122.347 -4.114 19731 3012 1 3 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.436 0.220 19731 3013 1 3 . 1 1 156 156 LYS C C 156 176.541 176.541 176.805 -0.264 19731 3014 1 3 . 1 1 156 156 LYS CA C 156 54.887 54.887 56.219 -1.332 19731 3015 1 3 . 1 1 156 156 LYS CB C 156 33.518 33.518 32.763 0.755 19731 3016 1 3 . 1 1 156 156 LYS H H 156 8.154 8.154 8.315 -0.161 19731 3017 1 3 . 1 1 157 157 ALA N N 157 130.608 130.608 129.443 1.165 19731 3018 1 3 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.674 -0.280 19731 3019 1 3 . 1 1 157 157 ALA C C 157 175.876 175.876 175.174 0.702 19731 3020 1 3 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.654 1.241 19731 3021 1 3 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.860 -1.076 19731 3022 1 3 . 1 1 157 157 ALA H H 157 9.777 9.777 8.514 1.263 19731 3023 1 3 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.486 0.030 19731 3024 1 3 . 1 1 158 158 PRO C C 158 176.532 176.532 177.054 -0.522 19731 3025 1 3 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.328 -0.161 19731 3026 1 3 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.328 0.015 19731 3027 1 3 . 1 1 159 159 ALA N N 159 123.733 123.733 124.873 -1.140 19731 3028 1 3 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.006 0.038 19731 3029 1 3 . 1 1 159 159 ALA C C 159 179.706 179.706 179.653 0.053 19731 3030 1 3 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.415 1.351 19731 3031 1 3 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.556 0.323 19731 3032 1 3 . 1 1 159 159 ALA H H 159 8.575 8.575 8.598 -0.023 19731 3033 1 3 . 1 1 160 160 LYS N N 160 116.796 116.796 117.558 -0.762 19731 3034 1 3 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.375 -0.218 19731 3035 1 3 . 1 1 160 160 LYS C C 160 179.115 179.115 178.958 0.157 19731 3036 1 3 . 1 1 160 160 LYS CA C 160 58.958 58.958 59.305 -0.347 19731 3037 1 3 . 1 1 160 160 LYS CB C 160 31.561 31.561 32.085 -0.524 19731 3038 1 3 . 1 1 160 160 LYS H H 160 8.883 8.883 8.434 0.449 19731 3039 1 3 . 1 1 161 161 GLU N N 161 118.514 118.514 118.883 -0.369 19731 3040 1 3 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.163 -0.049 19731 3041 1 3 . 1 1 161 161 GLU C C 161 178.707 178.707 178.411 0.296 19731 3042 1 3 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.305 1.044 19731 3043 1 3 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.529 1.718 19731 3044 1 3 . 1 1 161 161 GLU H H 161 6.988 6.988 7.640 -0.652 19731 3045 1 3 . 1 1 162 162 GLN N N 162 120.202 120.202 118.611 1.591 19731 3046 1 3 . 1 1 162 162 GLN HA H 162 3.700 3.700 3.999 -0.299 19731 3047 1 3 . 1 1 162 162 GLN C C 162 177.184 177.184 178.344 -1.160 19731 3048 1 3 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.132 -0.113 19731 3049 1 3 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.183 0.090 19731 3050 1 3 . 1 1 162 162 GLN H H 162 8.988 8.988 8.079 0.909 19731 3051 1 3 . 1 1 163 163 GLU N N 163 117.952 117.952 120.362 -2.410 19731 3052 1 3 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.051 0.089 19731 3053 1 3 . 1 1 163 163 GLU C C 163 180.273 180.273 178.809 1.464 19731 3054 1 3 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.609 0.288 19731 3055 1 3 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.288 0.472 19731 3056 1 3 . 1 1 163 163 GLU H H 163 8.063 8.063 7.922 0.141 19731 3057 1 3 . 1 1 164 164 CYS N N 164 118.796 118.796 116.497 2.299 19731 3058 1 3 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.260 -0.120 19731 3059 1 3 . 1 1 164 164 CYS C C 164 176.562 176.562 176.573 -0.011 19731 3060 1 3 . 1 1 164 164 CYS CA C 164 63.420 63.420 62.668 0.752 19731 3061 1 3 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.919 -0.603 19731 3062 1 3 . 1 1 164 164 CYS H H 164 7.306 7.306 7.433 -0.127 19731 3063 1 3 . 1 1 165 165 LEU N N 165 121.327 121.327 123.545 -2.218 19731 3064 1 3 . 1 1 165 165 LEU HA H 165 4.297 4.297 3.945 0.352 19731 3065 1 3 . 1 1 165 165 LEU C C 165 179.029 179.029 178.124 0.905 19731 3066 1 3 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.165 0.245 19731 3067 1 3 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.091 1.194 19731 3068 1 3 . 1 1 165 165 LEU H H 165 8.357 8.357 7.387 0.970 19731 3069 1 3 . 1 1 166 166 ASP N N 166 119.358 119.358 118.635 0.723 19731 3070 1 3 . 1 1 166 166 ASP HA H 166 4.231 4.231 3.972 0.259 19731 3071 1 3 . 1 1 166 166 ASP C C 166 179.029 179.029 178.139 0.890 19731 3072 1 3 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.395 -0.003 19731 3073 1 3 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.898 -1.197 19731 3074 1 3 . 1 1 166 166 ASP H H 166 9.169 9.169 7.907 1.262 19731 3075 1 3 . 1 1 167 167 ALA N N 167 122.171 122.171 121.694 0.477 19731 3076 1 3 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.112 0.210 19731 3077 1 3 . 1 1 167 167 ALA C C 167 180.616 180.616 179.377 1.239 19731 3078 1 3 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.149 -0.183 19731 3079 1 3 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.301 0.187 19731 3080 1 3 . 1 1 167 167 ALA H H 167 7.745 7.745 7.692 0.053 19731 3081 1 3 . 1 1 168 168 ALA N N 168 122.452 122.452 120.449 2.003 19731 3082 1 3 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.540 -0.476 19731 3083 1 3 . 1 1 168 168 ALA C C 168 180.917 180.917 179.474 1.443 19731 3084 1 3 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.520 0.916 19731 3085 1 3 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.375 -0.670 19731 3086 1 3 . 1 1 168 168 ALA H H 168 8.164 8.164 7.966 0.198 19731 3087 1 3 . 1 1 169 169 VAL N N 169 124.702 124.702 119.580 5.122 19731 3088 1 3 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.700 -0.258 19731 3089 1 3 . 1 1 169 169 VAL C C 169 177.442 177.442 177.481 -0.039 19731 3090 1 3 . 1 1 169 169 VAL CA C 169 67.725 67.725 67.030 0.695 19731 3091 1 3 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.651 -0.012 19731 3092 1 3 . 1 1 169 169 VAL H H 169 9.052 9.052 7.461 1.591 19731 3093 1 3 . 1 1 170 170 ASP N N 170 119.358 119.358 120.422 -1.064 19731 3094 1 3 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.315 -0.080 19731 3095 1 3 . 1 1 170 170 ASP C C 170 178.750 178.750 178.290 0.460 19731 3096 1 3 . 1 1 170 170 ASP CA C 170 57.862 57.862 58.047 -0.185 19731 3097 1 3 . 1 1 170 170 ASP CB C 170 40.719 40.719 41.078 -0.359 19731 3098 1 3 . 1 1 170 170 ASP H H 170 8.139 8.139 8.032 0.107 19731 3099 1 3 . 1 1 171 171 GLU N N 171 119.639 119.639 118.296 1.343 19731 3100 1 3 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.780 0.362 19731 3101 1 3 . 1 1 171 171 GLU C C 171 179.050 179.050 178.887 0.163 19731 3102 1 3 . 1 1 171 171 GLU CA C 171 58.175 58.175 59.005 -0.830 19731 3103 1 3 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.561 -0.445 19731 3104 1 3 . 1 1 171 171 GLU H H 171 7.821 7.821 7.979 -0.158 19731 3105 1 3 . 1 1 172 172 SER N N 172 119.251 119.251 116.461 2.790 19731 3106 1 3 . 1 1 172 172 SER HA H 172 3.818 3.818 4.284 -0.466 19731 3107 1 3 . 1 1 172 172 SER C C 172 175.919 175.919 176.857 -0.938 19731 3108 1 3 . 1 1 172 172 SER CA C 172 64.594 64.594 62.225 2.369 19731 3109 1 3 . 1 1 172 172 SER CB C 172 62.794 62.794 63.134 -0.340 19731 3110 1 3 . 1 1 172 172 SER H H 172 8.457 8.457 7.604 0.853 19731 3111 1 3 . 1 1 173 173 VAL N N 173 121.889 121.889 118.515 3.374 19731 3112 1 3 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.835 -0.373 19731 3113 1 3 . 1 1 173 173 VAL C C 173 178.407 178.407 177.053 1.354 19731 3114 1 3 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.282 2.521 19731 3115 1 3 . 1 1 173 173 VAL CB C 173 31.404 31.404 30.964 0.440 19731 3116 1 3 . 1 1 173 173 VAL H H 173 8.316 8.316 7.718 0.598 19731 3117 1 3 . 1 1 174 174 ARG N N 174 118.796 118.796 121.507 -2.711 19731 3118 1 3 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.168 -0.036 19731 3119 1 3 . 1 1 174 174 ARG C C 174 180.938 180.938 178.376 2.562 19731 3120 1 3 . 1 1 174 174 ARG CA C 174 59.506 59.506 57.876 1.630 19731 3121 1 3 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.028 1.045 19731 3122 1 3 . 1 1 174 174 ARG H H 174 7.669 7.669 7.979 -0.310 19731 3123 1 3 . 1 1 175 175 CYS N N 175 117.070 117.070 117.950 -0.880 19731 3124 1 3 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.219 0.108 19731 3125 1 3 . 1 1 175 175 CYS C C 175 176.541 176.541 176.868 -0.327 19731 3126 1 3 . 1 1 175 175 CYS CA C 175 64.437 64.437 60.800 3.637 19731 3127 1 3 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.159 1.096 19731 3128 1 3 . 1 1 175 175 CYS H H 175 8.649 8.649 8.405 0.244 19731 3129 1 3 . 1 1 176 176 LEU N N 176 125.264 125.264 122.267 2.997 19731 3130 1 3 . 1 1 176 176 LEU HA H 176 4.080 4.080 4.068 0.012 19731 3131 1 3 . 1 1 176 176 LEU C C 176 178.450 178.450 179.328 -0.878 19731 3132 1 3 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.829 0.033 19731 3133 1 3 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.163 0.730 19731 3134 1 3 . 1 1 176 176 LEU H H 176 8.699 8.699 7.844 0.855 19731 3135 1 3 . 1 1 177 177 GLU N N 177 118.260 118.260 120.376 -2.116 19731 3136 1 3 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.025 -0.264 19731 3137 1 3 . 1 1 177 177 GLU C C 177 179.029 179.029 179.166 -0.137 19731 3138 1 3 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.580 0.943 19731 3139 1 3 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.816 -0.604 19731 3140 1 3 . 1 1 177 177 GLU H H 177 7.533 7.533 7.446 0.087 19731 3141 1 3 . 1 1 178 178 ILE N N 178 118.788 118.788 120.082 -1.294 19731 3142 1 3 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.728 -0.051 19731 3143 1 3 . 1 1 178 178 ILE C C 178 177.785 177.785 178.213 -0.428 19731 3144 1 3 . 1 1 178 178 ILE CA C 178 65.142 65.142 64.011 1.131 19731 3145 1 3 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.805 1.722 19731 3146 1 3 . 1 1 178 178 ILE H H 178 7.384 7.384 8.339 -0.955 19731 3147 1 3 . 1 1 179 179 LEU N N 179 123.577 123.577 121.635 1.942 19731 3148 1 3 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.127 -0.427 19731 3149 1 3 . 1 1 179 179 LEU C C 179 178.129 178.129 179.647 -1.518 19731 3150 1 3 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.096 0.549 19731 3151 1 3 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.171 -0.278 19731 3152 1 3 . 1 1 179 179 LEU H H 179 8.503 8.503 8.320 0.183 19731 3153 1 3 . 1 1 180 180 MET N N 180 113.171 113.171 112.768 0.403 19731 3154 1 3 . 1 1 180 180 MET HA H 180 4.186 4.186 4.411 -0.225 19731 3155 1 3 . 1 1 180 180 MET C C 180 176.498 176.498 177.055 -0.557 19731 3156 1 3 . 1 1 180 180 MET CA C 180 55.905 55.905 57.635 -1.730 19731 3157 1 3 . 1 1 180 180 MET CB C 180 31.013 31.013 33.188 -2.175 19731 3158 1 3 . 1 1 180 180 MET H H 180 7.139 7.139 7.652 -0.513 19731 3159 1 3 . 1 1 181 181 LYS N N 181 117.952 117.952 116.745 1.207 19731 3160 1 3 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.333 -0.060 19731 3161 1 3 . 1 1 181 181 LYS C C 181 176.542 176.542 177.291 -0.749 19731 3162 1 3 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.667 1.056 19731 3163 1 3 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.354 1.573 19731 3164 1 3 . 1 1 181 181 LYS H H 181 7.665 7.665 7.617 0.048 19731 3165 1 3 . 1 1 182 182 ASP N N 182 116.827 116.827 117.677 -0.850 19731 3166 1 3 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.911 0.009 19731 3167 1 3 . 1 1 182 182 ASP C C 182 177.485 177.485 174.494 2.991 19731 3168 1 3 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.620 1.267 19731 3169 1 3 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.702 1.088 19731 3170 1 3 . 1 1 182 182 ASP H H 182 9.191 9.191 8.407 0.784 19731 3171 1 3 . 1 1 183 183 GLY N N 183 110.358 110.358 106.400 3.958 19731 3172 1 3 . 1 1 183 183 GLY C C 183 173.410 173.410 175.073 -1.663 19731 3173 1 3 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.606 0.035 19731 3174 1 3 . 1 1 183 183 GLY H H 183 7.745 7.745 7.547 0.198 19731 3175 1 3 . 1 1 184 184 LEU N N 184 118.796 118.796 117.276 1.520 19731 3176 1 3 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.437 -0.737 19731 3177 1 3 . 1 1 184 184 LEU C C 184 177.506 177.506 177.861 -0.355 19731 3178 1 3 . 1 1 184 184 LEU CA C 184 58.410 58.410 56.584 1.826 19731 3179 1 3 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.330 0.876 19731 3180 1 3 . 1 1 184 184 LEU H H 184 8.381 8.381 8.762 -0.381 19731 3181 1 3 . 1 1 185 185 THR N N 185 115.421 115.421 112.418 3.003 19731 3182 1 3 . 1 1 185 185 THR HA H 185 3.819 3.819 3.956 -0.137 19731 3183 1 3 . 1 1 185 185 THR C C 185 176.520 176.520 176.397 0.123 19731 3184 1 3 . 1 1 185 185 THR CA C 185 67.021 67.021 65.368 1.653 19731 3185 1 3 . 1 1 185 185 THR CB C 185 68.351 68.351 68.198 0.153 19731 3186 1 3 . 1 1 185 185 THR H H 185 8.336 8.336 8.193 0.143 19731 3187 1 3 . 1 1 186 186 LYS N N 186 120.202 120.202 121.861 -1.659 19731 3188 1 3 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.063 -0.105 19731 3189 1 3 . 1 1 186 186 LYS C C 186 179.329 179.329 178.126 1.203 19731 3190 1 3 . 1 1 186 186 LYS CA C 186 59.547 59.547 59.054 0.492 19731 3191 1 3 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.460 0.883 19731 3192 1 3 . 1 1 186 186 LYS H H 186 8.237 8.237 7.778 0.459 19731 3193 1 3 . 1 1 187 187 ALA N N 187 121.889 121.889 121.547 0.342 19731 3194 1 3 . 1 1 187 187 ALA HA H 187 3.913 3.913 3.929 -0.016 19731 3195 1 3 . 1 1 187 187 ALA C C 187 178.772 178.772 179.780 -1.008 19731 3196 1 3 . 1 1 187 187 ALA CA C 187 55.905 55.905 54.786 1.119 19731 3197 1 3 . 1 1 187 187 ALA CB C 187 19.584 19.584 17.552 2.032 19731 3198 1 3 . 1 1 187 187 ALA H H 187 7.566 7.566 7.841 -0.275 19731 3199 1 3 . 1 1 188 188 GLN N N 188 117.952 117.952 117.812 0.140 19731 3200 1 3 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.803 0.006 19731 3201 1 3 . 1 1 188 188 GLN C C 188 176.863 176.863 178.787 -1.924 19731 3202 1 3 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.767 0.269 19731 3203 1 3 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.291 0.765 19731 3204 1 3 . 1 1 188 188 GLN H H 188 9.125 9.125 7.501 1.624 19731 3205 1 3 . 1 1 189 189 ASN N N 189 117.100 117.100 117.790 -0.690 19731 3206 1 3 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.552 -0.126 19731 3207 1 3 . 1 1 189 189 ASN C C 189 177.463 177.463 177.264 0.199 19731 3208 1 3 . 1 1 189 189 ASN CA C 189 55.670 55.670 55.536 0.134 19731 3209 1 3 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.512 -0.533 19731 3210 1 3 . 1 1 189 189 ASN H H 189 8.275 8.275 7.601 0.674 19731 3211 1 3 . 1 1 190 190 ARG N N 190 117.389 117.389 118.668 -1.279 19731 3212 1 3 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.238 0.257 19731 3213 1 3 . 1 1 190 190 ARG C C 190 178.428 178.428 177.912 0.516 19731 3214 1 3 . 1 1 190 190 ARG CA C 190 59.036 59.036 57.243 1.793 19731 3215 1 3 . 1 1 190 190 ARG CB C 190 29.760 29.760 30.113 -0.353 19731 3216 1 3 . 1 1 190 190 ARG H H 190 7.230 7.230 8.323 -1.093 19731 3217 1 3 . 1 1 191 191 LEU N N 191 122.155 122.155 116.703 5.452 19731 3218 1 3 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.381 -0.241 19731 3219 1 3 . 1 1 191 191 LEU C C 191 179.373 179.373 178.933 0.440 19731 3220 1 3 . 1 1 191 191 LEU CA C 191 58.645 58.645 56.523 2.122 19731 3221 1 3 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.572 -0.070 19731 3222 1 3 . 1 1 191 191 LEU H H 191 8.624 8.624 7.929 0.695 19731 3223 1 3 . 1 1 192 192 HIS N N 192 113.452 113.452 117.270 -3.818 19731 3224 1 3 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.698 0.393 19731 3225 1 3 . 1 1 192 192 HIS C C 192 177.163 177.163 175.986 1.177 19731 3226 1 3 . 1 1 192 192 HIS CA C 192 57.001 57.001 57.611 -0.610 19731 3227 1 3 . 1 1 192 192 HIS CB C 192 28.351 28.351 29.984 -1.633 19731 3228 1 3 . 1 1 192 192 HIS H H 192 9.017 9.017 7.565 1.452 19731 3229 1 3 . 1 1 193 193 THR N N 193 110.077 110.077 112.955 -2.878 19731 3230 1 3 . 1 1 193 193 THR HA H 193 4.499 4.499 4.188 0.311 19731 3231 1 3 . 1 1 193 193 THR C C 193 174.053 174.053 173.821 0.232 19731 3232 1 3 . 1 1 193 193 THR CA C 193 62.011 62.011 62.821 -0.810 19731 3233 1 3 . 1 1 193 193 THR CB C 193 69.995 69.995 69.494 0.501 19731 3234 1 3 . 1 1 193 193 THR H H 193 7.632 7.632 7.751 -0.119 19731 3235 1 3 . 1 1 194 194 PHE N N 194 124.702 124.702 124.233 0.469 19731 3236 1 3 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.544 -0.095 19731 3237 1 3 . 1 1 194 194 PHE C C 194 175.640 175.640 173.349 2.291 19731 3238 1 3 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.278 1.993 19731 3239 1 3 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.306 -0.448 19731 3240 1 3 . 1 1 194 194 PHE H H 194 7.722 7.722 7.635 0.087 19731 3241 1 3 . 1 1 195 195 LYS N N 195 128.639 128.639 126.069 2.570 19731 3242 1 3 . 1 1 195 195 LYS HA H 195 4.195 4.195 5.421 -1.226 19731 3243 1 3 . 1 1 195 195 LYS C C 195 174.032 174.032 174.723 -0.691 19731 3244 1 3 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.768 2.685 19731 3245 1 3 . 1 1 195 195 LYS CB C 195 34.927 34.927 34.953 -0.026 19731 3246 1 3 . 1 1 195 195 LYS H H 195 7.615 7.615 7.893 -0.278 19731 3247 1 3 . 1 1 196 196 ALA N N 196 129.483 129.483 127.660 1.823 19731 3248 1 3 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.317 -0.038 19731 3249 1 3 . 1 1 196 196 ALA C C 196 175.619 175.619 176.018 -0.399 19731 3250 1 3 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.151 -0.003 19731 3251 1 3 . 1 1 196 196 ALA CB C 196 20.602 20.602 18.099 2.503 19731 3252 1 3 . 1 1 196 196 ALA H H 196 8.324 8.324 8.837 -0.513 19731 3253 1 4 . 1 1 2 2 VAL N N 2 122.420 122.420 118.955 3.465 19731 3254 1 4 . 1 1 2 2 VAL HA H 2 4.167 4.167 3.658 0.509 19731 3255 1 4 . 1 1 2 2 VAL C C 2 175.919 175.919 175.735 0.184 19731 3256 1 4 . 1 1 2 2 VAL CA C 2 62.167 62.167 64.361 -2.194 19731 3257 1 4 . 1 1 2 2 VAL CB C 2 33.109 33.109 31.302 1.807 19731 3258 1 4 . 1 1 2 2 VAL H H 2 8.260 8.260 8.489 -0.229 19731 3259 1 4 . 1 1 3 3 SER N N 3 119.915 119.915 115.617 4.298 19731 3260 1 4 . 1 1 3 3 SER HA H 3 4.134 4.134 4.317 -0.183 19731 3261 1 4 . 1 1 3 3 SER C C 3 173.731 173.731 173.407 0.324 19731 3262 1 4 . 1 1 3 3 SER CA C 3 58.253 58.253 58.653 -0.400 19731 3263 1 4 . 1 1 3 3 SER CB C 3 63.811 63.811 63.232 0.579 19731 3264 1 4 . 1 1 3 3 SER H H 3 8.381 8.381 8.377 0.004 19731 3265 1 4 . 1 1 4 4 GLN N N 4 123.810 123.810 123.430 0.380 19731 3266 1 4 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.779 -0.310 19731 3267 1 4 . 1 1 4 4 GLN C C 4 174.067 174.067 173.612 0.455 19731 3268 1 4 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.372 0.106 19731 3269 1 4 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.281 0.113 19731 3270 1 4 . 1 1 4 4 GLN H H 4 8.412 8.412 8.165 0.247 19731 3271 1 4 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.393 -0.047 19731 3272 1 4 . 1 1 5 5 PRO C C 5 176.242 176.242 175.899 0.343 19731 3273 1 4 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.901 1.427 19731 3274 1 4 . 1 1 5 5 PRO CB C 5 32.547 32.547 31.809 0.738 19731 3275 1 4 . 1 1 6 6 ILE N N 6 114.232 114.232 124.835 -10.603 19731 3276 1 4 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.771 0.400 19731 3277 1 4 . 1 1 6 6 ILE C C 6 175.577 175.577 175.946 -0.369 19731 3278 1 4 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.183 -3.147 19731 3279 1 4 . 1 1 6 6 ILE CB C 6 38.684 38.684 39.507 -0.823 19731 3280 1 4 . 1 1 6 6 ILE H H 6 7.745 7.745 8.163 -0.418 19731 3281 1 4 . 1 1 7 7 LYS N N 7 121.791 121.791 124.147 -2.356 19731 3282 1 4 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.087 0.401 19731 3283 1 4 . 1 1 7 7 LYS C C 7 175.898 175.898 176.611 -0.713 19731 3284 1 4 . 1 1 7 7 LYS CA C 7 56.766 56.766 58.640 -1.874 19731 3285 1 4 . 1 1 7 7 LYS CB C 7 37.281 37.281 33.535 3.747 19731 3286 1 4 . 1 1 7 7 LYS H H 7 9.462 9.462 8.029 1.433 19731 3287 1 4 . 1 1 8 8 LEU N N 8 122.642 122.642 111.643 10.999 19731 3288 1 4 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.445 -0.258 19731 3289 1 4 . 1 1 8 8 LEU C C 8 171.543 171.543 174.688 -3.145 19731 3290 1 4 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.696 -0.477 19731 3291 1 4 . 1 1 8 8 LEU CB C 8 45.875 45.875 46.230 -0.355 19731 3292 1 4 . 1 1 8 8 LEU H H 8 7.532 7.532 7.491 0.041 19731 3293 1 4 . 1 1 9 9 LEU N N 9 128.904 128.904 118.302 10.602 19731 3294 1 4 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.438 0.114 19731 3295 1 4 . 1 1 9 9 LEU C C 9 173.410 173.410 175.290 -1.880 19731 3296 1 4 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.633 0.430 19731 3297 1 4 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.985 0.578 19731 3298 1 4 . 1 1 9 9 LEU H H 9 8.900 8.900 8.530 0.370 19731 3299 1 4 . 1 1 10 10 VAL N N 10 126.431 126.431 116.480 9.951 19731 3300 1 4 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.245 0.099 19731 3301 1 4 . 1 1 10 10 VAL C C 10 174.353 174.353 175.103 -0.750 19731 3302 1 4 . 1 1 10 10 VAL CA C 10 58.880 58.880 58.931 -0.051 19731 3303 1 4 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.948 1.302 19731 3304 1 4 . 1 1 10 10 VAL H H 10 9.246 9.246 9.026 0.220 19731 3305 1 4 . 1 1 11 11 GLY N N 11 115.421 115.421 110.784 4.637 19731 3306 1 4 . 1 1 11 11 GLY C C 11 170.943 170.943 172.553 -1.610 19731 3307 1 4 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.813 1.359 19731 3308 1 4 . 1 1 11 11 GLY H H 11 8.738 8.738 8.741 -0.003 19731 3309 1 4 . 1 1 12 12 LEU N N 12 119.415 119.415 125.537 -6.122 19731 3310 1 4 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.758 -0.542 19731 3311 1 4 . 1 1 12 12 LEU C C 12 176.498 176.498 175.195 1.303 19731 3312 1 4 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.058 1.691 19731 3313 1 4 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.341 -2.013 19731 3314 1 4 . 1 1 12 12 LEU H H 12 7.423 7.423 8.373 -0.950 19731 3315 1 4 . 1 1 13 13 ALA N N 13 121.608 121.608 123.908 -2.300 19731 3316 1 4 . 1 1 13 13 ALA HA H 13 4.368 4.368 3.868 0.500 19731 3317 1 4 . 1 1 13 13 ALA C C 13 177.463 177.463 174.950 2.513 19731 3318 1 4 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.630 2.144 19731 3319 1 4 . 1 1 13 13 ALA CB C 13 25.641 25.641 20.935 4.706 19731 3320 1 4 . 1 1 13 13 ALA H H 13 8.627 8.627 7.961 0.666 19731 3321 1 4 . 1 1 14 14 ASN N N 14 116.827 116.827 118.839 -2.012 19731 3322 1 4 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.823 -0.419 19731 3323 1 4 . 1 1 14 14 ASN C C 14 173.431 173.431 174.942 -1.511 19731 3324 1 4 . 1 1 14 14 ASN CA C 14 51.052 51.052 52.291 -1.239 19731 3325 1 4 . 1 1 14 14 ASN CB C 14 40.484 40.484 37.815 2.669 19731 3326 1 4 . 1 1 14 14 ASN H H 14 8.896 8.896 8.267 0.629 19731 3327 1 4 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.194 0.163 19731 3328 1 4 . 1 1 17 17 PRO C C 17 179.073 179.073 178.155 0.918 19731 3329 1 4 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.722 0.450 19731 3330 1 4 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.136 -0.262 19731 3331 1 4 . 1 1 18 18 GLU N N 18 118.514 118.514 116.299 2.215 19731 3332 1 4 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.006 0.048 19731 3333 1 4 . 1 1 18 18 GLU C C 18 177.807 177.807 178.051 -0.244 19731 3334 1 4 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.807 -0.006 19731 3335 1 4 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.843 -0.413 19731 3336 1 4 . 1 1 18 18 GLU H H 18 9.729 9.729 8.642 1.087 19731 3337 1 4 . 1 1 19 19 TYR N N 19 115.421 115.421 116.635 -1.214 19731 3338 1 4 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.515 -1.088 19731 3339 1 4 . 1 1 19 19 TYR C C 19 177.549 177.549 177.327 0.222 19731 3340 1 4 . 1 1 19 19 TYR CA C 19 58.332 58.332 58.465 -0.133 19731 3341 1 4 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.534 1.167 19731 3342 1 4 . 1 1 19 19 TYR H H 19 7.268 7.268 7.408 -0.140 19731 3343 1 4 . 1 1 20 20 ALA N N 20 123.858 123.858 121.374 2.484 19731 3344 1 4 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.420 0.009 19731 3345 1 4 . 1 1 20 20 ALA C C 20 178.365 178.365 178.793 -0.428 19731 3346 1 4 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.889 2.094 19731 3347 1 4 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.912 0.829 19731 3348 1 4 . 1 1 20 20 ALA H H 20 7.245 7.245 8.122 -0.877 19731 3349 1 4 . 1 1 21 21 LYS N N 21 114.577 114.577 117.852 -3.275 19731 3350 1 4 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.401 0.382 19731 3351 1 4 . 1 1 21 21 LYS C C 21 176.541 176.541 175.859 0.682 19731 3352 1 4 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.116 -1.702 19731 3353 1 4 . 1 1 21 21 LYS CB C 21 32.109 32.109 30.409 1.700 19731 3354 1 4 . 1 1 21 21 LYS H H 21 8.894 8.894 7.757 1.137 19731 3355 1 4 . 1 1 22 22 THR N N 22 111.202 111.202 113.755 -2.553 19731 3356 1 4 . 1 1 22 22 THR HA H 22 4.495 4.495 4.595 -0.100 19731 3357 1 4 . 1 1 22 22 THR C C 22 175.277 175.277 174.014 1.263 19731 3358 1 4 . 1 1 22 22 THR CA C 22 61.306 61.306 59.977 1.329 19731 3359 1 4 . 1 1 22 22 THR CB C 22 72.109 72.109 70.742 1.367 19731 3360 1 4 . 1 1 22 22 THR H H 22 7.927 7.927 8.032 -0.105 19731 3361 1 4 . 1 1 23 23 ARG N N 23 119.639 119.639 120.339 -0.700 19731 3362 1 4 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.411 0.097 19731 3363 1 4 . 1 1 23 23 ARG C C 23 177.142 177.142 177.727 -0.585 19731 3364 1 4 . 1 1 23 23 ARG CA C 23 60.993 60.993 57.164 3.829 19731 3365 1 4 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.620 1.254 19731 3366 1 4 . 1 1 23 23 ARG H H 23 8.245 8.245 8.454 -0.209 19731 3367 1 4 . 1 1 24 24 HIS N N 24 115.140 115.140 118.441 -3.301 19731 3368 1 4 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.948 -1.020 19731 3369 1 4 . 1 1 24 24 HIS C C 24 173.109 173.109 174.549 -1.440 19731 3370 1 4 . 1 1 24 24 HIS CA C 24 53.870 53.870 56.166 -2.296 19731 3371 1 4 . 1 1 24 24 HIS CB C 24 29.003 29.003 28.066 0.937 19731 3372 1 4 . 1 1 24 24 HIS H H 24 8.245 8.245 8.330 -0.085 19731 3373 1 4 . 1 1 25 25 ASN N N 25 115.140 115.140 118.053 -2.913 19731 3374 1 4 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.791 -0.030 19731 3375 1 4 . 1 1 25 25 ASN C C 25 175.234 175.234 175.104 0.130 19731 3376 1 4 . 1 1 25 25 ASN CA C 25 52.148 52.148 51.998 0.150 19731 3377 1 4 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.612 -0.398 19731 3378 1 4 . 1 1 25 25 ASN H H 25 7.661 7.661 7.974 -0.313 19731 3379 1 4 . 1 1 26 26 ALA N N 26 120.764 120.764 124.114 -3.350 19731 3380 1 4 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.973 0.784 19731 3381 1 4 . 1 1 26 26 ALA C C 26 178.428 178.428 178.817 -0.389 19731 3382 1 4 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.574 -1.078 19731 3383 1 4 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.353 0.057 19731 3384 1 4 . 1 1 26 26 ALA H H 26 7.148 7.148 7.947 -0.799 19731 3385 1 4 . 1 1 27 27 GLY N N 27 100.254 100.254 104.800 -4.546 19731 3386 1 4 . 1 1 27 27 GLY C C 27 176.520 176.520 175.539 0.981 19731 3387 1 4 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.722 0.259 19731 3388 1 4 . 1 1 27 27 GLY H H 27 8.957 8.957 8.066 0.891 19731 3389 1 4 . 1 1 28 28 ALA N N 28 123.296 123.296 124.057 -0.761 19731 3390 1 4 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.410 -0.220 19731 3391 1 4 . 1 1 28 28 ALA C C 28 179.373 179.373 178.951 0.422 19731 3392 1 4 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.924 1.668 19731 3393 1 4 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.337 -0.005 19731 3394 1 4 . 1 1 28 28 ALA H H 28 7.090 7.090 7.321 -0.231 19731 3395 1 4 . 1 1 29 29 TRP N N 29 117.952 117.952 120.838 -2.886 19731 3396 1 4 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.384 0.333 19731 3397 1 4 . 1 1 29 29 TRP C C 29 179.973 179.973 178.275 1.698 19731 3398 1 4 . 1 1 29 29 TRP CA C 29 57.862 57.862 61.347 -3.485 19731 3399 1 4 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.232 -1.175 19731 3400 1 4 . 1 1 29 29 TRP H H 29 7.649 7.649 8.565 -0.916 19731 3401 1 4 . 1 1 30 30 VAL N N 30 116.082 116.082 115.149 0.933 19731 3402 1 4 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.862 -0.306 19731 3403 1 4 . 1 1 30 30 VAL C C 30 176.542 176.542 177.487 -0.945 19731 3404 1 4 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.830 0.330 19731 3405 1 4 . 1 1 30 30 VAL CB C 30 32.030 32.030 30.874 1.156 19731 3406 1 4 . 1 1 30 30 VAL H H 30 7.263 7.263 7.521 -0.258 19731 3407 1 4 . 1 1 31 31 VAL N N 31 118.514 118.514 115.804 2.710 19731 3408 1 4 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.883 -0.623 19731 3409 1 4 . 1 1 31 31 VAL C C 31 177.142 177.142 177.690 -0.548 19731 3410 1 4 . 1 1 31 31 VAL CA C 31 67.647 67.647 65.827 1.820 19731 3411 1 4 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.511 0.128 19731 3412 1 4 . 1 1 31 31 VAL H H 31 6.912 6.912 7.031 -0.119 19731 3413 1 4 . 1 1 32 32 GLU N N 32 117.882 117.882 119.379 -1.497 19731 3414 1 4 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.961 -0.170 19731 3415 1 4 . 1 1 32 32 GLU C C 32 179.715 179.715 178.332 1.383 19731 3416 1 4 . 1 1 32 32 GLU CA C 32 60.054 60.054 58.982 1.072 19731 3417 1 4 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.265 0.808 19731 3418 1 4 . 1 1 32 32 GLU H H 32 9.069 9.069 8.319 0.750 19731 3419 1 4 . 1 1 33 33 GLU N N 33 120.202 120.202 121.354 -1.152 19731 3420 1 4 . 1 1 33 33 GLU HA H 33 4.504 4.504 4.051 0.453 19731 3421 1 4 . 1 1 33 33 GLU C C 33 177.807 177.807 178.515 -0.708 19731 3422 1 4 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.917 -0.430 19731 3423 1 4 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.070 -0.093 19731 3424 1 4 . 1 1 33 33 GLU H H 33 7.967 7.967 7.517 0.450 19731 3425 1 4 . 1 1 34 34 LEU N N 34 121.046 121.046 120.017 1.029 19731 3426 1 4 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.867 0.156 19731 3427 1 4 . 1 1 34 34 LEU C C 34 178.429 178.429 179.127 -0.698 19731 3428 1 4 . 1 1 34 34 LEU CA C 34 58.422 58.422 58.047 0.375 19731 3429 1 4 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.431 1.010 19731 3430 1 4 . 1 1 34 34 LEU H H 34 8.297 8.297 7.630 0.667 19731 3431 1 4 . 1 1 35 35 ALA N N 35 118.233 118.233 121.489 -3.256 19731 3432 1 4 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.992 -0.125 19731 3433 1 4 . 1 1 35 35 ALA C C 35 178.729 178.729 179.151 -0.422 19731 3434 1 4 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.053 0.617 19731 3435 1 4 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.319 -1.162 19731 3436 1 4 . 1 1 35 35 ALA H H 35 8.450 8.450 7.865 0.585 19731 3437 1 4 . 1 1 36 36 ARG N N 36 118.796 118.796 118.137 0.659 19731 3438 1 4 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.140 -0.100 19731 3439 1 4 . 1 1 36 36 ARG C C 36 181.217 181.217 178.452 2.765 19731 3440 1 4 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.097 1.722 19731 3441 1 4 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.085 0.458 19731 3442 1 4 . 1 1 36 36 ARG H H 36 8.063 8.063 7.521 0.542 19731 3443 1 4 . 1 1 37 37 ILE N N 37 119.077 119.077 119.736 -0.659 19731 3444 1 4 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.925 -0.174 19731 3445 1 4 . 1 1 37 37 ILE C C 37 177.443 177.443 177.829 -0.386 19731 3446 1 4 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.672 0.688 19731 3447 1 4 . 1 1 37 37 ILE CB C 37 38.214 38.214 38.054 0.160 19731 3448 1 4 . 1 1 37 37 ILE H H 37 8.420 8.420 8.281 0.139 19731 3449 1 4 . 1 1 38 38 HIS N N 38 116.546 116.546 116.880 -0.334 19731 3450 1 4 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.500 -0.101 19731 3451 1 4 . 1 1 38 38 HIS C C 38 173.452 173.452 174.888 -1.436 19731 3452 1 4 . 1 1 38 38 HIS CA C 38 57.236 57.236 57.221 0.015 19731 3453 1 4 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.803 -1.105 19731 3454 1 4 . 1 1 38 38 HIS H H 38 7.635 7.635 8.081 -0.446 19731 3455 1 4 . 1 1 39 39 ASN N N 39 117.108 117.108 115.558 1.550 19731 3456 1 4 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.460 -0.108 19731 3457 1 4 . 1 1 39 39 ASN C C 39 174.310 174.310 174.066 0.244 19731 3458 1 4 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.641 1.012 19731 3459 1 4 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.251 0.102 19731 3460 1 4 . 1 1 39 39 ASN H H 39 7.942 7.942 7.883 0.059 19731 3461 1 4 . 1 1 40 40 VAL N N 40 119.921 119.921 117.116 2.805 19731 3462 1 4 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.118 0.098 19731 3463 1 4 . 1 1 40 40 VAL C C 40 175.361 175.361 175.967 -0.606 19731 3464 1 4 . 1 1 40 40 VAL CA C 40 61.776 61.776 62.947 -1.171 19731 3465 1 4 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.245 0.977 19731 3466 1 4 . 1 1 40 40 VAL H H 40 8.578 8.578 7.508 1.070 19731 3467 1 4 . 1 1 41 41 THR N N 41 123.878 123.878 123.869 0.009 19731 3468 1 4 . 1 1 41 41 THR HA H 41 4.231 4.231 4.364 -0.133 19731 3469 1 4 . 1 1 41 41 THR C C 41 174.033 174.033 174.207 -0.174 19731 3470 1 4 . 1 1 41 41 THR CA C 41 61.776 61.776 62.417 -0.641 19731 3471 1 4 . 1 1 41 41 THR CB C 41 69.525 69.525 68.622 0.903 19731 3472 1 4 . 1 1 41 41 THR H H 41 8.617 8.617 8.526 0.091 19731 3473 1 4 . 1 1 42 42 LEU N N 42 128.639 128.639 128.856 -0.217 19731 3474 1 4 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.372 -0.035 19731 3475 1 4 . 1 1 42 42 LEU C C 42 175.919 175.919 176.812 -0.893 19731 3476 1 4 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.939 -0.130 19731 3477 1 4 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.785 1.108 19731 3478 1 4 . 1 1 42 42 LEU H H 42 8.783 8.783 8.555 0.228 19731 3479 1 4 . 1 1 43 43 LYS N N 43 122.452 122.452 125.587 -3.135 19731 3480 1 4 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.588 0.001 19731 3481 1 4 . 1 1 43 43 LYS C C 43 175.619 175.619 175.438 0.181 19731 3482 1 4 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.871 -0.375 19731 3483 1 4 . 1 1 43 43 LYS CB C 43 35.944 35.944 33.879 2.065 19731 3484 1 4 . 1 1 43 43 LYS H H 43 8.738 8.738 9.081 -0.343 19731 3485 1 4 . 1 1 44 44 ASN N N 44 123.014 123.014 124.369 -1.355 19731 3486 1 4 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.801 -0.221 19731 3487 1 4 . 1 1 44 44 ASN C C 44 174.718 174.718 175.052 -0.334 19731 3488 1 4 . 1 1 44 44 ASN CA C 44 54.484 54.484 53.474 1.010 19731 3489 1 4 . 1 1 44 44 ASN CB C 44 38.840 38.840 39.280 -0.440 19731 3490 1 4 . 1 1 44 44 ASN H H 44 8.906 8.906 8.873 0.033 19731 3491 1 4 . 1 1 45 45 GLU N N 45 128.921 128.921 122.871 6.050 19731 3492 1 4 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.794 -0.420 19731 3493 1 4 . 1 1 45 45 GLU C C 45 173.731 173.731 175.135 -1.404 19731 3494 1 4 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.949 0.295 19731 3495 1 4 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.563 1.076 19731 3496 1 4 . 1 1 45 45 GLU H H 45 8.675 8.675 8.682 -0.007 19731 3497 1 4 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.468 -0.480 19731 3498 1 4 . 1 1 46 46 PRO C C 46 175.298 175.298 177.084 -1.786 19731 3499 1 4 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.853 0.132 19731 3500 1 4 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.928 0.102 19731 3501 1 4 . 1 1 47 47 LYS N N 47 115.793 115.793 116.447 -0.654 19731 3502 1 4 . 1 1 47 47 LYS HA H 47 3.518 3.518 4.108 -0.590 19731 3503 1 4 . 1 1 47 47 LYS C C 47 174.998 174.998 178.192 -3.194 19731 3504 1 4 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.619 -0.757 19731 3505 1 4 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.553 -0.992 19731 3506 1 4 . 1 1 47 47 LYS H H 47 8.239 8.239 8.209 0.030 19731 3507 1 4 . 1 1 48 48 PHE N N 48 114.577 114.577 115.897 -1.320 19731 3508 1 4 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.638 0.252 19731 3509 1 4 . 1 1 48 48 PHE C C 48 172.810 172.810 176.699 -3.889 19731 3510 1 4 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.300 -2.430 19731 3511 1 4 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.760 -0.059 19731 3512 1 4 . 1 1 48 48 PHE H H 48 7.398 7.398 7.268 0.130 19731 3513 1 4 . 1 1 49 49 PHE N N 49 110.358 110.358 116.681 -6.323 19731 3514 1 4 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.157 -0.305 19731 3515 1 4 . 1 1 49 49 PHE C C 49 175.298 175.298 173.620 1.678 19731 3516 1 4 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.683 -0.664 19731 3517 1 4 . 1 1 49 49 PHE CB C 49 36.431 36.431 38.049 -1.618 19731 3518 1 4 . 1 1 49 49 PHE H H 49 6.923 6.923 8.857 -1.934 19731 3519 1 4 . 1 1 50 50 GLY N N 50 136.915 136.915 104.779 32.136 19731 3520 1 4 . 1 1 50 50 GLY C C 50 170.643 170.643 171.679 -1.036 19731 3521 1 4 . 1 1 50 50 GLY CA C 50 47.138 47.138 43.621 3.517 19731 3522 1 4 . 1 1 50 50 GLY H H 50 6.836 6.836 7.628 -0.792 19731 3523 1 4 . 1 1 51 51 LEU N N 51 119.282 119.282 121.086 -1.804 19731 3524 1 4 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.714 0.123 19731 3525 1 4 . 1 1 51 51 LEU C C 51 177.164 177.164 175.631 1.533 19731 3526 1 4 . 1 1 51 51 LEU CA C 51 53.087 53.087 53.652 -0.565 19731 3527 1 4 . 1 1 51 51 LEU CB C 51 44.163 44.163 44.066 0.097 19731 3528 1 4 . 1 1 51 51 LEU H H 51 8.692 8.692 8.598 0.094 19731 3529 1 4 . 1 1 52 52 THR N N 52 112.608 112.608 118.686 -6.078 19731 3530 1 4 . 1 1 52 52 THR HA H 52 5.529 5.529 5.522 0.007 19731 3531 1 4 . 1 1 52 52 THR C C 52 173.732 173.732 174.085 -0.353 19731 3532 1 4 . 1 1 52 52 THR CA C 52 59.036 59.036 59.559 -0.523 19731 3533 1 4 . 1 1 52 52 THR CB C 52 72.578 72.578 71.939 0.639 19731 3534 1 4 . 1 1 52 52 THR H H 52 9.230 9.230 9.098 0.132 19731 3535 1 4 . 1 1 53 53 GLY N N 53 105.858 105.858 108.920 -3.062 19731 3536 1 4 . 1 1 53 53 GLY C C 53 171.545 171.545 171.468 0.077 19731 3537 1 4 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.446 0.578 19731 3538 1 4 . 1 1 53 53 GLY H H 53 7.881 7.881 9.122 -1.241 19731 3539 1 4 . 1 1 54 54 ARG N N 54 122.128 122.128 122.143 -0.015 19731 3540 1 4 . 1 1 54 54 ARG HA H 54 4.861 4.861 5.063 -0.202 19731 3541 1 4 . 1 1 54 54 ARG C C 54 172.767 172.767 174.278 -1.511 19731 3542 1 4 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.493 0.256 19731 3543 1 4 . 1 1 54 54 ARG CB C 54 32.813 32.813 31.870 0.942 19731 3544 1 4 . 1 1 54 54 ARG H H 54 8.627 8.627 8.524 0.103 19731 3545 1 4 . 1 1 55 55 LEU N N 55 125.264 125.264 126.767 -1.503 19731 3546 1 4 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.362 0.222 19731 3547 1 4 . 1 1 55 55 LEU C C 55 174.011 174.011 175.391 -1.380 19731 3548 1 4 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.585 0.520 19731 3549 1 4 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.722 0.520 19731 3550 1 4 . 1 1 55 55 LEU H H 55 8.968 8.968 9.167 -0.199 19731 3551 1 4 . 1 1 56 56 LEU N N 56 123.577 123.577 126.148 -2.571 19731 3552 1 4 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.678 0.342 19731 3553 1 4 . 1 1 56 56 LEU C C 56 176.263 176.263 176.134 0.129 19731 3554 1 4 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.528 -0.840 19731 3555 1 4 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.802 0.892 19731 3556 1 4 . 1 1 56 56 LEU H H 56 8.405 8.405 8.205 0.200 19731 3557 1 4 . 1 1 57 57 ILE N N 57 123.748 123.748 127.838 -4.090 19731 3558 1 4 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.279 -0.069 19731 3559 1 4 . 1 1 57 57 ILE C C 57 175.655 175.655 175.593 0.062 19731 3560 1 4 . 1 1 57 57 ILE CA C 57 60.132 60.132 60.139 -0.007 19731 3561 1 4 . 1 1 57 57 ILE CB C 57 40.484 40.484 38.334 2.150 19731 3562 1 4 . 1 1 57 57 ILE H H 57 8.617 8.617 8.906 -0.289 19731 3563 1 4 . 1 1 58 58 ASN N N 58 127.486 127.486 126.959 0.527 19731 3564 1 4 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.250 0.072 19731 3565 1 4 . 1 1 58 58 ASN C C 58 174.976 174.976 174.928 0.048 19731 3566 1 4 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.756 -0.990 19731 3567 1 4 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.634 0.111 19731 3568 1 4 . 1 1 58 58 ASN H H 58 9.489 9.489 9.003 0.486 19731 3569 1 4 . 1 1 59 59 SER N N 59 106.702 106.702 113.316 -6.614 19731 3570 1 4 . 1 1 59 59 SER HA H 59 3.833 3.833 4.505 -0.672 19731 3571 1 4 . 1 1 59 59 SER C C 59 172.510 172.510 173.555 -1.045 19731 3572 1 4 . 1 1 59 59 SER CA C 59 60.445 60.445 58.264 2.181 19731 3573 1 4 . 1 1 59 59 SER CB C 59 62.246 62.246 65.337 -3.091 19731 3574 1 4 . 1 1 59 59 SER H H 59 8.664 8.664 8.300 0.364 19731 3575 1 4 . 1 1 60 60 GLN N N 60 120.764 120.764 123.051 -2.287 19731 3576 1 4 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.487 0.003 19731 3577 1 4 . 1 1 60 60 GLN C C 60 174.310 174.310 174.074 0.236 19731 3578 1 4 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.641 -0.458 19731 3579 1 4 . 1 1 60 60 GLN CB C 60 31.169 31.169 31.052 0.117 19731 3580 1 4 . 1 1 60 60 GLN H H 60 7.925 7.925 7.639 0.286 19731 3581 1 4 . 1 1 61 61 GLU N N 61 122.452 122.452 126.101 -3.649 19731 3582 1 4 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.506 0.120 19731 3583 1 4 . 1 1 61 61 GLU C C 61 174.932 174.932 174.993 -0.061 19731 3584 1 4 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.728 0.099 19731 3585 1 4 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.768 1.871 19731 3586 1 4 . 1 1 61 61 GLU H H 61 8.613 8.613 8.760 -0.147 19731 3587 1 4 . 1 1 62 62 LEU N N 62 129.483 129.483 124.956 4.527 19731 3588 1 4 . 1 1 62 62 LEU HA H 62 4.483 4.483 5.096 -0.613 19731 3589 1 4 . 1 1 62 62 LEU C C 62 175.276 175.276 174.916 0.360 19731 3590 1 4 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.429 0.284 19731 3591 1 4 . 1 1 62 62 LEU CB C 62 45.416 45.416 45.991 -0.575 19731 3592 1 4 . 1 1 62 62 LEU H H 62 9.131 9.131 9.029 0.102 19731 3593 1 4 . 1 1 63 63 ARG N N 63 125.546 125.546 124.607 0.939 19731 3594 1 4 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.159 -0.275 19731 3595 1 4 . 1 1 63 63 ARG C C 63 174.998 174.998 175.046 -0.048 19731 3596 1 4 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.845 1.138 19731 3597 1 4 . 1 1 63 63 ARG CB C 63 31.013 31.013 32.276 -1.263 19731 3598 1 4 . 1 1 63 63 ARG H H 63 7.802 7.802 9.008 -1.206 19731 3599 1 4 . 1 1 64 64 VAL N N 64 112.608 112.608 119.983 -7.375 19731 3600 1 4 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.417 0.423 19731 3601 1 4 . 1 1 64 64 VAL C C 64 174.353 174.353 173.420 0.933 19731 3602 1 4 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.239 -1.455 19731 3603 1 4 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.681 -0.754 19731 3604 1 4 . 1 1 64 64 VAL H H 64 8.199 8.199 8.879 -0.680 19731 3605 1 4 . 1 1 65 65 LEU N N 65 122.279 122.279 129.431 -7.152 19731 3606 1 4 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.466 0.060 19731 3607 1 4 . 1 1 65 65 LEU C C 65 174.353 174.353 174.260 0.093 19731 3608 1 4 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.672 -0.116 19731 3609 1 4 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.385 1.302 19731 3610 1 4 . 1 1 65 65 LEU H H 65 8.163 8.163 8.345 -0.182 19731 3611 1 4 . 1 1 66 66 ILE N N 66 126.952 126.952 126.517 0.435 19731 3612 1 4 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.272 -0.150 19731 3613 1 4 . 1 1 66 66 ILE C C 66 173.817 173.817 173.394 0.423 19731 3614 1 4 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.860 1.707 19731 3615 1 4 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.808 0.007 19731 3616 1 4 . 1 1 66 66 ILE H H 66 9.131 9.131 9.117 0.014 19731 3617 1 4 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.681 -0.173 19731 3618 1 4 . 1 1 67 67 PRO C C 67 177.786 177.786 176.552 1.234 19731 3619 1 4 . 1 1 67 67 PRO CA C 67 63.203 63.203 63.034 0.169 19731 3620 1 4 . 1 1 67 67 PRO CB C 67 33.109 33.109 31.874 1.235 19731 3621 1 4 . 1 1 68 68 THR N N 68 115.421 115.421 116.515 -1.094 19731 3622 1 4 . 1 1 68 68 THR HA H 68 4.370 4.370 4.084 0.286 19731 3623 1 4 . 1 1 68 68 THR C C 68 174.054 174.054 175.989 -1.935 19731 3624 1 4 . 1 1 68 68 THR CA C 68 60.445 60.445 65.254 -4.809 19731 3625 1 4 . 1 1 68 68 THR CB C 68 67.177 67.177 68.543 -1.366 19731 3626 1 4 . 1 1 68 68 THR H H 68 9.645 9.645 8.080 1.565 19731 3627 1 4 . 1 1 69 69 THR N N 69 110.954 110.954 119.891 -8.937 19731 3628 1 4 . 1 1 69 69 THR HA H 69 4.065 4.065 4.501 -0.436 19731 3629 1 4 . 1 1 69 69 THR C C 69 177.184 177.184 174.504 2.680 19731 3630 1 4 . 1 1 69 69 THR CA C 69 62.011 62.011 61.595 0.416 19731 3631 1 4 . 1 1 69 69 THR CB C 69 71.013 71.013 68.416 2.597 19731 3632 1 4 . 1 1 69 69 THR H H 69 7.063 7.063 8.219 -1.156 19731 3633 1 4 . 1 1 70 70 PHE N N 70 111.483 111.483 123.700 -12.217 19731 3634 1 4 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.403 -0.147 19731 3635 1 4 . 1 1 70 70 PHE C C 70 179.029 179.029 175.650 3.379 19731 3636 1 4 . 1 1 70 70 PHE CA C 70 62.559 62.559 59.441 3.118 19731 3637 1 4 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.244 0.127 19731 3638 1 4 . 1 1 70 70 PHE H H 70 8.033 8.033 8.568 -0.535 19731 3639 1 4 . 1 1 71 71 MET N N 71 121.809 121.809 119.295 2.514 19731 3640 1 4 . 1 1 71 71 MET HA H 71 4.055 4.055 4.220 -0.165 19731 3641 1 4 . 1 1 71 71 MET C C 71 179.372 179.372 177.109 2.263 19731 3642 1 4 . 1 1 71 71 MET CA C 71 58.488 58.488 58.149 0.339 19731 3643 1 4 . 1 1 71 71 MET CB C 71 31.036 31.036 31.360 -0.324 19731 3644 1 4 . 1 1 71 71 MET H H 71 8.671 8.671 7.829 0.842 19731 3645 1 4 . 1 1 72 72 ASN N N 72 115.648 115.648 115.378 0.270 19731 3646 1 4 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.582 -0.425 19731 3647 1 4 . 1 1 72 72 ASN C C 72 173.454 173.454 177.414 -3.960 19731 3648 1 4 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.115 -0.306 19731 3649 1 4 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.948 -2.143 19731 3650 1 4 . 1 1 72 72 ASN H H 72 8.817 8.817 7.980 0.837 19731 3651 1 4 . 1 1 73 73 LEU N N 73 119.077 119.077 119.838 -0.761 19731 3652 1 4 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.460 0.513 19731 3653 1 4 . 1 1 73 73 LEU C C 73 177.485 177.485 177.822 -0.337 19731 3654 1 4 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.348 -1.478 19731 3655 1 4 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.096 2.441 19731 3656 1 4 . 1 1 73 73 LEU H H 73 7.362 7.362 7.812 -0.450 19731 3657 1 4 . 1 1 74 74 SER N N 74 114.067 114.067 117.482 -3.415 19731 3658 1 4 . 1 1 74 74 SER HA H 74 4.084 4.084 4.196 -0.112 19731 3659 1 4 . 1 1 74 74 SER C C 74 175.640 175.640 176.792 -1.152 19731 3660 1 4 . 1 1 74 74 SER CA C 74 63.498 63.498 61.892 1.607 19731 3661 1 4 . 1 1 74 74 SER CB C 74 66.081 66.081 62.234 3.847 19731 3662 1 4 . 1 1 74 74 SER H H 74 7.499 7.499 7.759 -0.260 19731 3663 1 4 . 1 1 75 75 GLY N N 75 107.827 107.827 109.634 -1.807 19731 3664 1 4 . 1 1 75 75 GLY C C 75 174.954 174.954 175.981 -1.027 19731 3665 1 4 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.427 1.572 19731 3666 1 4 . 1 1 75 75 GLY H H 75 10.017 10.017 8.137 1.880 19731 3667 1 4 . 1 1 76 76 LYS N N 76 120.250 120.250 122.267 -2.017 19731 3668 1 4 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.971 0.002 19731 3669 1 4 . 1 1 76 76 LYS C C 76 179.051 179.051 178.669 0.382 19731 3670 1 4 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.322 -0.051 19731 3671 1 4 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.126 0.687 19731 3672 1 4 . 1 1 76 76 LYS H H 76 7.975 7.975 7.765 0.210 19731 3673 1 4 . 1 1 77 77 ALA N N 77 121.046 121.046 121.869 -0.823 19731 3674 1 4 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.461 -0.023 19731 3675 1 4 . 1 1 77 77 ALA C C 77 177.463 177.463 179.394 -1.931 19731 3676 1 4 . 1 1 77 77 ALA CA C 77 54.966 54.966 54.875 0.091 19731 3677 1 4 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.701 2.057 19731 3678 1 4 . 1 1 77 77 ALA H H 77 6.824 6.824 7.682 -0.858 19731 3679 1 4 . 1 1 78 78 ILE N N 78 115.422 115.422 118.478 -3.056 19731 3680 1 4 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.616 -0.494 19731 3681 1 4 . 1 1 78 78 ILE C C 78 177.163 177.163 177.534 -0.371 19731 3682 1 4 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.219 1.627 19731 3683 1 4 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.598 1.556 19731 3684 1 4 . 1 1 78 78 ILE H H 78 7.124 7.124 7.419 -0.295 19731 3685 1 4 . 1 1 79 79 ALA N N 79 117.952 117.952 123.585 -5.633 19731 3686 1 4 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.860 0.076 19731 3687 1 4 . 1 1 79 79 ALA C C 79 179.329 179.329 179.164 0.165 19731 3688 1 4 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.393 -0.349 19731 3689 1 4 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.971 0.439 19731 3690 1 4 . 1 1 79 79 ALA H H 79 8.644 8.644 8.367 0.277 19731 3691 1 4 . 1 1 80 80 ALA N N 80 118.796 118.796 120.109 -1.313 19731 3692 1 4 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.191 0.116 19731 3693 1 4 . 1 1 80 80 ALA C C 80 180.616 180.616 179.214 1.402 19731 3694 1 4 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.562 1.030 19731 3695 1 4 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.751 -0.028 19731 3696 1 4 . 1 1 80 80 ALA H H 80 7.442 7.442 7.742 -0.300 19731 3697 1 4 . 1 1 81 81 LEU N N 81 119.878 119.878 120.514 -0.636 19731 3698 1 4 . 1 1 81 81 LEU HA H 81 3.604 3.604 4.094 -0.490 19731 3699 1 4 . 1 1 81 81 LEU C C 81 178.750 178.750 178.497 0.253 19731 3700 1 4 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.632 1.639 19731 3701 1 4 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.322 1.276 19731 3702 1 4 . 1 1 81 81 LEU H H 81 7.953 7.953 7.258 0.695 19731 3703 1 4 . 1 1 82 82 ALA N N 82 120.764 120.764 119.040 1.724 19731 3704 1 4 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.853 0.030 19731 3705 1 4 . 1 1 82 82 ALA C C 82 180.273 180.273 178.750 1.523 19731 3706 1 4 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.925 1.215 19731 3707 1 4 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.115 -0.879 19731 3708 1 4 . 1 1 82 82 ALA H H 82 8.906 8.906 8.279 0.627 19731 3709 1 4 . 1 1 83 83 ASN N N 83 113.733 113.733 118.441 -4.708 19731 3710 1 4 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.534 -0.008 19731 3711 1 4 . 1 1 83 83 ASN C C 83 178.085 178.085 178.068 0.017 19731 3712 1 4 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.259 -0.432 19731 3713 1 4 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.774 -0.403 19731 3714 1 4 . 1 1 83 83 ASN H H 83 8.644 8.644 7.567 1.077 19731 3715 1 4 . 1 1 84 84 PHE N N 84 121.327 121.327 119.484 1.843 19731 3716 1 4 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.440 -0.379 19731 3717 1 4 . 1 1 84 84 PHE C C 84 177.164 177.164 176.971 0.193 19731 3718 1 4 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.274 1.815 19731 3719 1 4 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.461 1.945 19731 3720 1 4 . 1 1 84 84 PHE H H 84 7.621 7.621 8.425 -0.804 19731 3721 1 4 . 1 1 85 85 TYR N N 85 112.890 112.890 118.879 -5.989 19731 3722 1 4 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.113 0.394 19731 3723 1 4 . 1 1 85 85 TYR C C 85 173.732 173.732 174.579 -0.847 19731 3724 1 4 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.267 -0.074 19731 3725 1 4 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.800 1.119 19731 3726 1 4 . 1 1 85 85 TYR H H 85 7.578 7.578 7.131 0.447 19731 3727 1 4 . 1 1 86 86 GLN N N 86 117.671 117.671 112.100 5.571 19731 3728 1 4 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.936 0.007 19731 3729 1 4 . 1 1 86 86 GLN C C 86 174.675 174.675 174.930 -0.255 19731 3730 1 4 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.576 0.660 19731 3731 1 4 . 1 1 86 86 GLN CB C 86 25.846 25.846 25.552 0.294 19731 3732 1 4 . 1 1 86 86 GLN H H 86 7.691 7.691 7.668 0.023 19731 3733 1 4 . 1 1 87 87 ILE N N 87 122.171 122.171 118.020 4.151 19731 3734 1 4 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.162 -0.165 19731 3735 1 4 . 1 1 87 87 ILE C C 87 175.597 175.597 176.379 -0.782 19731 3736 1 4 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.027 2.592 19731 3737 1 4 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.892 2.592 19731 3738 1 4 . 1 1 87 87 ILE H H 87 8.786 8.786 7.376 1.410 19731 3739 1 4 . 1 1 88 88 LYS N N 88 128.639 128.639 127.579 1.060 19731 3740 1 4 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.680 -0.759 19731 3741 1 4 . 1 1 88 88 LYS CA C 88 54.887 54.887 53.697 1.190 19731 3742 1 4 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.683 -0.044 19731 3743 1 4 . 1 1 88 88 LYS H H 88 8.957 8.957 8.522 0.435 19731 3744 1 4 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.228 -0.208 19731 3745 1 4 . 1 1 89 89 PRO C C 89 176.542 176.542 178.361 -1.819 19731 3746 1 4 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.682 0.615 19731 3747 1 4 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.284 0.419 19731 3748 1 4 . 1 1 90 90 GLU N N 90 111.202 111.202 117.946 -6.744 19731 3749 1 4 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.308 0.000 19731 3750 1 4 . 1 1 90 90 GLU C C 90 176.241 176.241 177.641 -1.400 19731 3751 1 4 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.893 0.143 19731 3752 1 4 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.512 -0.004 19731 3753 1 4 . 1 1 90 90 GLU H H 90 9.328 9.328 8.891 0.437 19731 3754 1 4 . 1 1 91 91 GLU N N 91 116.265 116.265 117.045 -0.780 19731 3755 1 4 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.748 0.184 19731 3756 1 4 . 1 1 91 91 GLU C C 91 175.254 175.254 174.361 0.893 19731 3757 1 4 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.118 -0.465 19731 3758 1 4 . 1 1 91 91 GLU CB C 91 30.856 30.856 31.326 -0.470 19731 3759 1 4 . 1 1 91 91 GLU H H 91 8.101 8.101 8.221 -0.120 19731 3760 1 4 . 1 1 92 92 ILE N N 92 122.683 122.683 121.361 1.322 19731 3761 1 4 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.713 -0.479 19731 3762 1 4 . 1 1 92 92 ILE C C 92 173.710 173.710 174.555 -0.845 19731 3763 1 4 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.396 1.441 19731 3764 1 4 . 1 1 92 92 ILE CB C 92 40.171 40.171 38.589 1.582 19731 3765 1 4 . 1 1 92 92 ILE H H 92 8.042 8.042 7.906 0.136 19731 3766 1 4 . 1 1 93 93 MET N N 93 125.264 125.264 126.398 -1.134 19731 3767 1 4 . 1 1 93 93 MET HA H 93 5.215 5.215 5.471 -0.256 19731 3768 1 4 . 1 1 93 93 MET C C 93 173.454 173.454 175.049 -1.595 19731 3769 1 4 . 1 1 93 93 MET CA C 93 53.322 53.322 54.381 -1.059 19731 3770 1 4 . 1 1 93 93 MET CB C 93 36.570 36.570 36.841 -0.271 19731 3771 1 4 . 1 1 93 93 MET H H 93 9.187 9.187 8.676 0.511 19731 3772 1 4 . 1 1 94 94 VAL N N 94 128.639 128.639 120.699 7.940 19731 3773 1 4 . 1 1 94 94 VAL HA H 94 4.598 4.598 4.927 -0.329 19731 3774 1 4 . 1 1 94 94 VAL C C 94 174.675 174.675 174.011 0.664 19731 3775 1 4 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.905 0.401 19731 3776 1 4 . 1 1 94 94 VAL CB C 94 33.518 33.518 35.065 -1.547 19731 3777 1 4 . 1 1 94 94 VAL H H 94 9.406 9.406 8.621 0.785 19731 3778 1 4 . 1 1 95 95 ALA N N 95 132.577 132.577 129.319 3.258 19731 3779 1 4 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.741 -0.006 19731 3780 1 4 . 1 1 95 95 ALA C C 95 175.640 175.640 175.624 0.016 19731 3781 1 4 . 1 1 95 95 ALA CA C 95 50.191 50.191 49.937 0.254 19731 3782 1 4 . 1 1 95 95 ALA CB C 95 20.210 20.210 22.099 -1.889 19731 3783 1 4 . 1 1 95 95 ALA H H 95 10.008 10.008 9.300 0.708 19731 3784 1 4 . 1 1 96 96 HIS N N 96 119.077 119.077 119.330 -0.253 19731 3785 1 4 . 1 1 96 96 HIS HA H 96 5.347 5.347 4.900 0.447 19731 3786 1 4 . 1 1 96 96 HIS C C 96 171.543 171.543 173.242 -1.699 19731 3787 1 4 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.902 -1.032 19731 3788 1 4 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.113 0.465 19731 3789 1 4 . 1 1 96 96 HIS H H 96 8.972 8.972 8.115 0.857 19731 3790 1 4 . 1 1 97 97 ASP N N 97 115.983 115.983 120.924 -4.941 19731 3791 1 4 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.251 0.444 19731 3792 1 4 . 1 1 97 97 ASP C C 97 178.064 178.064 175.155 2.909 19731 3793 1 4 . 1 1 97 97 ASP CA C 97 53.635 53.635 55.652 -2.017 19731 3794 1 4 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.763 -0.514 19731 3795 1 4 . 1 1 97 97 ASP H H 97 10.517 10.517 8.174 2.343 19731 3796 1 4 . 1 1 98 98 GLU N N 98 127.233 127.233 126.776 0.457 19731 3797 1 4 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.512 0.643 19731 3798 1 4 . 1 1 98 98 GLU C C 98 174.932 174.932 176.339 -1.407 19731 3799 1 4 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.173 -1.538 19731 3800 1 4 . 1 1 98 98 GLU CB C 98 33.439 33.439 32.185 1.254 19731 3801 1 4 . 1 1 98 98 GLU H H 98 9.194 9.194 7.777 1.417 19731 3802 1 4 . 1 1 99 99 LEU N N 99 132.858 132.858 124.537 8.321 19731 3803 1 4 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.332 0.294 19731 3804 1 4 . 1 1 99 99 LEU C C 99 178.128 178.128 177.205 0.923 19731 3805 1 4 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.644 1.357 19731 3806 1 4 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.250 3.305 19731 3807 1 4 . 1 1 99 99 LEU H H 99 8.692 8.692 8.731 -0.039 19731 3808 1 4 . 1 1 100 100 ASP N N 100 113.733 113.733 120.133 -6.400 19731 3809 1 4 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.457 0.154 19731 3810 1 4 . 1 1 100 100 ASP C C 100 175.276 175.276 176.188 -0.912 19731 3811 1 4 . 1 1 100 100 ASP CA C 100 54.966 54.966 56.115 -1.149 19731 3812 1 4 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.094 -0.218 19731 3813 1 4 . 1 1 100 100 ASP H H 100 9.191 9.191 8.329 0.863 19731 3814 1 4 . 1 1 101 101 LEU N N 101 119.932 119.932 121.057 -1.125 19731 3815 1 4 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.857 -0.056 19731 3816 1 4 . 1 1 101 101 LEU C C 101 172.522 172.522 174.799 -2.277 19731 3817 1 4 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.823 -0.458 19731 3818 1 4 . 1 1 101 101 LEU CB C 101 45.338 45.338 42.625 2.713 19731 3819 1 4 . 1 1 101 101 LEU H H 101 7.427 7.427 7.382 0.045 19731 3820 1 4 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.361 0.120 19731 3821 1 4 . 1 1 103 103 PRO C C 103 178.429 178.429 176.987 1.442 19731 3822 1 4 . 1 1 103 103 PRO CA C 103 62.922 62.922 62.865 0.057 19731 3823 1 4 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.095 0.327 19731 3824 1 4 . 1 1 104 104 GLY N N 104 113.733 113.733 113.880 -0.147 19731 3825 1 4 . 1 1 104 104 GLY C C 104 172.144 172.144 172.722 -0.578 19731 3826 1 4 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.325 0.639 19731 3827 1 4 . 1 1 104 104 GLY H H 104 9.826 9.826 9.011 0.815 19731 3828 1 4 . 1 1 105 105 VAL N N 105 116.265 116.265 114.105 2.160 19731 3829 1 4 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.060 -0.356 19731 3830 1 4 . 1 1 105 105 VAL C C 105 174.654 174.654 173.422 1.232 19731 3831 1 4 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.025 1.498 19731 3832 1 4 . 1 1 105 105 VAL CB C 105 34.927 34.927 34.491 0.436 19731 3833 1 4 . 1 1 105 105 VAL H H 105 7.518 7.518 7.203 0.315 19731 3834 1 4 . 1 1 106 106 ALA N N 106 129.764 129.764 127.695 2.069 19731 3835 1 4 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.377 0.038 19731 3836 1 4 . 1 1 106 106 ALA C C 106 174.954 174.954 176.042 -1.088 19731 3837 1 4 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.201 1.320 19731 3838 1 4 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.131 1.602 19731 3839 1 4 . 1 1 106 106 ALA H H 106 9.484 9.484 8.466 1.018 19731 3840 1 4 . 1 1 107 107 LYS N N 107 113.733 113.733 121.053 -7.320 19731 3841 1 4 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.444 0.477 19731 3842 1 4 . 1 1 107 107 LYS C C 107 176.262 176.262 174.569 1.693 19731 3843 1 4 . 1 1 107 107 LYS CA C 107 54.574 54.574 54.939 -0.365 19731 3844 1 4 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.232 3.391 19731 3845 1 4 . 1 1 107 107 LYS H H 107 8.184 8.184 7.955 0.229 19731 3846 1 4 . 1 1 108 108 PHE N N 108 122.733 122.733 125.427 -2.694 19731 3847 1 4 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.679 1.342 19731 3848 1 4 . 1 1 108 108 PHE C C 108 177.828 177.828 174.742 3.086 19731 3849 1 4 . 1 1 108 108 PHE CA C 108 56.688 56.688 57.683 -0.995 19731 3850 1 4 . 1 1 108 108 PHE CB C 108 42.128 42.128 41.165 0.963 19731 3851 1 4 . 1 1 108 108 PHE H H 108 11.610 11.610 8.422 3.188 19731 3852 1 4 . 1 1 109 109 LYS N N 109 122.733 122.733 128.363 -5.630 19731 3853 1 4 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.571 0.032 19731 3854 1 4 . 1 1 109 109 LYS C C 109 173.152 173.152 174.041 -0.889 19731 3855 1 4 . 1 1 109 109 LYS CA C 109 56.218 56.218 53.809 2.409 19731 3856 1 4 . 1 1 109 109 LYS CB C 109 38.449 38.449 35.309 3.140 19731 3857 1 4 . 1 1 109 109 LYS H H 109 9.275 9.275 8.015 1.260 19731 3858 1 4 . 1 1 110 110 GLN N N 110 126.952 126.952 127.684 -0.732 19731 3859 1 4 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.203 -0.077 19731 3860 1 4 . 1 1 110 110 GLN C C 110 175.040 175.040 175.011 0.029 19731 3861 1 4 . 1 1 110 110 GLN CA C 110 55.891 55.891 55.318 0.573 19731 3862 1 4 . 1 1 110 110 GLN CB C 110 29.447 29.447 29.809 -0.362 19731 3863 1 4 . 1 1 110 110 GLN H H 110 8.910 8.910 8.812 0.098 19731 3864 1 4 . 1 1 111 111 GLY N N 111 113.910 113.910 115.121 -1.211 19731 3865 1 4 . 1 1 111 111 GLY C C 111 171.543 171.543 172.558 -1.015 19731 3866 1 4 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.548 0.085 19731 3867 1 4 . 1 1 111 111 GLY H H 111 7.170 7.170 7.923 -0.753 19731 3868 1 4 . 1 1 112 112 GLY N N 112 102.365 102.365 109.656 -7.291 19731 3869 1 4 . 1 1 112 112 GLY C C 112 174.954 174.954 173.934 1.020 19731 3870 1 4 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.416 -1.035 19731 3871 1 4 . 1 1 112 112 GLY H H 112 7.634 7.634 8.318 -0.684 19731 3872 1 4 . 1 1 113 113 GLY N N 113 104.247 104.247 106.907 -2.660 19731 3873 1 4 . 1 1 113 113 GLY C C 113 174.737 174.737 173.528 1.209 19731 3874 1 4 . 1 1 113 113 GLY CA C 113 44.405 44.405 45.081 -0.677 19731 3875 1 4 . 1 1 113 113 GLY H H 113 8.109 8.109 8.258 -0.149 19731 3876 1 4 . 1 1 114 114 HIS N N 114 114.133 114.133 116.637 -2.504 19731 3877 1 4 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.702 -0.181 19731 3878 1 4 . 1 1 114 114 HIS CA C 114 55.197 55.197 55.316 -0.119 19731 3879 1 4 . 1 1 114 114 HIS CB C 114 31.659 31.659 29.913 1.746 19731 3880 1 4 . 1 1 114 114 HIS H H 114 7.472 7.472 7.920 -0.448 19731 3881 1 4 . 1 1 115 115 GLY N N 115 111.756 111.756 110.557 1.199 19731 3882 1 4 . 1 1 115 115 GLY C C 115 175.298 175.298 174.654 0.644 19731 3883 1 4 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.691 2.217 19731 3884 1 4 . 1 1 115 115 GLY H H 115 8.472 8.472 8.915 -0.443 19731 3885 1 4 . 1 1 116 116 GLY N N 116 112.890 112.890 109.648 3.242 19731 3886 1 4 . 1 1 116 116 GLY C C 116 174.010 174.010 173.383 0.627 19731 3887 1 4 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.697 -0.979 19731 3888 1 4 . 1 1 116 116 GLY H H 116 11.124 11.124 8.163 2.961 19731 3889 1 4 . 1 1 117 117 HIS N N 117 124.702 124.702 119.329 5.373 19731 3890 1 4 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.715 -0.181 19731 3891 1 4 . 1 1 117 117 HIS C C 117 177.485 177.485 174.266 3.219 19731 3892 1 4 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.506 2.646 19731 3893 1 4 . 1 1 117 117 HIS CB C 117 32.422 32.422 32.544 -0.122 19731 3894 1 4 . 1 1 117 117 HIS H H 117 8.275 8.275 7.966 0.309 19731 3895 1 4 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.227 0.126 19731 3896 1 4 . 1 1 118 118 ASN C C 118 178.751 178.751 177.203 1.548 19731 3897 1 4 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.338 0.272 19731 3898 1 4 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.093 0.121 19731 3899 1 4 . 1 1 119 119 GLY N N 119 112.608 112.608 107.779 4.829 19731 3900 1 4 . 1 1 119 119 GLY C C 119 177.163 177.163 176.004 1.159 19731 3901 1 4 . 1 1 119 119 GLY CA C 119 47.373 47.373 46.856 0.517 19731 3902 1 4 . 1 1 119 119 GLY H H 119 9.608 9.608 7.328 2.280 19731 3903 1 4 . 1 1 120 120 LEU N N 120 125.827 125.827 121.546 4.281 19731 3904 1 4 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.359 -0.386 19731 3905 1 4 . 1 1 120 120 LEU C C 120 178.729 178.729 178.903 -0.174 19731 3906 1 4 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.103 1.837 19731 3907 1 4 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.790 2.043 19731 3908 1 4 . 1 1 120 120 LEU H H 120 8.199 8.199 7.650 0.549 19731 3909 1 4 . 1 1 121 121 LYS N N 121 119.921 119.921 120.037 -0.116 19731 3910 1 4 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.000 -0.319 19731 3911 1 4 . 1 1 121 121 LYS C C 121 178.708 178.708 178.791 -0.083 19731 3912 1 4 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.847 1.990 19731 3913 1 4 . 1 1 121 121 LYS CB C 121 33.204 33.204 32.051 1.153 19731 3914 1 4 . 1 1 121 121 LYS H H 121 8.760 8.760 8.461 0.299 19731 3915 1 4 . 1 1 122 122 ASP N N 122 117.389 117.389 118.637 -1.248 19731 3916 1 4 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.365 0.185 19731 3917 1 4 . 1 1 122 122 ASP C C 122 178.107 178.107 178.325 -0.218 19731 3918 1 4 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.802 0.373 19731 3919 1 4 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.812 2.882 19731 3920 1 4 . 1 1 122 122 ASP H H 122 7.245 7.245 8.337 -1.092 19731 3921 1 4 . 1 1 123 123 THR N N 123 116.546 116.546 113.871 2.675 19731 3922 1 4 . 1 1 123 123 THR HA H 123 3.830 3.830 3.962 -0.132 19731 3923 1 4 . 1 1 123 123 THR C C 123 174.696 174.696 176.704 -2.008 19731 3924 1 4 . 1 1 123 123 THR CA C 123 69.447 69.447 66.250 3.197 19731 3925 1 4 . 1 1 123 123 THR CB C 123 67.803 67.803 68.332 -0.529 19731 3926 1 4 . 1 1 123 123 THR H H 123 7.639 7.639 8.011 -0.372 19731 3927 1 4 . 1 1 124 124 ILE N N 124 118.736 118.736 122.424 -3.688 19731 3928 1 4 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.778 0.615 19731 3929 1 4 . 1 1 124 124 ILE C C 124 179.051 179.051 178.339 0.712 19731 3930 1 4 . 1 1 124 124 ILE CA C 124 65.453 65.453 61.502 3.951 19731 3931 1 4 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.248 3.330 19731 3932 1 4 . 1 1 124 124 ILE H H 124 8.078 8.078 7.267 0.811 19731 3933 1 4 . 1 1 125 125 SER N N 125 110.921 110.921 116.120 -5.199 19731 3934 1 4 . 1 1 125 125 SER HA H 125 4.177 4.177 4.122 0.056 19731 3935 1 4 . 1 1 125 125 SER C C 125 178.729 178.729 176.306 2.423 19731 3936 1 4 . 1 1 125 125 SER CA C 125 61.619 61.619 61.431 0.188 19731 3937 1 4 . 1 1 125 125 SER CB C 125 63.263 63.263 62.974 0.289 19731 3938 1 4 . 1 1 125 125 SER H H 125 7.397 7.397 8.427 -1.030 19731 3939 1 4 . 1 1 126 126 LYS N N 126 119.572 119.572 119.737 -0.165 19731 3940 1 4 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.250 -0.003 19731 3941 1 4 . 1 1 126 126 LYS C C 126 178.407 178.407 177.446 0.961 19731 3942 1 4 . 1 1 126 126 LYS CA C 126 58.019 58.019 57.233 0.786 19731 3943 1 4 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.509 -0.635 19731 3944 1 4 . 1 1 126 126 LYS H H 126 8.457 8.457 7.814 0.643 19731 3945 1 4 . 1 1 127 127 LEU N N 127 119.633 119.633 116.298 3.335 19731 3946 1 4 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.360 0.205 19731 3947 1 4 . 1 1 127 127 LEU C C 127 176.542 176.542 176.789 -0.247 19731 3948 1 4 . 1 1 127 127 LEU CA C 127 54.291 54.291 55.219 -0.928 19731 3949 1 4 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.901 -2.450 19731 3950 1 4 . 1 1 127 127 LEU H H 127 7.753 7.753 7.667 0.086 19731 3951 1 4 . 1 1 128 128 GLY N N 128 107.827 107.827 106.690 1.137 19731 3952 1 4 . 1 1 128 128 GLY C C 128 179.094 179.094 173.101 5.993 19731 3953 1 4 . 1 1 128 128 GLY CA C 128 46.903 46.903 44.303 2.600 19731 3954 1 4 . 1 1 128 128 GLY H H 128 7.773 7.773 7.834 -0.061 19731 3955 1 4 . 1 1 129 129 ASN N N 129 115.879 115.879 118.617 -2.738 19731 3956 1 4 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.542 -0.190 19731 3957 1 4 . 1 1 129 129 ASN C C 129 175.028 175.028 174.680 0.348 19731 3958 1 4 . 1 1 129 129 ASN CA C 129 54.261 54.261 53.004 1.257 19731 3959 1 4 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.236 -1.196 19731 3960 1 4 . 1 1 129 129 ASN H H 129 8.246 8.246 8.616 -0.370 19731 3961 1 4 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.648 0.046 19731 3962 1 4 . 1 1 131 131 LYS C C 131 178.450 178.450 175.662 2.788 19731 3963 1 4 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.457 0.097 19731 3964 1 4 . 1 1 131 131 LYS CB C 131 33.204 33.204 30.015 3.188 19731 3965 1 4 . 1 1 132 132 GLU N N 132 119.297 119.297 119.606 -0.309 19731 3966 1 4 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.152 -0.279 19731 3967 1 4 . 1 1 132 132 GLU C C 132 175.318 175.318 175.320 -0.002 19731 3968 1 4 . 1 1 132 132 GLU CA C 132 56.923 56.923 55.216 1.707 19731 3969 1 4 . 1 1 132 132 GLU CB C 132 27.803 27.803 30.329 -2.526 19731 3970 1 4 . 1 1 132 132 GLU H H 132 8.699 8.699 7.824 0.875 19731 3971 1 4 . 1 1 133 133 PHE N N 133 114.296 114.296 117.145 -2.849 19731 3972 1 4 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.538 0.529 19731 3973 1 4 . 1 1 133 133 PHE C C 133 177.785 177.785 174.739 3.046 19731 3974 1 4 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.606 -0.405 19731 3975 1 4 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.978 1.271 19731 3976 1 4 . 1 1 133 133 PHE H H 133 6.669 6.669 7.396 -0.727 19731 3977 1 4 . 1 1 134 134 TYR N N 134 121.046 121.046 119.949 1.097 19731 3978 1 4 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.253 -0.280 19731 3979 1 4 . 1 1 134 134 TYR C C 134 176.219 176.219 175.612 0.607 19731 3980 1 4 . 1 1 134 134 TYR CA C 134 59.506 59.506 56.584 2.922 19731 3981 1 4 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.365 1.293 19731 3982 1 4 . 1 1 134 134 TYR H H 134 9.230 9.230 8.058 1.172 19731 3983 1 4 . 1 1 135 135 ARG N N 135 119.639 119.639 119.893 -0.254 19731 3984 1 4 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.334 0.574 19731 3985 1 4 . 1 1 135 135 ARG C C 135 174.353 174.353 174.482 -0.129 19731 3986 1 4 . 1 1 135 135 ARG CA C 135 54.758 54.758 54.829 -0.071 19731 3987 1 4 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.292 -1.105 19731 3988 1 4 . 1 1 135 135 ARG H H 135 9.896 9.896 8.807 1.089 19731 3989 1 4 . 1 1 136 136 LEU N N 136 126.108 126.108 121.270 4.838 19731 3990 1 4 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.365 -0.507 19731 3991 1 4 . 1 1 136 136 LEU C C 136 173.131 173.131 176.077 -2.946 19731 3992 1 4 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.457 1.274 19731 3993 1 4 . 1 1 136 136 LEU CB C 136 42.989 42.989 43.214 -0.225 19731 3994 1 4 . 1 1 136 136 LEU H H 136 8.601 8.601 8.925 -0.324 19731 3995 1 4 . 1 1 137 137 ARG N N 137 124.421 124.421 123.668 0.753 19731 3996 1 4 . 1 1 137 137 ARG HA H 137 3.540 3.540 4.645 -1.105 19731 3997 1 4 . 1 1 137 137 ARG C C 137 174.010 174.010 174.672 -0.662 19731 3998 1 4 . 1 1 137 137 ARG CA C 137 54.484 54.484 54.119 0.365 19731 3999 1 4 . 1 1 137 137 ARG CB C 137 32.265 32.265 32.510 -0.245 19731 4000 1 4 . 1 1 137 137 ARG H H 137 9.230 9.230 8.535 0.695 19731 4001 1 4 . 1 1 138 138 LEU N N 138 125.827 125.827 123.990 1.837 19731 4002 1 4 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.695 -0.246 19731 4003 1 4 . 1 1 138 138 LEU C C 138 175.940 175.940 176.422 -0.482 19731 4004 1 4 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.392 0.478 19731 4005 1 4 . 1 1 138 138 LEU CB C 138 41.580 41.580 43.203 -1.623 19731 4006 1 4 . 1 1 138 138 LEU H H 138 8.640 8.640 7.928 0.712 19731 4007 1 4 . 1 1 139 139 GLY N N 139 113.171 113.171 112.087 1.084 19731 4008 1 4 . 1 1 139 139 GLY C C 139 174.353 174.353 174.173 0.180 19731 4009 1 4 . 1 1 139 139 GLY CA C 139 48.782 48.782 44.993 3.789 19731 4010 1 4 . 1 1 139 139 GLY H H 139 8.578 8.578 8.991 -0.413 19731 4011 1 4 . 1 1 140 140 ILE N N 140 112.046 112.046 121.197 -9.151 19731 4012 1 4 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.593 0.168 19731 4013 1 4 . 1 1 140 140 ILE C C 140 178.707 178.707 174.795 3.912 19731 4014 1 4 . 1 1 140 140 ILE CA C 140 60.837 60.837 58.887 1.950 19731 4015 1 4 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.184 3.866 19731 4016 1 4 . 1 1 140 140 ILE H H 140 8.125 8.125 7.845 0.280 19731 4017 1 4 . 1 1 141 141 GLY N N 141 116.265 116.265 110.373 5.892 19731 4018 1 4 . 1 1 141 141 GLY C C 141 167.232 167.232 172.999 -5.767 19731 4019 1 4 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.241 1.175 19731 4020 1 4 . 1 1 141 141 GLY H H 141 9.411 9.411 7.692 1.719 19731 4021 1 4 . 1 1 142 142 HIS N N 142 113.452 113.452 120.967 -7.515 19731 4022 1 4 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.863 -0.498 19731 4023 1 4 . 1 1 142 142 HIS C C 142 175.640 175.640 173.062 2.578 19731 4024 1 4 . 1 1 142 142 HIS CA C 142 53.087 53.087 52.020 1.067 19731 4025 1 4 . 1 1 142 142 HIS CB C 142 34.613 34.613 29.914 4.699 19731 4026 1 4 . 1 1 142 142 HIS H H 142 7.578 7.578 7.919 -0.341 19731 4027 1 4 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.276 0.347 19731 4028 1 4 . 1 1 143 143 PRO C C 143 176.842 176.842 176.227 0.615 19731 4029 1 4 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.729 -0.807 19731 4030 1 4 . 1 1 143 143 PRO CB C 143 32.828 32.828 30.883 1.945 19731 4031 1 4 . 1 1 144 144 GLY N N 144 106.468 106.468 110.420 -3.952 19731 4032 1 4 . 1 1 144 144 GLY C C 144 173.411 173.411 172.944 0.467 19731 4033 1 4 . 1 1 144 144 GLY CA C 144 45.221 45.221 44.025 1.196 19731 4034 1 4 . 1 1 144 144 GLY H H 144 8.133 8.133 7.989 0.144 19731 4035 1 4 . 1 1 145 145 HIS N N 145 117.271 117.271 119.125 -1.854 19731 4036 1 4 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.727 -0.193 19731 4037 1 4 . 1 1 145 145 HIS C C 145 176.636 176.636 176.688 -0.052 19731 4038 1 4 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.697 1.382 19731 4039 1 4 . 1 1 145 145 HIS CB C 145 34.144 34.144 30.921 3.224 19731 4040 1 4 . 1 1 145 145 HIS H H 145 7.067 7.067 8.562 -1.495 19731 4041 1 4 . 1 1 146 146 LYS HA H 146 4.242 4.242 3.973 0.269 19731 4042 1 4 . 1 1 146 146 LYS C C 146 178.429 178.429 178.187 0.242 19731 4043 1 4 . 1 1 146 146 LYS CA C 146 59.547 59.547 60.302 -0.755 19731 4044 1 4 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.525 -0.259 19731 4045 1 4 . 1 1 147 147 ASP N N 147 122.171 122.171 117.649 4.522 19731 4046 1 4 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.591 0.046 19731 4047 1 4 . 1 1 147 147 ASP C C 147 177.442 177.442 177.341 0.101 19731 4048 1 4 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.432 -0.292 19731 4049 1 4 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.742 -0.649 19731 4050 1 4 . 1 1 147 147 ASP H H 147 10.805 10.805 8.834 1.971 19731 4051 1 4 . 1 1 148 148 LYS N N 148 116.546 116.546 117.848 -1.302 19731 4052 1 4 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.685 -0.171 19731 4053 1 4 . 1 1 148 148 LYS C C 148 177.163 177.163 176.415 0.748 19731 4054 1 4 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.525 1.302 19731 4055 1 4 . 1 1 148 148 LYS CB C 148 34.613 34.613 32.490 2.123 19731 4056 1 4 . 1 1 148 148 LYS H H 148 7.775 7.775 8.007 -0.232 19731 4057 1 4 . 1 1 149 149 VAL N N 149 121.046 121.046 121.821 -0.775 19731 4058 1 4 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.482 -0.237 19731 4059 1 4 . 1 1 149 149 VAL C C 149 176.241 176.241 176.146 0.095 19731 4060 1 4 . 1 1 149 149 VAL CA C 149 68.195 68.195 66.300 1.895 19731 4061 1 4 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.905 0.204 19731 4062 1 4 . 1 1 149 149 VAL H H 149 7.366 7.366 7.434 -0.068 19731 4063 1 4 . 1 1 150 150 ALA N N 150 121.889 121.889 118.833 3.056 19731 4064 1 4 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.859 0.190 19731 4065 1 4 . 1 1 150 150 ALA C C 150 180.016 180.016 178.784 1.232 19731 4066 1 4 . 1 1 150 150 ALA CA C 150 55.827 55.827 53.663 2.164 19731 4067 1 4 . 1 1 150 150 ALA CB C 150 17.627 17.627 18.089 -0.462 19731 4068 1 4 . 1 1 150 150 ALA H H 150 8.675 8.675 8.540 0.135 19731 4069 1 4 . 1 1 151 151 GLY N N 151 102.202 102.202 107.601 -5.399 19731 4070 1 4 . 1 1 151 151 GLY C C 151 175.919 175.919 175.419 0.500 19731 4071 1 4 . 1 1 151 151 GLY CA C 151 45.964 45.964 47.082 -1.118 19731 4072 1 4 . 1 1 151 151 GLY H H 151 8.366 8.366 7.732 0.634 19731 4073 1 4 . 1 1 152 152 TYR N N 152 123.296 123.296 117.468 5.828 19731 4074 1 4 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.578 -0.347 19731 4075 1 4 . 1 1 152 152 TYR C C 152 179.694 179.694 177.124 2.570 19731 4076 1 4 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.573 2.812 19731 4077 1 4 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.907 2.577 19731 4078 1 4 . 1 1 152 152 TYR H H 152 7.942 7.942 7.182 0.760 19731 4079 1 4 . 1 1 153 153 VAL N N 153 112.890 112.890 118.831 -5.941 19731 4080 1 4 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.855 0.173 19731 4081 1 4 . 1 1 153 153 VAL C C 153 175.620 175.620 176.132 -0.512 19731 4082 1 4 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.067 0.076 19731 4083 1 4 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.090 -0.999 19731 4084 1 4 . 1 1 153 153 VAL H H 153 8.618 8.618 7.044 1.574 19731 4085 1 4 . 1 1 154 154 LEU N N 154 117.108 117.108 110.059 7.049 19731 4086 1 4 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.837 -0.120 19731 4087 1 4 . 1 1 154 154 LEU C C 154 175.297 175.297 176.423 -1.126 19731 4088 1 4 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.618 0.330 19731 4089 1 4 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.844 -1.204 19731 4090 1 4 . 1 1 154 154 LEU H H 154 6.897 6.897 7.403 -0.506 19731 4091 1 4 . 1 1 155 155 GLY N N 155 107.827 107.827 108.552 -0.725 19731 4092 1 4 . 1 1 155 155 GLY C C 155 171.844 171.844 173.307 -1.463 19731 4093 1 4 . 1 1 155 155 GLY CA C 155 43.615 43.615 44.128 -0.513 19731 4094 1 4 . 1 1 155 155 GLY H H 155 7.351 7.351 7.572 -0.221 19731 4095 1 4 . 1 1 156 156 LYS N N 156 118.233 118.233 120.140 -1.907 19731 4096 1 4 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.184 0.472 19731 4097 1 4 . 1 1 156 156 LYS C C 156 176.541 176.541 176.466 0.075 19731 4098 1 4 . 1 1 156 156 LYS CA C 156 54.887 54.887 56.217 -1.330 19731 4099 1 4 . 1 1 156 156 LYS CB C 156 33.518 33.518 32.122 1.396 19731 4100 1 4 . 1 1 156 156 LYS H H 156 8.154 8.154 8.402 -0.248 19731 4101 1 4 . 1 1 157 157 ALA N N 157 130.608 130.608 130.106 0.502 19731 4102 1 4 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.702 -0.308 19731 4103 1 4 . 1 1 157 157 ALA C C 157 175.876 175.876 175.668 0.208 19731 4104 1 4 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.598 1.297 19731 4105 1 4 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.913 -1.129 19731 4106 1 4 . 1 1 157 157 ALA H H 157 9.777 9.777 8.174 1.603 19731 4107 1 4 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.557 -0.041 19731 4108 1 4 . 1 1 158 158 PRO C C 158 176.532 176.532 176.964 -0.432 19731 4109 1 4 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.142 0.024 19731 4110 1 4 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.448 -0.105 19731 4111 1 4 . 1 1 159 159 ALA N N 159 123.733 123.733 123.409 0.324 19731 4112 1 4 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.037 0.007 19731 4113 1 4 . 1 1 159 159 ALA C C 159 179.706 179.706 179.706 0.000 19731 4114 1 4 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.347 1.419 19731 4115 1 4 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.416 0.463 19731 4116 1 4 . 1 1 159 159 ALA H H 159 8.575 8.575 8.627 -0.052 19731 4117 1 4 . 1 1 160 160 LYS N N 160 116.796 116.796 116.720 0.076 19731 4118 1 4 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.044 0.113 19731 4119 1 4 . 1 1 160 160 LYS C C 160 179.115 179.115 178.055 1.060 19731 4120 1 4 . 1 1 160 160 LYS CA C 160 58.958 58.958 59.204 -0.246 19731 4121 1 4 . 1 1 160 160 LYS CB C 160 31.561 31.561 32.127 -0.566 19731 4122 1 4 . 1 1 160 160 LYS H H 160 8.883 8.883 8.376 0.507 19731 4123 1 4 . 1 1 161 161 GLU N N 161 118.514 118.514 117.699 0.815 19731 4124 1 4 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.272 -0.158 19731 4125 1 4 . 1 1 161 161 GLU C C 161 178.707 178.707 178.524 0.183 19731 4126 1 4 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.332 1.017 19731 4127 1 4 . 1 1 161 161 GLU CB C 161 31.247 31.247 30.307 0.940 19731 4128 1 4 . 1 1 161 161 GLU H H 161 6.988 6.988 7.596 -0.608 19731 4129 1 4 . 1 1 162 162 GLN N N 162 120.202 120.202 118.675 1.527 19731 4130 1 4 . 1 1 162 162 GLN HA H 162 3.700 3.700 3.926 -0.226 19731 4131 1 4 . 1 1 162 162 GLN C C 162 177.184 177.184 178.027 -0.843 19731 4132 1 4 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.369 -0.350 19731 4133 1 4 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.108 0.165 19731 4134 1 4 . 1 1 162 162 GLN H H 162 8.988 8.988 8.550 0.438 19731 4135 1 4 . 1 1 163 163 GLU N N 163 117.952 117.952 119.264 -1.312 19731 4136 1 4 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.031 0.109 19731 4137 1 4 . 1 1 163 163 GLU C C 163 180.273 180.273 178.905 1.368 19731 4138 1 4 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.152 0.745 19731 4139 1 4 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.009 0.751 19731 4140 1 4 . 1 1 163 163 GLU H H 163 8.063 8.063 8.136 -0.073 19731 4141 1 4 . 1 1 164 164 CYS N N 164 118.796 118.796 115.610 3.186 19731 4142 1 4 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.382 -0.242 19731 4143 1 4 . 1 1 164 164 CYS C C 164 176.562 176.562 176.393 0.169 19731 4144 1 4 . 1 1 164 164 CYS CA C 164 63.420 63.420 60.681 2.739 19731 4145 1 4 . 1 1 164 164 CYS CB C 164 26.316 26.316 27.497 -1.181 19731 4146 1 4 . 1 1 164 164 CYS H H 164 7.306 7.306 8.119 -0.813 19731 4147 1 4 . 1 1 165 165 LEU N N 165 121.327 121.327 124.305 -2.978 19731 4148 1 4 . 1 1 165 165 LEU HA H 165 4.297 4.297 3.954 0.343 19731 4149 1 4 . 1 1 165 165 LEU C C 165 179.029 179.029 177.966 1.063 19731 4150 1 4 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.009 0.401 19731 4151 1 4 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.484 0.801 19731 4152 1 4 . 1 1 165 165 LEU H H 165 8.357 8.357 7.575 0.782 19731 4153 1 4 . 1 1 166 166 ASP N N 166 119.358 119.358 118.547 0.811 19731 4154 1 4 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.169 0.062 19731 4155 1 4 . 1 1 166 166 ASP C C 166 179.029 179.029 178.190 0.839 19731 4156 1 4 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.255 0.137 19731 4157 1 4 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.885 -1.184 19731 4158 1 4 . 1 1 166 166 ASP H H 166 9.169 9.169 7.740 1.429 19731 4159 1 4 . 1 1 167 167 ALA N N 167 122.171 122.171 121.742 0.429 19731 4160 1 4 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.137 0.185 19731 4161 1 4 . 1 1 167 167 ALA C C 167 180.616 180.616 179.276 1.340 19731 4162 1 4 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.109 -0.143 19731 4163 1 4 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.336 0.152 19731 4164 1 4 . 1 1 167 167 ALA H H 167 7.745 7.745 7.536 0.209 19731 4165 1 4 . 1 1 168 168 ALA N N 168 122.452 122.452 120.958 1.494 19731 4166 1 4 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.542 -0.478 19731 4167 1 4 . 1 1 168 168 ALA C C 168 180.917 180.917 179.580 1.337 19731 4168 1 4 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.466 0.969 19731 4169 1 4 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.313 -0.608 19731 4170 1 4 . 1 1 168 168 ALA H H 168 8.164 8.164 7.692 0.472 19731 4171 1 4 . 1 1 169 169 VAL N N 169 124.702 124.702 119.295 5.407 19731 4172 1 4 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.558 -0.116 19731 4173 1 4 . 1 1 169 169 VAL C C 169 177.442 177.442 177.141 0.301 19731 4174 1 4 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.847 0.878 19731 4175 1 4 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.629 0.010 19731 4176 1 4 . 1 1 169 169 VAL H H 169 9.052 9.052 7.416 1.636 19731 4177 1 4 . 1 1 170 170 ASP N N 170 119.358 119.358 120.824 -1.466 19731 4178 1 4 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.261 -0.026 19731 4179 1 4 . 1 1 170 170 ASP C C 170 178.750 178.750 178.287 0.463 19731 4180 1 4 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.917 -0.055 19731 4181 1 4 . 1 1 170 170 ASP CB C 170 40.719 40.719 41.105 -0.386 19731 4182 1 4 . 1 1 170 170 ASP H H 170 8.139 8.139 7.908 0.231 19731 4183 1 4 . 1 1 171 171 GLU N N 171 119.639 119.639 118.205 1.434 19731 4184 1 4 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.806 0.336 19731 4185 1 4 . 1 1 171 171 GLU C C 171 179.050 179.050 178.916 0.134 19731 4186 1 4 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.958 -0.783 19731 4187 1 4 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.782 -0.666 19731 4188 1 4 . 1 1 171 171 GLU H H 171 7.821 7.821 7.806 0.015 19731 4189 1 4 . 1 1 172 172 SER N N 172 119.251 119.251 116.499 2.752 19731 4190 1 4 . 1 1 172 172 SER HA H 172 3.818 3.818 4.192 -0.374 19731 4191 1 4 . 1 1 172 172 SER C C 172 175.919 175.919 176.901 -0.982 19731 4192 1 4 . 1 1 172 172 SER CA C 172 64.594 64.594 62.187 2.407 19731 4193 1 4 . 1 1 172 172 SER CB C 172 62.794 62.794 63.180 -0.386 19731 4194 1 4 . 1 1 172 172 SER H H 172 8.457 8.457 7.621 0.836 19731 4195 1 4 . 1 1 173 173 VAL N N 173 121.889 121.889 118.098 3.791 19731 4196 1 4 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.795 -0.333 19731 4197 1 4 . 1 1 173 173 VAL C C 173 178.407 178.407 176.957 1.450 19731 4198 1 4 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.293 2.510 19731 4199 1 4 . 1 1 173 173 VAL CB C 173 31.404 31.404 30.967 0.437 19731 4200 1 4 . 1 1 173 173 VAL H H 173 8.316 8.316 7.847 0.469 19731 4201 1 4 . 1 1 174 174 ARG N N 174 118.796 118.796 120.625 -1.829 19731 4202 1 4 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.195 -0.063 19731 4203 1 4 . 1 1 174 174 ARG C C 174 180.938 180.938 178.306 2.632 19731 4204 1 4 . 1 1 174 174 ARG CA C 174 59.506 59.506 57.616 1.890 19731 4205 1 4 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.120 0.953 19731 4206 1 4 . 1 1 174 174 ARG H H 174 7.669 7.669 7.591 0.078 19731 4207 1 4 . 1 1 175 175 CYS N N 175 117.070 117.070 117.769 -0.699 19731 4208 1 4 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.201 0.126 19731 4209 1 4 . 1 1 175 175 CYS C C 175 176.541 176.541 176.599 -0.058 19731 4210 1 4 . 1 1 175 175 CYS CA C 175 64.437 64.437 60.901 3.536 19731 4211 1 4 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.235 1.020 19731 4212 1 4 . 1 1 175 175 CYS H H 175 8.649 8.649 7.739 0.910 19731 4213 1 4 . 1 1 176 176 LEU N N 176 125.264 125.264 121.130 4.134 19731 4214 1 4 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.906 0.174 19731 4215 1 4 . 1 1 176 176 LEU C C 176 178.450 178.450 179.226 -0.776 19731 4216 1 4 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.490 0.372 19731 4217 1 4 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.092 0.802 19731 4218 1 4 . 1 1 176 176 LEU H H 176 8.699 8.699 7.490 1.209 19731 4219 1 4 . 1 1 177 177 GLU N N 177 118.260 118.260 119.653 -1.393 19731 4220 1 4 . 1 1 177 177 GLU HA H 177 3.761 3.761 3.997 -0.236 19731 4221 1 4 . 1 1 177 177 GLU C C 177 179.029 179.029 178.669 0.360 19731 4222 1 4 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.207 1.316 19731 4223 1 4 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.758 -0.545 19731 4224 1 4 . 1 1 177 177 GLU H H 177 7.533 7.533 7.543 -0.010 19731 4225 1 4 . 1 1 178 178 ILE N N 178 118.788 118.788 119.634 -0.846 19731 4226 1 4 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.851 -0.174 19731 4227 1 4 . 1 1 178 178 ILE C C 178 177.785 177.785 178.635 -0.850 19731 4228 1 4 . 1 1 178 178 ILE CA C 178 65.142 65.142 62.800 2.342 19731 4229 1 4 . 1 1 178 178 ILE CB C 178 38.527 38.527 37.079 1.448 19731 4230 1 4 . 1 1 178 178 ILE H H 178 7.384 7.384 7.517 -0.133 19731 4231 1 4 . 1 1 179 179 LEU N N 179 123.577 123.577 120.817 2.760 19731 4232 1 4 . 1 1 179 179 LEU HA H 179 3.700 3.700 3.814 -0.114 19731 4233 1 4 . 1 1 179 179 LEU C C 179 178.129 178.129 178.182 -0.053 19731 4234 1 4 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.406 0.239 19731 4235 1 4 . 1 1 179 179 LEU CB C 179 41.893 41.893 41.896 -0.003 19731 4236 1 4 . 1 1 179 179 LEU H H 179 8.503 8.503 8.293 0.210 19731 4237 1 4 . 1 1 180 180 MET N N 180 113.171 113.171 113.609 -0.438 19731 4238 1 4 . 1 1 180 180 MET HA H 180 4.186 4.186 4.268 -0.082 19731 4239 1 4 . 1 1 180 180 MET C C 180 176.498 176.498 177.688 -1.190 19731 4240 1 4 . 1 1 180 180 MET CA C 180 55.905 55.905 58.062 -2.157 19731 4241 1 4 . 1 1 180 180 MET CB C 180 31.013 31.013 32.827 -1.814 19731 4242 1 4 . 1 1 180 180 MET H H 180 7.139 7.139 7.399 -0.260 19731 4243 1 4 . 1 1 181 181 LYS N N 181 117.952 117.952 114.720 3.232 19731 4244 1 4 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.443 -0.170 19731 4245 1 4 . 1 1 181 181 LYS C C 181 176.542 176.542 177.572 -1.030 19731 4246 1 4 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.119 1.604 19731 4247 1 4 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.097 1.830 19731 4248 1 4 . 1 1 181 181 LYS H H 181 7.665 7.665 7.431 0.234 19731 4249 1 4 . 1 1 182 182 ASP N N 182 116.827 116.827 118.411 -1.584 19731 4250 1 4 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.767 0.153 19731 4251 1 4 . 1 1 182 182 ASP C C 182 177.485 177.485 176.292 1.193 19731 4252 1 4 . 1 1 182 182 ASP CA C 182 54.887 54.887 54.493 0.394 19731 4253 1 4 . 1 1 182 182 ASP CB C 182 44.790 44.790 42.541 2.249 19731 4254 1 4 . 1 1 182 182 ASP H H 182 9.191 9.191 8.198 0.993 19731 4255 1 4 . 1 1 183 183 GLY N N 183 110.358 110.358 108.165 2.193 19731 4256 1 4 . 1 1 183 183 GLY C C 183 173.410 173.410 174.649 -1.239 19731 4257 1 4 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.440 0.201 19731 4258 1 4 . 1 1 183 183 GLY H H 183 7.745 7.745 7.759 -0.014 19731 4259 1 4 . 1 1 184 184 LEU N N 184 118.796 118.796 119.107 -0.311 19731 4260 1 4 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.187 -0.487 19731 4261 1 4 . 1 1 184 184 LEU C C 184 177.506 177.506 177.947 -0.441 19731 4262 1 4 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.103 1.307 19731 4263 1 4 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.397 0.809 19731 4264 1 4 . 1 1 184 184 LEU H H 184 8.381 8.381 8.536 -0.155 19731 4265 1 4 . 1 1 185 185 THR N N 185 115.421 115.421 112.250 3.171 19731 4266 1 4 . 1 1 185 185 THR HA H 185 3.819 3.819 3.922 -0.103 19731 4267 1 4 . 1 1 185 185 THR C C 185 176.520 176.520 176.464 0.056 19731 4268 1 4 . 1 1 185 185 THR CA C 185 67.021 67.021 65.991 1.030 19731 4269 1 4 . 1 1 185 185 THR CB C 185 68.351 68.351 68.038 0.313 19731 4270 1 4 . 1 1 185 185 THR H H 185 8.336 8.336 8.339 -0.003 19731 4271 1 4 . 1 1 186 186 LYS N N 186 120.202 120.202 121.761 -1.559 19731 4272 1 4 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.046 -0.088 19731 4273 1 4 . 1 1 186 186 LYS C C 186 179.329 179.329 178.453 0.876 19731 4274 1 4 . 1 1 186 186 LYS CA C 186 59.547 59.547 59.088 0.459 19731 4275 1 4 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.726 0.617 19731 4276 1 4 . 1 1 186 186 LYS H H 186 8.237 8.237 7.482 0.755 19731 4277 1 4 . 1 1 187 187 ALA N N 187 121.889 121.889 121.421 0.468 19731 4278 1 4 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.120 -0.207 19731 4279 1 4 . 1 1 187 187 ALA C C 187 178.772 178.772 179.915 -1.143 19731 4280 1 4 . 1 1 187 187 ALA CA C 187 55.905 55.905 54.867 1.038 19731 4281 1 4 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.095 1.489 19731 4282 1 4 . 1 1 187 187 ALA H H 187 7.566 7.566 7.487 0.079 19731 4283 1 4 . 1 1 188 188 GLN N N 188 117.952 117.952 118.463 -0.511 19731 4284 1 4 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.971 -0.162 19731 4285 1 4 . 1 1 188 188 GLN C C 188 176.863 176.863 178.674 -1.811 19731 4286 1 4 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.994 0.042 19731 4287 1 4 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.131 0.925 19731 4288 1 4 . 1 1 188 188 GLN H H 188 9.125 9.125 8.613 0.512 19731 4289 1 4 . 1 1 189 189 ASN N N 189 117.100 117.100 117.476 -0.376 19731 4290 1 4 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.370 0.056 19731 4291 1 4 . 1 1 189 189 ASN C C 189 177.463 177.463 177.308 0.155 19731 4292 1 4 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.389 -0.719 19731 4293 1 4 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.546 -0.567 19731 4294 1 4 . 1 1 189 189 ASN H H 189 8.275 8.275 7.747 0.528 19731 4295 1 4 . 1 1 190 190 ARG N N 190 117.389 117.389 119.460 -2.071 19731 4296 1 4 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.225 0.270 19731 4297 1 4 . 1 1 190 190 ARG C C 190 178.428 178.428 179.121 -0.693 19731 4298 1 4 . 1 1 190 190 ARG CA C 190 59.036 59.036 58.119 0.917 19731 4299 1 4 . 1 1 190 190 ARG CB C 190 29.760 29.760 30.191 -0.431 19731 4300 1 4 . 1 1 190 190 ARG H H 190 7.230 7.230 7.449 -0.219 19731 4301 1 4 . 1 1 191 191 LEU N N 191 122.155 122.155 121.806 0.349 19731 4302 1 4 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.149 -0.009 19731 4303 1 4 . 1 1 191 191 LEU C C 191 179.373 179.373 178.992 0.381 19731 4304 1 4 . 1 1 191 191 LEU CA C 191 58.645 58.645 57.630 1.014 19731 4305 1 4 . 1 1 191 191 LEU CB C 191 41.502 41.502 42.293 -0.791 19731 4306 1 4 . 1 1 191 191 LEU H H 191 8.624 8.624 8.704 -0.080 19731 4307 1 4 . 1 1 192 192 HIS N N 192 113.452 113.452 113.694 -0.242 19731 4308 1 4 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.604 0.487 19731 4309 1 4 . 1 1 192 192 HIS C C 192 177.163 177.163 175.671 1.492 19731 4310 1 4 . 1 1 192 192 HIS CA C 192 57.001 57.001 57.574 -0.573 19731 4311 1 4 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.210 -1.859 19731 4312 1 4 . 1 1 192 192 HIS H H 192 9.017 9.017 8.300 0.717 19731 4313 1 4 . 1 1 193 193 THR N N 193 110.077 110.077 111.810 -1.733 19731 4314 1 4 . 1 1 193 193 THR HA H 193 4.499 4.499 4.439 0.060 19731 4315 1 4 . 1 1 193 193 THR C C 193 174.053 174.053 173.802 0.251 19731 4316 1 4 . 1 1 193 193 THR CA C 193 62.011 62.011 61.887 0.124 19731 4317 1 4 . 1 1 193 193 THR CB C 193 69.995 69.995 69.769 0.226 19731 4318 1 4 . 1 1 193 193 THR H H 193 7.632 7.632 7.398 0.234 19731 4319 1 4 . 1 1 194 194 PHE N N 194 124.702 124.702 125.316 -0.614 19731 4320 1 4 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.569 -0.120 19731 4321 1 4 . 1 1 194 194 PHE C C 194 175.640 175.640 173.430 2.210 19731 4322 1 4 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.747 1.524 19731 4323 1 4 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.369 -0.511 19731 4324 1 4 . 1 1 194 194 PHE H H 194 7.722 7.722 7.629 0.093 19731 4325 1 4 . 1 1 195 195 LYS N N 195 128.639 128.639 125.868 2.771 19731 4326 1 4 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.886 -0.691 19731 4327 1 4 . 1 1 195 195 LYS C C 195 174.032 174.032 174.853 -0.821 19731 4328 1 4 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.581 2.872 19731 4329 1 4 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.097 -0.170 19731 4330 1 4 . 1 1 195 195 LYS H H 195 7.615 7.615 7.679 -0.064 19731 4331 1 4 . 1 1 196 196 ALA N N 196 129.483 129.483 125.456 4.027 19731 4332 1 4 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.137 0.142 19731 4333 1 4 . 1 1 196 196 ALA C C 196 175.619 175.619 176.607 -0.988 19731 4334 1 4 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.624 -0.476 19731 4335 1 4 . 1 1 196 196 ALA CB C 196 20.602 20.602 17.336 3.266 19731 4336 1 4 . 1 1 196 196 ALA H H 196 8.324 8.324 8.543 -0.219 19731 4337 1 5 . 1 1 2 2 VAL N N 2 122.420 122.420 119.673 2.747 19731 4338 1 5 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.561 -0.394 19731 4339 1 5 . 1 1 2 2 VAL C C 2 175.919 175.919 175.078 0.841 19731 4340 1 5 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.451 0.716 19731 4341 1 5 . 1 1 2 2 VAL CB C 2 33.109 33.109 34.236 -1.127 19731 4342 1 5 . 1 1 2 2 VAL H H 2 8.260 8.260 8.281 -0.021 19731 4343 1 5 . 1 1 3 3 SER N N 3 119.915 119.915 116.740 3.175 19731 4344 1 5 . 1 1 3 3 SER HA H 3 4.134 4.134 4.468 -0.334 19731 4345 1 5 . 1 1 3 3 SER C C 3 173.731 173.731 174.550 -0.819 19731 4346 1 5 . 1 1 3 3 SER CA C 3 58.253 58.253 59.649 -1.396 19731 4347 1 5 . 1 1 3 3 SER CB C 3 63.811 63.811 63.740 0.071 19731 4348 1 5 . 1 1 3 3 SER H H 3 8.381 8.381 8.406 -0.025 19731 4349 1 5 . 1 1 4 4 GLN N N 4 123.810 123.810 120.445 3.365 19731 4350 1 5 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.577 -0.108 19731 4351 1 5 . 1 1 4 4 GLN C C 4 174.067 174.067 173.536 0.531 19731 4352 1 5 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.389 0.089 19731 4353 1 5 . 1 1 4 4 GLN CB C 4 29.394 29.394 28.857 0.537 19731 4354 1 5 . 1 1 4 4 GLN H H 4 8.412 8.412 7.724 0.688 19731 4355 1 5 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.336 0.010 19731 4356 1 5 . 1 1 5 5 PRO C C 5 176.242 176.242 176.123 0.119 19731 4357 1 5 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.635 1.693 19731 4358 1 5 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.035 0.512 19731 4359 1 5 . 1 1 6 6 ILE N N 6 114.232 114.232 125.144 -10.912 19731 4360 1 5 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.765 0.406 19731 4361 1 5 . 1 1 6 6 ILE C C 6 175.577 175.577 175.652 -0.075 19731 4362 1 5 . 1 1 6 6 ILE CA C 6 59.036 59.036 61.452 -2.416 19731 4363 1 5 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.699 -0.015 19731 4364 1 5 . 1 1 6 6 ILE H H 6 7.745 7.745 8.371 -0.626 19731 4365 1 5 . 1 1 7 7 LYS N N 7 121.791 121.791 128.352 -6.561 19731 4366 1 5 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.205 0.283 19731 4367 1 5 . 1 1 7 7 LYS C C 7 175.898 175.898 176.065 -0.167 19731 4368 1 5 . 1 1 7 7 LYS CA C 7 56.766 56.766 57.489 -0.723 19731 4369 1 5 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.260 3.021 19731 4370 1 5 . 1 1 7 7 LYS H H 7 9.462 9.462 8.132 1.330 19731 4371 1 5 . 1 1 8 8 LEU N N 8 122.642 122.642 111.189 11.453 19731 4372 1 5 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.240 -0.053 19731 4373 1 5 . 1 1 8 8 LEU C C 8 171.543 171.543 174.388 -2.845 19731 4374 1 5 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.615 -0.396 19731 4375 1 5 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.802 0.073 19731 4376 1 5 . 1 1 8 8 LEU H H 8 7.532 7.532 7.288 0.244 19731 4377 1 5 . 1 1 9 9 LEU N N 9 128.904 128.904 118.271 10.633 19731 4378 1 5 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.447 0.104 19731 4379 1 5 . 1 1 9 9 LEU C C 9 173.410 173.410 175.572 -2.162 19731 4380 1 5 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.287 0.776 19731 4381 1 5 . 1 1 9 9 LEU CB C 9 45.563 45.563 43.917 1.646 19731 4382 1 5 . 1 1 9 9 LEU H H 9 8.900 8.900 8.120 0.780 19731 4383 1 5 . 1 1 10 10 VAL N N 10 126.431 126.431 116.584 9.847 19731 4384 1 5 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.291 0.053 19731 4385 1 5 . 1 1 10 10 VAL C C 10 174.353 174.353 175.294 -0.941 19731 4386 1 5 . 1 1 10 10 VAL CA C 10 58.880 58.880 59.380 -0.500 19731 4387 1 5 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.971 1.279 19731 4388 1 5 . 1 1 10 10 VAL H H 10 9.246 9.246 9.181 0.065 19731 4389 1 5 . 1 1 11 11 GLY N N 11 115.421 115.421 111.120 4.301 19731 4390 1 5 . 1 1 11 11 GLY C C 11 170.943 170.943 172.626 -1.683 19731 4391 1 5 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.645 1.527 19731 4392 1 5 . 1 1 11 11 GLY H H 11 8.738 8.738 8.679 0.059 19731 4393 1 5 . 1 1 12 12 LEU N N 12 119.415 119.415 124.505 -5.090 19731 4394 1 5 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.654 -0.438 19731 4395 1 5 . 1 1 12 12 LEU C C 12 176.498 176.498 175.125 1.373 19731 4396 1 5 . 1 1 12 12 LEU CA C 12 55.749 55.749 53.751 1.998 19731 4397 1 5 . 1 1 12 12 LEU CB C 12 40.328 40.328 43.746 -3.418 19731 4398 1 5 . 1 1 12 12 LEU H H 12 7.423 7.423 7.675 -0.252 19731 4399 1 5 . 1 1 13 13 ALA N N 13 121.608 121.608 124.547 -2.939 19731 4400 1 5 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.498 -0.130 19731 4401 1 5 . 1 1 13 13 ALA C C 13 177.463 177.463 175.229 2.234 19731 4402 1 5 . 1 1 13 13 ALA CA C 13 52.774 52.774 49.925 2.849 19731 4403 1 5 . 1 1 13 13 ALA CB C 13 25.641 25.641 20.616 5.025 19731 4404 1 5 . 1 1 13 13 ALA H H 13 8.627 8.627 8.084 0.543 19731 4405 1 5 . 1 1 14 14 ASN N N 14 116.827 116.827 116.613 0.214 19731 4406 1 5 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.657 -0.253 19731 4407 1 5 . 1 1 14 14 ASN C C 14 173.431 173.431 175.220 -1.789 19731 4408 1 5 . 1 1 14 14 ASN CA C 14 51.052 51.052 50.886 0.166 19731 4409 1 5 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.747 1.737 19731 4410 1 5 . 1 1 14 14 ASN H H 14 8.896 8.896 8.348 0.548 19731 4411 1 5 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.232 0.125 19731 4412 1 5 . 1 1 17 17 PRO C C 17 179.073 179.073 177.308 1.765 19731 4413 1 5 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.430 0.742 19731 4414 1 5 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.112 -0.238 19731 4415 1 5 . 1 1 18 18 GLU N N 18 118.514 118.514 115.725 2.789 19731 4416 1 5 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.033 0.021 19731 4417 1 5 . 1 1 18 18 GLU C C 18 177.807 177.807 177.685 0.122 19731 4418 1 5 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.271 0.530 19731 4419 1 5 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.934 -0.505 19731 4420 1 5 . 1 1 18 18 GLU H H 18 9.729 9.729 8.387 1.342 19731 4421 1 5 . 1 1 19 19 TYR N N 19 115.421 115.421 115.731 -0.310 19731 4422 1 5 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.779 -1.352 19731 4423 1 5 . 1 1 19 19 TYR C C 19 177.549 177.549 176.796 0.753 19731 4424 1 5 . 1 1 19 19 TYR CA C 19 58.332 58.332 55.957 2.375 19731 4425 1 5 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.052 1.649 19731 4426 1 5 . 1 1 19 19 TYR H H 19 7.268 7.268 7.182 0.086 19731 4427 1 5 . 1 1 20 20 ALA N N 20 123.858 123.858 122.741 1.117 19731 4428 1 5 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.183 0.246 19731 4429 1 5 . 1 1 20 20 ALA C C 20 178.365 178.365 177.290 1.075 19731 4430 1 5 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.919 2.064 19731 4431 1 5 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.364 1.377 19731 4432 1 5 . 1 1 20 20 ALA H H 20 7.245 7.245 7.313 -0.068 19731 4433 1 5 . 1 1 21 21 LYS N N 21 114.577 114.577 114.281 0.296 19731 4434 1 5 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.182 0.601 19731 4435 1 5 . 1 1 21 21 LYS C C 21 176.541 176.541 177.017 -0.476 19731 4436 1 5 . 1 1 21 21 LYS CA C 21 54.414 54.414 57.190 -2.776 19731 4437 1 5 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.041 0.068 19731 4438 1 5 . 1 1 21 21 LYS H H 21 8.894 8.894 7.901 0.993 19731 4439 1 5 . 1 1 22 22 THR N N 22 111.202 111.202 116.992 -5.790 19731 4440 1 5 . 1 1 22 22 THR HA H 22 4.495 4.495 4.296 0.199 19731 4441 1 5 . 1 1 22 22 THR C C 22 175.277 175.277 174.134 1.143 19731 4442 1 5 . 1 1 22 22 THR CA C 22 61.306 61.306 63.355 -2.049 19731 4443 1 5 . 1 1 22 22 THR CB C 22 72.109 72.109 69.858 2.251 19731 4444 1 5 . 1 1 22 22 THR H H 22 7.927 7.927 7.621 0.306 19731 4445 1 5 . 1 1 23 23 ARG N N 23 119.639 119.639 124.451 -4.812 19731 4446 1 5 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.012 0.496 19731 4447 1 5 . 1 1 23 23 ARG C C 23 177.142 177.142 176.862 0.280 19731 4448 1 5 . 1 1 23 23 ARG CA C 23 60.993 60.993 58.393 2.600 19731 4449 1 5 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.395 1.479 19731 4450 1 5 . 1 1 23 23 ARG H H 23 8.245 8.245 8.018 0.227 19731 4451 1 5 . 1 1 24 24 HIS N N 24 115.140 115.140 115.314 -0.174 19731 4452 1 5 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.471 -0.543 19731 4453 1 5 . 1 1 24 24 HIS C C 24 173.109 173.109 174.646 -1.537 19731 4454 1 5 . 1 1 24 24 HIS CA C 24 53.870 53.870 55.998 -2.128 19731 4455 1 5 . 1 1 24 24 HIS CB C 24 29.003 29.003 28.650 0.353 19731 4456 1 5 . 1 1 24 24 HIS H H 24 8.245 8.245 8.383 -0.138 19731 4457 1 5 . 1 1 25 25 ASN N N 25 115.140 115.140 116.261 -1.121 19731 4458 1 5 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.641 0.120 19731 4459 1 5 . 1 1 25 25 ASN C C 25 175.234 175.234 176.032 -0.798 19731 4460 1 5 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.269 -0.121 19731 4461 1 5 . 1 1 25 25 ASN CB C 25 38.214 38.214 37.323 0.891 19731 4462 1 5 . 1 1 25 25 ASN H H 25 7.661 7.661 7.641 0.020 19731 4463 1 5 . 1 1 26 26 ALA N N 26 120.764 120.764 123.928 -3.164 19731 4464 1 5 . 1 1 26 26 ALA HA H 26 4.757 4.757 4.024 0.733 19731 4465 1 5 . 1 1 26 26 ALA C C 26 178.428 178.428 179.357 -0.929 19731 4466 1 5 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.430 -0.934 19731 4467 1 5 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.120 0.290 19731 4468 1 5 . 1 1 26 26 ALA H H 26 7.148 7.148 7.492 -0.344 19731 4469 1 5 . 1 1 27 27 GLY N N 27 100.254 100.254 105.059 -4.805 19731 4470 1 5 . 1 1 27 27 GLY C C 27 176.520 176.520 176.246 0.274 19731 4471 1 5 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.468 0.513 19731 4472 1 5 . 1 1 27 27 GLY H H 27 8.957 8.957 7.762 1.195 19731 4473 1 5 . 1 1 28 28 ALA N N 28 123.296 123.296 124.757 -1.461 19731 4474 1 5 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.345 -0.155 19731 4475 1 5 . 1 1 28 28 ALA C C 28 179.373 179.373 178.828 0.545 19731 4476 1 5 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.969 1.623 19731 4477 1 5 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.235 0.097 19731 4478 1 5 . 1 1 28 28 ALA H H 28 7.090 7.090 7.486 -0.396 19731 4479 1 5 . 1 1 29 29 TRP N N 29 117.952 117.952 120.262 -2.310 19731 4480 1 5 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.370 0.347 19731 4481 1 5 . 1 1 29 29 TRP C C 29 179.973 179.973 177.942 2.031 19731 4482 1 5 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.197 -2.335 19731 4483 1 5 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.599 -1.543 19731 4484 1 5 . 1 1 29 29 TRP H H 29 7.649 7.649 8.515 -0.866 19731 4485 1 5 . 1 1 30 30 VAL N N 30 116.082 116.082 115.448 0.634 19731 4486 1 5 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.846 -0.290 19731 4487 1 5 . 1 1 30 30 VAL C C 30 176.542 176.542 177.515 -0.973 19731 4488 1 5 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.443 0.717 19731 4489 1 5 . 1 1 30 30 VAL CB C 30 32.030 32.030 30.644 1.386 19731 4490 1 5 . 1 1 30 30 VAL H H 30 7.263 7.263 7.530 -0.267 19731 4491 1 5 . 1 1 31 31 VAL N N 31 118.514 118.514 122.730 -4.216 19731 4492 1 5 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.786 -0.526 19731 4493 1 5 . 1 1 31 31 VAL C C 31 177.142 177.142 178.202 -1.060 19731 4494 1 5 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.679 0.968 19731 4495 1 5 . 1 1 31 31 VAL CB C 31 31.639 31.639 30.920 0.719 19731 4496 1 5 . 1 1 31 31 VAL H H 31 6.912 6.912 7.116 -0.204 19731 4497 1 5 . 1 1 32 32 GLU N N 32 117.882 117.882 119.241 -1.359 19731 4498 1 5 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.915 -0.124 19731 4499 1 5 . 1 1 32 32 GLU C C 32 179.715 179.715 178.612 1.103 19731 4500 1 5 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.346 0.708 19731 4501 1 5 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.250 0.823 19731 4502 1 5 . 1 1 32 32 GLU H H 32 9.069 9.069 8.213 0.856 19731 4503 1 5 . 1 1 33 33 GLU N N 33 120.202 120.202 120.830 -0.628 19731 4504 1 5 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.979 0.525 19731 4505 1 5 . 1 1 33 33 GLU C C 33 177.807 177.807 178.841 -1.034 19731 4506 1 5 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.862 -0.374 19731 4507 1 5 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.062 -0.085 19731 4508 1 5 . 1 1 33 33 GLU H H 33 7.967 7.967 7.477 0.490 19731 4509 1 5 . 1 1 34 34 LEU N N 34 121.046 121.046 119.834 1.212 19731 4510 1 5 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.945 0.078 19731 4511 1 5 . 1 1 34 34 LEU C C 34 178.429 178.429 178.931 -0.502 19731 4512 1 5 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.830 0.592 19731 4513 1 5 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.521 0.920 19731 4514 1 5 . 1 1 34 34 LEU H H 34 8.297 8.297 7.686 0.611 19731 4515 1 5 . 1 1 35 35 ALA N N 35 118.233 118.233 121.297 -3.064 19731 4516 1 5 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.930 -0.063 19731 4517 1 5 . 1 1 35 35 ALA C C 35 178.729 178.729 178.884 -0.155 19731 4518 1 5 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.235 0.435 19731 4519 1 5 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.247 -1.090 19731 4520 1 5 . 1 1 35 35 ALA H H 35 8.450 8.450 8.124 0.326 19731 4521 1 5 . 1 1 36 36 ARG N N 36 118.796 118.796 117.859 0.937 19731 4522 1 5 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.061 -0.021 19731 4523 1 5 . 1 1 36 36 ARG C C 36 181.217 181.217 178.383 2.834 19731 4524 1 5 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.826 0.993 19731 4525 1 5 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.480 0.063 19731 4526 1 5 . 1 1 36 36 ARG H H 36 8.063 8.063 7.548 0.515 19731 4527 1 5 . 1 1 37 37 ILE N N 37 119.077 119.077 118.579 0.498 19731 4528 1 5 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.864 -0.113 19731 4529 1 5 . 1 1 37 37 ILE C C 37 177.443 177.443 177.783 -0.340 19731 4530 1 5 . 1 1 37 37 ILE CA C 37 64.359 64.359 64.085 0.274 19731 4531 1 5 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.771 0.443 19731 4532 1 5 . 1 1 37 37 ILE H H 37 8.420 8.420 8.287 0.133 19731 4533 1 5 . 1 1 38 38 HIS N N 38 116.546 116.546 115.865 0.681 19731 4534 1 5 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.615 -0.216 19731 4535 1 5 . 1 1 38 38 HIS C C 38 173.452 173.452 175.006 -1.554 19731 4536 1 5 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.299 0.937 19731 4537 1 5 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.335 -0.636 19731 4538 1 5 . 1 1 38 38 HIS H H 38 7.635 7.635 7.922 -0.287 19731 4539 1 5 . 1 1 39 39 ASN N N 39 117.108 117.108 118.060 -0.952 19731 4540 1 5 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.453 -0.101 19731 4541 1 5 . 1 1 39 39 ASN C C 39 174.310 174.310 174.151 0.159 19731 4542 1 5 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.861 0.792 19731 4543 1 5 . 1 1 39 39 ASN CB C 39 37.353 37.353 36.900 0.453 19731 4544 1 5 . 1 1 39 39 ASN H H 39 7.942 7.942 7.826 0.116 19731 4545 1 5 . 1 1 40 40 VAL N N 40 119.921 119.921 118.376 1.545 19731 4546 1 5 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.260 -0.044 19731 4547 1 5 . 1 1 40 40 VAL C C 40 175.361 175.361 176.075 -0.714 19731 4548 1 5 . 1 1 40 40 VAL CA C 40 61.776 61.776 61.487 0.289 19731 4549 1 5 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.193 1.029 19731 4550 1 5 . 1 1 40 40 VAL H H 40 8.578 8.578 7.449 1.129 19731 4551 1 5 . 1 1 41 41 THR N N 41 123.878 123.878 121.433 2.445 19731 4552 1 5 . 1 1 41 41 THR HA H 41 4.231 4.231 4.277 -0.046 19731 4553 1 5 . 1 1 41 41 THR C C 41 174.033 174.033 174.425 -0.392 19731 4554 1 5 . 1 1 41 41 THR CA C 41 61.776 61.776 61.640 0.136 19731 4555 1 5 . 1 1 41 41 THR CB C 41 69.525 69.525 68.038 1.487 19731 4556 1 5 . 1 1 41 41 THR H H 41 8.617 8.617 8.637 -0.020 19731 4557 1 5 . 1 1 42 42 LEU N N 42 128.639 128.639 127.997 0.642 19731 4558 1 5 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.595 -0.258 19731 4559 1 5 . 1 1 42 42 LEU C C 42 175.919 175.919 176.782 -0.863 19731 4560 1 5 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.651 0.157 19731 4561 1 5 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.518 1.375 19731 4562 1 5 . 1 1 42 42 LEU H H 42 8.783 8.783 8.194 0.589 19731 4563 1 5 . 1 1 43 43 LYS N N 43 122.452 122.452 125.352 -2.900 19731 4564 1 5 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.506 0.083 19731 4565 1 5 . 1 1 43 43 LYS C C 43 175.619 175.619 175.489 0.130 19731 4566 1 5 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.986 -0.490 19731 4567 1 5 . 1 1 43 43 LYS CB C 43 35.944 35.944 33.822 2.122 19731 4568 1 5 . 1 1 43 43 LYS H H 43 8.738 8.738 8.838 -0.100 19731 4569 1 5 . 1 1 44 44 ASN N N 44 123.014 123.014 125.619 -2.605 19731 4570 1 5 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.895 -0.315 19731 4571 1 5 . 1 1 44 44 ASN C C 44 174.718 174.718 175.053 -0.335 19731 4572 1 5 . 1 1 44 44 ASN CA C 44 54.484 54.484 53.129 1.355 19731 4573 1 5 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.501 0.339 19731 4574 1 5 . 1 1 44 44 ASN H H 44 8.906 8.906 9.003 -0.097 19731 4575 1 5 . 1 1 45 45 GLU N N 45 128.921 128.921 126.276 2.645 19731 4576 1 5 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.799 -0.425 19731 4577 1 5 . 1 1 45 45 GLU C C 45 173.731 173.731 174.560 -0.829 19731 4578 1 5 . 1 1 45 45 GLU CA C 45 53.244 53.244 53.382 -0.138 19731 4579 1 5 . 1 1 45 45 GLU CB C 45 31.639 31.639 31.068 0.571 19731 4580 1 5 . 1 1 45 45 GLU H H 45 8.675 8.675 8.236 0.439 19731 4581 1 5 . 1 1 46 46 PRO HA H 46 3.988 3.988 3.995 -0.007 19731 4582 1 5 . 1 1 46 46 PRO C C 46 175.298 175.298 177.038 -1.740 19731 4583 1 5 . 1 1 46 46 PRO CA C 46 64.985 64.985 63.124 1.861 19731 4584 1 5 . 1 1 46 46 PRO CB C 46 32.030 32.030 32.241 -0.211 19731 4585 1 5 . 1 1 47 47 LYS N N 47 115.793 115.793 114.229 1.564 19731 4586 1 5 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.320 0.198 19731 4587 1 5 . 1 1 47 47 LYS C C 47 174.998 174.998 177.425 -2.427 19731 4588 1 5 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.377 -0.515 19731 4589 1 5 . 1 1 47 47 LYS CB C 47 31.561 31.561 30.341 1.220 19731 4590 1 5 . 1 1 47 47 LYS H H 47 8.239 8.239 7.838 0.401 19731 4591 1 5 . 1 1 48 48 PHE N N 48 114.577 114.577 116.332 -1.755 19731 4592 1 5 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.548 0.342 19731 4593 1 5 . 1 1 48 48 PHE C C 48 172.810 172.810 176.625 -3.815 19731 4594 1 5 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.462 -2.592 19731 4595 1 5 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.454 0.247 19731 4596 1 5 . 1 1 48 48 PHE H H 48 7.398 7.398 7.127 0.271 19731 4597 1 5 . 1 1 49 49 PHE N N 49 110.358 110.358 114.999 -4.641 19731 4598 1 5 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.106 -0.254 19731 4599 1 5 . 1 1 49 49 PHE C C 49 175.298 175.298 174.553 0.745 19731 4600 1 5 . 1 1 49 49 PHE CA C 49 58.019 58.019 59.022 -1.003 19731 4601 1 5 . 1 1 49 49 PHE CB C 49 36.431 36.431 36.941 -0.510 19731 4602 1 5 . 1 1 49 49 PHE H H 49 6.923 6.923 7.326 -0.403 19731 4603 1 5 . 1 1 50 50 GLY N N 50 136.915 136.915 104.158 32.757 19731 4604 1 5 . 1 1 50 50 GLY C C 50 170.643 170.643 171.854 -1.211 19731 4605 1 5 . 1 1 50 50 GLY CA C 50 47.138 47.138 45.176 1.962 19731 4606 1 5 . 1 1 50 50 GLY H H 50 6.836 6.836 7.620 -0.784 19731 4607 1 5 . 1 1 51 51 LEU N N 51 119.282 119.282 121.035 -1.753 19731 4608 1 5 . 1 1 51 51 LEU HA H 51 4.837 4.837 5.219 -0.382 19731 4609 1 5 . 1 1 51 51 LEU C C 51 177.164 177.164 177.148 0.016 19731 4610 1 5 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.143 -1.056 19731 4611 1 5 . 1 1 51 51 LEU CB C 51 44.163 44.163 42.715 1.448 19731 4612 1 5 . 1 1 51 51 LEU H H 51 8.692 8.692 8.511 0.181 19731 4613 1 5 . 1 1 52 52 THR N N 52 112.608 112.608 115.681 -3.073 19731 4614 1 5 . 1 1 52 52 THR HA H 52 5.529 5.529 5.450 0.079 19731 4615 1 5 . 1 1 52 52 THR C C 52 173.732 173.732 174.440 -0.708 19731 4616 1 5 . 1 1 52 52 THR CA C 52 59.036 59.036 59.610 -0.574 19731 4617 1 5 . 1 1 52 52 THR CB C 52 72.578 72.578 71.494 1.084 19731 4618 1 5 . 1 1 52 52 THR H H 52 9.230 9.230 9.163 0.067 19731 4619 1 5 . 1 1 53 53 GLY N N 53 105.858 105.858 109.655 -3.797 19731 4620 1 5 . 1 1 53 53 GLY C C 53 171.545 171.545 171.586 -0.041 19731 4621 1 5 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.119 0.905 19731 4622 1 5 . 1 1 53 53 GLY H H 53 7.881 7.881 9.150 -1.269 19731 4623 1 5 . 1 1 54 54 ARG N N 54 122.128 122.128 122.073 0.055 19731 4624 1 5 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.850 0.011 19731 4625 1 5 . 1 1 54 54 ARG C C 54 172.767 172.767 174.033 -1.266 19731 4626 1 5 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.613 0.136 19731 4627 1 5 . 1 1 54 54 ARG CB C 54 32.813 32.813 32.512 0.301 19731 4628 1 5 . 1 1 54 54 ARG H H 54 8.627 8.627 8.527 0.100 19731 4629 1 5 . 1 1 55 55 LEU N N 55 125.264 125.264 124.664 0.600 19731 4630 1 5 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.789 -0.205 19731 4631 1 5 . 1 1 55 55 LEU C C 55 174.011 174.011 174.897 -0.886 19731 4632 1 5 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.437 0.668 19731 4633 1 5 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.601 0.641 19731 4634 1 5 . 1 1 55 55 LEU H H 55 8.968 8.968 9.223 -0.255 19731 4635 1 5 . 1 1 56 56 LEU N N 56 123.577 123.577 127.093 -3.516 19731 4636 1 5 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.661 0.359 19731 4637 1 5 . 1 1 56 56 LEU C C 56 176.263 176.263 176.485 -0.222 19731 4638 1 5 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.729 -1.041 19731 4639 1 5 . 1 1 56 56 LEU CB C 56 43.694 43.694 41.969 1.725 19731 4640 1 5 . 1 1 56 56 LEU H H 56 8.405 8.405 8.583 -0.178 19731 4641 1 5 . 1 1 57 57 ILE N N 57 123.748 123.748 121.004 2.744 19731 4642 1 5 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.491 -0.281 19731 4643 1 5 . 1 1 57 57 ILE C C 57 175.655 175.655 175.576 0.079 19731 4644 1 5 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.290 0.842 19731 4645 1 5 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.580 -0.095 19731 4646 1 5 . 1 1 57 57 ILE H H 57 8.617 8.617 8.318 0.299 19731 4647 1 5 . 1 1 58 58 ASN N N 58 127.486 127.486 124.260 3.226 19731 4648 1 5 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.253 0.069 19731 4649 1 5 . 1 1 58 58 ASN C C 58 174.976 174.976 175.225 -0.249 19731 4650 1 5 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.841 -1.075 19731 4651 1 5 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.475 0.270 19731 4652 1 5 . 1 1 58 58 ASN H H 58 9.489 9.489 9.097 0.392 19731 4653 1 5 . 1 1 59 59 SER N N 59 106.702 106.702 116.219 -9.517 19731 4654 1 5 . 1 1 59 59 SER HA H 59 3.833 3.833 4.591 -0.758 19731 4655 1 5 . 1 1 59 59 SER C C 59 172.510 172.510 172.529 -0.019 19731 4656 1 5 . 1 1 59 59 SER CA C 59 60.445 60.445 58.443 2.002 19731 4657 1 5 . 1 1 59 59 SER CB C 59 62.246 62.246 65.434 -3.188 19731 4658 1 5 . 1 1 59 59 SER H H 59 8.664 8.664 8.267 0.397 19731 4659 1 5 . 1 1 60 60 GLN N N 60 120.764 120.764 121.421 -0.657 19731 4660 1 5 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.587 -0.097 19731 4661 1 5 . 1 1 60 60 GLN C C 60 174.310 174.310 173.656 0.654 19731 4662 1 5 . 1 1 60 60 GLN CA C 60 54.183 54.183 53.914 0.269 19731 4663 1 5 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.255 -1.087 19731 4664 1 5 . 1 1 60 60 GLN H H 60 7.925 7.925 7.903 0.022 19731 4665 1 5 . 1 1 61 61 GLU N N 61 122.452 122.452 124.975 -2.523 19731 4666 1 5 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.313 0.313 19731 4667 1 5 . 1 1 61 61 GLU C C 61 174.932 174.932 175.356 -0.424 19731 4668 1 5 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.953 -0.126 19731 4669 1 5 . 1 1 61 61 GLU CB C 61 31.639 31.639 28.690 2.949 19731 4670 1 5 . 1 1 61 61 GLU H H 61 8.613 8.613 8.717 -0.104 19731 4671 1 5 . 1 1 62 62 LEU N N 62 129.483 129.483 127.231 2.252 19731 4672 1 5 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.823 -0.340 19731 4673 1 5 . 1 1 62 62 LEU C C 62 175.276 175.276 175.772 -0.496 19731 4674 1 5 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.884 -0.171 19731 4675 1 5 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.519 1.897 19731 4676 1 5 . 1 1 62 62 LEU H H 62 9.131 9.131 8.607 0.524 19731 4677 1 5 . 1 1 63 63 ARG N N 63 125.546 125.546 126.509 -0.963 19731 4678 1 5 . 1 1 63 63 ARG HA H 63 4.884 4.884 4.852 0.032 19731 4679 1 5 . 1 1 63 63 ARG C C 63 174.998 174.998 174.543 0.455 19731 4680 1 5 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.415 1.568 19731 4681 1 5 . 1 1 63 63 ARG CB C 63 31.013 31.013 33.302 -2.289 19731 4682 1 5 . 1 1 63 63 ARG H H 63 7.802 7.802 8.974 -1.172 19731 4683 1 5 . 1 1 64 64 VAL N N 64 112.608 112.608 118.271 -5.663 19731 4684 1 5 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.328 0.512 19731 4685 1 5 . 1 1 64 64 VAL C C 64 174.353 174.353 173.429 0.924 19731 4686 1 5 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.386 -1.603 19731 4687 1 5 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.849 -0.922 19731 4688 1 5 . 1 1 64 64 VAL H H 64 8.199 8.199 8.654 -0.455 19731 4689 1 5 . 1 1 65 65 LEU N N 65 122.279 122.279 128.191 -5.912 19731 4690 1 5 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.556 -0.030 19731 4691 1 5 . 1 1 65 65 LEU C C 65 174.353 174.353 174.331 0.022 19731 4692 1 5 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.557 0.000 19731 4693 1 5 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.460 1.226 19731 4694 1 5 . 1 1 65 65 LEU H H 65 8.163 8.163 8.482 -0.319 19731 4695 1 5 . 1 1 66 66 ILE N N 66 126.952 126.952 125.899 1.053 19731 4696 1 5 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.219 -0.097 19731 4697 1 5 . 1 1 66 66 ILE C C 66 173.817 173.817 173.285 0.532 19731 4698 1 5 . 1 1 66 66 ILE CA C 66 58.567 58.567 57.037 1.530 19731 4699 1 5 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.919 -0.104 19731 4700 1 5 . 1 1 66 66 ILE H H 66 9.131 9.131 9.067 0.064 19731 4701 1 5 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.803 -0.295 19731 4702 1 5 . 1 1 67 67 PRO C C 67 177.786 177.786 176.580 1.206 19731 4703 1 5 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.732 0.471 19731 4704 1 5 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.700 0.409 19731 4705 1 5 . 1 1 68 68 THR N N 68 115.421 115.421 115.454 -0.033 19731 4706 1 5 . 1 1 68 68 THR HA H 68 4.370 4.370 4.285 0.085 19731 4707 1 5 . 1 1 68 68 THR C C 68 174.054 174.054 176.009 -1.955 19731 4708 1 5 . 1 1 68 68 THR CA C 68 60.445 60.445 64.677 -4.232 19731 4709 1 5 . 1 1 68 68 THR CB C 68 67.177 67.177 68.914 -1.737 19731 4710 1 5 . 1 1 68 68 THR H H 68 9.645 9.645 9.172 0.473 19731 4711 1 5 . 1 1 69 69 THR N N 69 110.954 110.954 118.696 -7.742 19731 4712 1 5 . 1 1 69 69 THR HA H 69 4.065 4.065 4.551 -0.486 19731 4713 1 5 . 1 1 69 69 THR C C 69 177.184 177.184 174.739 2.445 19731 4714 1 5 . 1 1 69 69 THR CA C 69 62.011 62.011 62.914 -0.903 19731 4715 1 5 . 1 1 69 69 THR CB C 69 71.013 71.013 68.231 2.782 19731 4716 1 5 . 1 1 69 69 THR H H 69 7.063 7.063 8.225 -1.162 19731 4717 1 5 . 1 1 70 70 PHE N N 70 111.483 111.483 124.996 -13.513 19731 4718 1 5 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.396 -0.140 19731 4719 1 5 . 1 1 70 70 PHE C C 70 179.029 179.029 175.173 3.856 19731 4720 1 5 . 1 1 70 70 PHE CA C 70 62.559 62.559 59.346 3.212 19731 4721 1 5 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.255 0.116 19731 4722 1 5 . 1 1 70 70 PHE H H 70 8.033 8.033 8.689 -0.656 19731 4723 1 5 . 1 1 71 71 MET N N 71 121.809 121.809 118.208 3.601 19731 4724 1 5 . 1 1 71 71 MET HA H 71 4.055 4.055 4.113 -0.058 19731 4725 1 5 . 1 1 71 71 MET C C 71 179.372 179.372 176.806 2.566 19731 4726 1 5 . 1 1 71 71 MET CA C 71 58.488 58.488 57.127 1.361 19731 4727 1 5 . 1 1 71 71 MET CB C 71 31.036 31.036 31.840 -0.804 19731 4728 1 5 . 1 1 71 71 MET H H 71 8.671 8.671 7.814 0.857 19731 4729 1 5 . 1 1 72 72 ASN N N 72 115.648 115.648 116.184 -0.536 19731 4730 1 5 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.591 -0.434 19731 4731 1 5 . 1 1 72 72 ASN C C 72 173.454 173.454 177.049 -3.595 19731 4732 1 5 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.358 -0.549 19731 4733 1 5 . 1 1 72 72 ASN CB C 72 36.805 36.805 39.026 -2.221 19731 4734 1 5 . 1 1 72 72 ASN H H 72 8.817 8.817 7.983 0.834 19731 4735 1 5 . 1 1 73 73 LEU N N 73 119.077 119.077 119.768 -0.691 19731 4736 1 5 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.286 0.687 19731 4737 1 5 . 1 1 73 73 LEU C C 73 177.485 177.485 178.143 -0.658 19731 4738 1 5 . 1 1 73 73 LEU CA C 73 53.870 53.870 56.497 -2.627 19731 4739 1 5 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.230 2.307 19731 4740 1 5 . 1 1 73 73 LEU H H 73 7.362 7.362 7.887 -0.525 19731 4741 1 5 . 1 1 74 74 SER N N 74 114.067 114.067 117.324 -3.257 19731 4742 1 5 . 1 1 74 74 SER HA H 74 4.084 4.084 4.156 -0.072 19731 4743 1 5 . 1 1 74 74 SER C C 74 175.640 175.640 176.813 -1.173 19731 4744 1 5 . 1 1 74 74 SER CA C 74 63.498 63.498 61.987 1.511 19731 4745 1 5 . 1 1 74 74 SER CB C 74 66.081 66.081 62.415 3.666 19731 4746 1 5 . 1 1 74 74 SER H H 74 7.499 7.499 7.776 -0.277 19731 4747 1 5 . 1 1 75 75 GLY N N 75 107.827 107.827 109.846 -2.019 19731 4748 1 5 . 1 1 75 75 GLY C C 75 174.954 174.954 176.344 -1.390 19731 4749 1 5 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.662 1.337 19731 4750 1 5 . 1 1 75 75 GLY H H 75 10.017 10.017 8.271 1.746 19731 4751 1 5 . 1 1 76 76 LYS N N 76 120.250 120.250 122.481 -2.231 19731 4752 1 5 . 1 1 76 76 LYS HA H 76 3.973 3.973 4.069 -0.096 19731 4753 1 5 . 1 1 76 76 LYS C C 76 179.051 179.051 178.999 0.052 19731 4754 1 5 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.245 0.026 19731 4755 1 5 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.322 0.491 19731 4756 1 5 . 1 1 76 76 LYS H H 76 7.975 7.975 8.148 -0.173 19731 4757 1 5 . 1 1 77 77 ALA N N 77 121.046 121.046 124.080 -3.034 19731 4758 1 5 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.406 0.032 19731 4759 1 5 . 1 1 77 77 ALA C C 77 177.463 177.463 179.616 -2.153 19731 4760 1 5 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.130 -0.164 19731 4761 1 5 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.734 2.024 19731 4762 1 5 . 1 1 77 77 ALA H H 77 6.824 6.824 8.183 -1.359 19731 4763 1 5 . 1 1 78 78 ILE N N 78 115.422 115.422 119.024 -3.602 19731 4764 1 5 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.695 -0.573 19731 4765 1 5 . 1 1 78 78 ILE C C 78 177.163 177.163 177.902 -0.739 19731 4766 1 5 . 1 1 78 78 ILE CA C 78 65.846 65.846 65.102 0.744 19731 4767 1 5 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.674 1.480 19731 4768 1 5 . 1 1 78 78 ILE H H 78 7.124 7.124 8.124 -1.000 19731 4769 1 5 . 1 1 79 79 ALA N N 79 117.952 117.952 122.974 -5.022 19731 4770 1 5 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.966 -0.030 19731 4771 1 5 . 1 1 79 79 ALA C C 79 179.329 179.329 179.267 0.062 19731 4772 1 5 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.421 -0.377 19731 4773 1 5 . 1 1 79 79 ALA CB C 79 18.410 18.410 18.054 0.356 19731 4774 1 5 . 1 1 79 79 ALA H H 79 8.644 8.644 8.710 -0.066 19731 4775 1 5 . 1 1 80 80 ALA N N 80 118.796 118.796 121.476 -2.680 19731 4776 1 5 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.224 0.083 19731 4777 1 5 . 1 1 80 80 ALA C C 80 180.616 180.616 179.594 1.022 19731 4778 1 5 . 1 1 80 80 ALA CA C 80 55.592 55.592 55.027 0.565 19731 4779 1 5 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.498 0.225 19731 4780 1 5 . 1 1 80 80 ALA H H 80 7.442 7.442 7.804 -0.362 19731 4781 1 5 . 1 1 81 81 LEU N N 81 119.878 119.878 120.770 -0.892 19731 4782 1 5 . 1 1 81 81 LEU HA H 81 3.604 3.604 4.276 -0.672 19731 4783 1 5 . 1 1 81 81 LEU C C 81 178.750 178.750 178.611 0.139 19731 4784 1 5 . 1 1 81 81 LEU CA C 81 59.271 59.271 58.005 1.266 19731 4785 1 5 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.569 1.029 19731 4786 1 5 . 1 1 81 81 LEU H H 81 7.953 7.953 8.157 -0.204 19731 4787 1 5 . 1 1 82 82 ALA N N 82 120.764 120.764 119.828 0.936 19731 4788 1 5 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.885 -0.002 19731 4789 1 5 . 1 1 82 82 ALA C C 82 180.273 180.273 179.722 0.551 19731 4790 1 5 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.973 1.167 19731 4791 1 5 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.117 -0.881 19731 4792 1 5 . 1 1 82 82 ALA H H 82 8.906 8.906 8.510 0.396 19731 4793 1 5 . 1 1 83 83 ASN N N 83 113.733 113.733 118.307 -4.574 19731 4794 1 5 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.536 -0.010 19731 4795 1 5 . 1 1 83 83 ASN C C 83 178.085 178.085 177.668 0.417 19731 4796 1 5 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.248 -0.421 19731 4797 1 5 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.883 -0.512 19731 4798 1 5 . 1 1 83 83 ASN H H 83 8.644 8.644 8.019 0.625 19731 4799 1 5 . 1 1 84 84 PHE N N 84 121.327 121.327 117.990 3.337 19731 4800 1 5 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.429 -0.368 19731 4801 1 5 . 1 1 84 84 PHE C C 84 177.164 177.164 177.250 -0.086 19731 4802 1 5 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.151 1.938 19731 4803 1 5 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.723 1.683 19731 4804 1 5 . 1 1 84 84 PHE H H 84 7.621 7.621 8.278 -0.657 19731 4805 1 5 . 1 1 85 85 TYR N N 85 112.890 112.890 118.349 -5.459 19731 4806 1 5 . 1 1 85 85 TYR HA H 85 4.507 4.507 3.957 0.550 19731 4807 1 5 . 1 1 85 85 TYR C C 85 173.732 173.732 175.676 -1.944 19731 4808 1 5 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.159 0.034 19731 4809 1 5 . 1 1 85 85 TYR CB C 85 38.919 38.919 38.183 0.736 19731 4810 1 5 . 1 1 85 85 TYR H H 85 7.578 7.578 7.171 0.407 19731 4811 1 5 . 1 1 86 86 GLN N N 86 117.671 117.671 115.399 2.272 19731 4812 1 5 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.990 -0.047 19731 4813 1 5 . 1 1 86 86 GLN C C 86 174.675 174.675 174.704 -0.029 19731 4814 1 5 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.774 0.462 19731 4815 1 5 . 1 1 86 86 GLN CB C 86 25.846 25.846 27.169 -1.323 19731 4816 1 5 . 1 1 86 86 GLN H H 86 7.691 7.691 7.625 0.066 19731 4817 1 5 . 1 1 87 87 ILE N N 87 122.171 122.171 118.639 3.532 19731 4818 1 5 . 1 1 87 87 ILE HA H 87 3.997 3.997 3.967 0.030 19731 4819 1 5 . 1 1 87 87 ILE C C 87 175.597 175.597 176.487 -0.890 19731 4820 1 5 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.873 1.746 19731 4821 1 5 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.858 2.626 19731 4822 1 5 . 1 1 87 87 ILE H H 87 8.786 8.786 7.398 1.388 19731 4823 1 5 . 1 1 88 88 LYS N N 88 128.639 128.639 126.680 1.959 19731 4824 1 5 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.516 -0.595 19731 4825 1 5 . 1 1 88 88 LYS CA C 88 54.887 54.887 54.632 0.255 19731 4826 1 5 . 1 1 88 88 LYS CB C 88 31.639 31.639 32.013 -0.374 19731 4827 1 5 . 1 1 88 88 LYS H H 88 8.957 8.957 8.648 0.309 19731 4828 1 5 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.221 -0.201 19731 4829 1 5 . 1 1 89 89 PRO C C 89 176.542 176.542 178.148 -1.606 19731 4830 1 5 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.432 0.865 19731 4831 1 5 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.697 0.006 19731 4832 1 5 . 1 1 90 90 GLU N N 90 111.202 111.202 115.707 -4.505 19731 4833 1 5 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.452 -0.144 19731 4834 1 5 . 1 1 90 90 GLU C C 90 176.241 176.241 177.050 -0.809 19731 4835 1 5 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.248 0.788 19731 4836 1 5 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.760 -0.252 19731 4837 1 5 . 1 1 90 90 GLU H H 90 9.328 9.328 9.049 0.279 19731 4838 1 5 . 1 1 91 91 GLU N N 91 116.265 116.265 116.582 -0.317 19731 4839 1 5 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.385 0.547 19731 4840 1 5 . 1 1 91 91 GLU C C 91 175.254 175.254 174.530 0.724 19731 4841 1 5 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.194 -0.541 19731 4842 1 5 . 1 1 91 91 GLU CB C 91 30.856 30.856 31.071 -0.215 19731 4843 1 5 . 1 1 91 91 GLU H H 91 8.101 8.101 8.050 0.051 19731 4844 1 5 . 1 1 92 92 ILE N N 92 122.683 122.683 121.094 1.589 19731 4845 1 5 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.412 -0.178 19731 4846 1 5 . 1 1 92 92 ILE C C 92 173.710 173.710 174.628 -0.918 19731 4847 1 5 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.035 1.802 19731 4848 1 5 . 1 1 92 92 ILE CB C 92 40.171 40.171 37.994 2.177 19731 4849 1 5 . 1 1 92 92 ILE H H 92 8.042 8.042 7.293 0.749 19731 4850 1 5 . 1 1 93 93 MET N N 93 125.264 125.264 126.392 -1.128 19731 4851 1 5 . 1 1 93 93 MET HA H 93 5.215 5.215 5.481 -0.266 19731 4852 1 5 . 1 1 93 93 MET C C 93 173.454 173.454 174.630 -1.176 19731 4853 1 5 . 1 1 93 93 MET CA C 93 53.322 53.322 54.278 -0.956 19731 4854 1 5 . 1 1 93 93 MET CB C 93 36.570 36.570 36.492 0.078 19731 4855 1 5 . 1 1 93 93 MET H H 93 9.187 9.187 8.116 1.071 19731 4856 1 5 . 1 1 94 94 VAL N N 94 128.639 128.639 121.385 7.254 19731 4857 1 5 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.391 -0.793 19731 4858 1 5 . 1 1 94 94 VAL C C 94 174.675 174.675 173.612 1.063 19731 4859 1 5 . 1 1 94 94 VAL CA C 94 61.306 61.306 59.107 2.199 19731 4860 1 5 . 1 1 94 94 VAL CB C 94 33.518 33.518 35.994 -2.476 19731 4861 1 5 . 1 1 94 94 VAL H H 94 9.406 9.406 8.638 0.768 19731 4862 1 5 . 1 1 95 95 ALA N N 95 132.577 132.577 130.133 2.444 19731 4863 1 5 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.783 -0.048 19731 4864 1 5 . 1 1 95 95 ALA C C 95 175.640 175.640 176.023 -0.383 19731 4865 1 5 . 1 1 95 95 ALA CA C 95 50.191 50.191 49.790 0.401 19731 4866 1 5 . 1 1 95 95 ALA CB C 95 20.210 20.210 21.783 -1.573 19731 4867 1 5 . 1 1 95 95 ALA H H 95 10.008 10.008 9.154 0.854 19731 4868 1 5 . 1 1 96 96 HIS N N 96 119.077 119.077 119.718 -0.641 19731 4869 1 5 . 1 1 96 96 HIS HA H 96 5.347 5.347 4.957 0.390 19731 4870 1 5 . 1 1 96 96 HIS C C 96 171.543 171.543 173.330 -1.787 19731 4871 1 5 . 1 1 96 96 HIS CA C 96 53.870 53.870 55.574 -1.704 19731 4872 1 5 . 1 1 96 96 HIS CB C 96 32.578 32.578 34.703 -2.125 19731 4873 1 5 . 1 1 96 96 HIS H H 96 8.972 8.972 8.633 0.339 19731 4874 1 5 . 1 1 97 97 ASP N N 97 115.983 115.983 119.777 -3.794 19731 4875 1 5 . 1 1 97 97 ASP HA H 97 4.695 4.695 5.045 -0.350 19731 4876 1 5 . 1 1 97 97 ASP C C 97 178.064 178.064 175.445 2.619 19731 4877 1 5 . 1 1 97 97 ASP CA C 97 53.635 53.635 53.213 0.422 19731 4878 1 5 . 1 1 97 97 ASP CB C 97 40.249 40.249 42.233 -1.984 19731 4879 1 5 . 1 1 97 97 ASP H H 97 10.517 10.517 8.687 1.830 19731 4880 1 5 . 1 1 98 98 GLU N N 98 127.233 127.233 120.438 6.795 19731 4881 1 5 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.914 0.241 19731 4882 1 5 . 1 1 98 98 GLU C C 98 174.932 174.932 176.182 -1.250 19731 4883 1 5 . 1 1 98 98 GLU CA C 98 53.635 53.635 54.853 -1.218 19731 4884 1 5 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.025 0.414 19731 4885 1 5 . 1 1 98 98 GLU H H 98 9.194 9.194 9.028 0.166 19731 4886 1 5 . 1 1 99 99 LEU N N 99 132.858 132.858 121.652 11.206 19731 4887 1 5 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.855 -0.229 19731 4888 1 5 . 1 1 99 99 LEU C C 99 178.128 178.128 176.762 1.366 19731 4889 1 5 . 1 1 99 99 LEU CA C 99 57.001 57.001 54.726 2.275 19731 4890 1 5 . 1 1 99 99 LEU CB C 99 44.555 44.555 42.860 1.695 19731 4891 1 5 . 1 1 99 99 LEU H H 99 8.692 8.692 8.861 -0.169 19731 4892 1 5 . 1 1 100 100 ASP N N 100 113.733 113.733 119.578 -5.845 19731 4893 1 5 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.544 0.067 19731 4894 1 5 . 1 1 100 100 ASP C C 100 175.276 175.276 176.279 -1.003 19731 4895 1 5 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.505 -0.539 19731 4896 1 5 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.794 -0.918 19731 4897 1 5 . 1 1 100 100 ASP H H 100 9.191 9.191 8.774 0.417 19731 4898 1 5 . 1 1 101 101 LEU N N 101 119.932 119.932 120.448 -0.516 19731 4899 1 5 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.898 -0.097 19731 4900 1 5 . 1 1 101 101 LEU C C 101 172.522 172.522 174.263 -1.741 19731 4901 1 5 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.418 -0.053 19731 4902 1 5 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.341 0.997 19731 4903 1 5 . 1 1 101 101 LEU H H 101 7.427 7.427 7.495 -0.068 19731 4904 1 5 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.456 0.025 19731 4905 1 5 . 1 1 103 103 PRO C C 103 178.429 178.429 177.011 1.418 19731 4906 1 5 . 1 1 103 103 PRO CA C 103 62.922 62.922 62.831 0.091 19731 4907 1 5 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.303 0.119 19731 4908 1 5 . 1 1 104 104 GLY N N 104 113.733 113.733 113.770 -0.037 19731 4909 1 5 . 1 1 104 104 GLY C C 104 172.144 172.144 172.511 -0.367 19731 4910 1 5 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.285 0.679 19731 4911 1 5 . 1 1 104 104 GLY H H 104 9.826 9.826 9.028 0.798 19731 4912 1 5 . 1 1 105 105 VAL N N 105 116.265 116.265 114.010 2.255 19731 4913 1 5 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.187 -0.483 19731 4914 1 5 . 1 1 105 105 VAL C C 105 174.654 174.654 173.665 0.989 19731 4915 1 5 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.557 0.966 19731 4916 1 5 . 1 1 105 105 VAL CB C 105 34.927 34.927 35.335 -0.408 19731 4917 1 5 . 1 1 105 105 VAL H H 105 7.518 7.518 7.149 0.369 19731 4918 1 5 . 1 1 106 106 ALA N N 106 129.764 129.764 123.228 6.536 19731 4919 1 5 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.503 -0.088 19731 4920 1 5 . 1 1 106 106 ALA C C 106 174.954 174.954 176.026 -1.072 19731 4921 1 5 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.295 1.226 19731 4922 1 5 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.101 1.632 19731 4923 1 5 . 1 1 106 106 ALA H H 106 9.484 9.484 8.703 0.781 19731 4924 1 5 . 1 1 107 107 LYS N N 107 113.733 113.733 121.251 -7.518 19731 4925 1 5 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.838 0.083 19731 4926 1 5 . 1 1 107 107 LYS C C 107 176.262 176.262 174.984 1.278 19731 4927 1 5 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.023 -0.449 19731 4928 1 5 . 1 1 107 107 LYS CB C 107 39.623 39.623 35.600 4.023 19731 4929 1 5 . 1 1 107 107 LYS H H 107 8.184 8.184 8.506 -0.322 19731 4930 1 5 . 1 1 108 108 PHE N N 108 122.733 122.733 126.734 -4.001 19731 4931 1 5 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.759 1.262 19731 4932 1 5 . 1 1 108 108 PHE C C 108 177.828 177.828 174.523 3.305 19731 4933 1 5 . 1 1 108 108 PHE CA C 108 56.688 56.688 57.502 -0.814 19731 4934 1 5 . 1 1 108 108 PHE CB C 108 42.128 42.128 40.477 1.651 19731 4935 1 5 . 1 1 108 108 PHE H H 108 11.610 11.610 8.763 2.847 19731 4936 1 5 . 1 1 109 109 LYS N N 109 122.733 122.733 129.873 -7.140 19731 4937 1 5 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.479 0.124 19731 4938 1 5 . 1 1 109 109 LYS C C 109 173.152 173.152 174.016 -0.864 19731 4939 1 5 . 1 1 109 109 LYS CA C 109 56.218 56.218 53.990 2.228 19731 4940 1 5 . 1 1 109 109 LYS CB C 109 38.449 38.449 34.659 3.790 19731 4941 1 5 . 1 1 109 109 LYS H H 109 9.275 9.275 8.815 0.460 19731 4942 1 5 . 1 1 110 110 GLN N N 110 126.952 126.952 125.691 1.261 19731 4943 1 5 . 1 1 110 110 GLN HA H 110 4.126 4.126 3.506 0.620 19731 4944 1 5 . 1 1 110 110 GLN C C 110 175.040 175.040 175.479 -0.439 19731 4945 1 5 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.724 1.167 19731 4946 1 5 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.309 -0.862 19731 4947 1 5 . 1 1 110 110 GLN H H 110 8.910 8.910 8.434 0.476 19731 4948 1 5 . 1 1 111 111 GLY N N 111 113.910 113.910 113.996 -0.086 19731 4949 1 5 . 1 1 111 111 GLY C C 111 171.543 171.543 173.514 -1.971 19731 4950 1 5 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.530 0.103 19731 4951 1 5 . 1 1 111 111 GLY H H 111 7.170 7.170 7.638 -0.468 19731 4952 1 5 . 1 1 112 112 GLY N N 112 102.365 102.365 111.338 -8.973 19731 4953 1 5 . 1 1 112 112 GLY C C 112 174.954 174.954 173.372 1.582 19731 4954 1 5 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.677 -1.296 19731 4955 1 5 . 1 1 112 112 GLY H H 112 7.634 7.634 8.086 -0.452 19731 4956 1 5 . 1 1 113 113 GLY N N 113 104.247 104.247 109.798 -5.551 19731 4957 1 5 . 1 1 113 113 GLY C C 113 174.737 174.737 172.747 1.990 19731 4958 1 5 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.655 -0.250 19731 4959 1 5 . 1 1 113 113 GLY H H 113 8.109 8.109 7.889 0.220 19731 4960 1 5 . 1 1 114 114 HIS N N 114 114.133 114.133 115.807 -1.674 19731 4961 1 5 . 1 1 114 114 HIS HA H 114 4.521 4.521 5.099 -0.578 19731 4962 1 5 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.088 1.109 19731 4963 1 5 . 1 1 114 114 HIS CB C 114 31.659 31.659 31.260 0.399 19731 4964 1 5 . 1 1 114 114 HIS H H 114 7.472 7.472 7.598 -0.126 19731 4965 1 5 . 1 1 115 115 GLY N N 115 111.756 111.756 110.505 1.251 19731 4966 1 5 . 1 1 115 115 GLY C C 115 175.298 175.298 174.957 0.341 19731 4967 1 5 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.303 2.605 19731 4968 1 5 . 1 1 115 115 GLY H H 115 8.472 8.472 8.886 -0.414 19731 4969 1 5 . 1 1 116 116 GLY N N 116 112.890 112.890 108.026 4.864 19731 4970 1 5 . 1 1 116 116 GLY C C 116 174.010 174.010 173.957 0.053 19731 4971 1 5 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.181 -0.463 19731 4972 1 5 . 1 1 116 116 GLY H H 116 11.124 11.124 8.356 2.768 19731 4973 1 5 . 1 1 117 117 HIS N N 117 124.702 124.702 118.821 5.881 19731 4974 1 5 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.781 -0.247 19731 4975 1 5 . 1 1 117 117 HIS C C 117 177.485 177.485 175.625 1.860 19731 4976 1 5 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.531 2.621 19731 4977 1 5 . 1 1 117 117 HIS CB C 117 32.422 32.422 31.646 0.776 19731 4978 1 5 . 1 1 117 117 HIS H H 117 8.275 8.275 7.859 0.416 19731 4979 1 5 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.334 0.019 19731 4980 1 5 . 1 1 118 118 ASN C C 118 178.751 178.751 177.341 1.410 19731 4981 1 5 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.818 -0.208 19731 4982 1 5 . 1 1 118 118 ASN CB C 118 38.214 38.214 37.975 0.239 19731 4983 1 5 . 1 1 119 119 GLY N N 119 112.608 112.608 108.610 3.998 19731 4984 1 5 . 1 1 119 119 GLY C C 119 177.163 177.163 176.090 1.073 19731 4985 1 5 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.325 0.048 19731 4986 1 5 . 1 1 119 119 GLY H H 119 9.608 9.608 8.118 1.490 19731 4987 1 5 . 1 1 120 120 LEU N N 120 125.827 125.827 121.774 4.053 19731 4988 1 5 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.416 -0.443 19731 4989 1 5 . 1 1 120 120 LEU C C 120 178.729 178.729 179.216 -0.487 19731 4990 1 5 . 1 1 120 120 LEU CA C 120 57.940 57.940 55.183 2.757 19731 4991 1 5 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.595 2.238 19731 4992 1 5 . 1 1 120 120 LEU H H 120 8.199 8.199 7.741 0.458 19731 4993 1 5 . 1 1 121 121 LYS N N 121 119.921 119.921 122.209 -2.288 19731 4994 1 5 . 1 1 121 121 LYS HA H 121 3.681 3.681 3.984 -0.303 19731 4995 1 5 . 1 1 121 121 LYS C C 121 178.708 178.708 178.459 0.249 19731 4996 1 5 . 1 1 121 121 LYS CA C 121 60.837 60.837 59.004 1.833 19731 4997 1 5 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.884 1.320 19731 4998 1 5 . 1 1 121 121 LYS H H 121 8.760 8.760 8.532 0.228 19731 4999 1 5 . 1 1 122 122 ASP N N 122 117.389 117.389 118.818 -1.429 19731 5000 1 5 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.447 0.103 19731 5001 1 5 . 1 1 122 122 ASP C C 122 178.107 178.107 178.030 0.077 19731 5002 1 5 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.306 0.869 19731 5003 1 5 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.822 2.872 19731 5004 1 5 . 1 1 122 122 ASP H H 122 7.245 7.245 8.560 -1.315 19731 5005 1 5 . 1 1 123 123 THR N N 123 116.546 116.546 116.491 0.055 19731 5006 1 5 . 1 1 123 123 THR HA H 123 3.830 3.830 3.901 -0.071 19731 5007 1 5 . 1 1 123 123 THR C C 123 174.696 174.696 176.436 -1.740 19731 5008 1 5 . 1 1 123 123 THR CA C 123 69.447 69.447 66.456 2.991 19731 5009 1 5 . 1 1 123 123 THR CB C 123 67.803 67.803 68.803 -1.000 19731 5010 1 5 . 1 1 123 123 THR H H 123 7.639 7.639 7.369 0.270 19731 5011 1 5 . 1 1 124 124 ILE N N 124 118.736 118.736 121.258 -2.522 19731 5012 1 5 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.648 0.745 19731 5013 1 5 . 1 1 124 124 ILE C C 124 179.051 179.051 178.302 0.749 19731 5014 1 5 . 1 1 124 124 ILE CA C 124 65.453 65.453 63.441 2.013 19731 5015 1 5 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.520 3.058 19731 5016 1 5 . 1 1 124 124 ILE H H 124 8.078 8.078 8.064 0.014 19731 5017 1 5 . 1 1 125 125 SER N N 125 110.921 110.921 116.216 -5.295 19731 5018 1 5 . 1 1 125 125 SER HA H 125 4.177 4.177 4.138 0.039 19731 5019 1 5 . 1 1 125 125 SER C C 125 178.729 178.729 176.238 2.491 19731 5020 1 5 . 1 1 125 125 SER CA C 125 61.619 61.619 61.642 -0.023 19731 5021 1 5 . 1 1 125 125 SER CB C 125 63.263 63.263 62.852 0.411 19731 5022 1 5 . 1 1 125 125 SER H H 125 7.397 7.397 8.425 -1.028 19731 5023 1 5 . 1 1 126 126 LYS N N 126 119.572 119.572 118.330 1.242 19731 5024 1 5 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.271 -0.024 19731 5025 1 5 . 1 1 126 126 LYS C C 126 178.407 178.407 176.967 1.440 19731 5026 1 5 . 1 1 126 126 LYS CA C 126 58.019 58.019 56.197 1.821 19731 5027 1 5 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.174 -0.300 19731 5028 1 5 . 1 1 126 126 LYS H H 126 8.457 8.457 8.036 0.421 19731 5029 1 5 . 1 1 127 127 LEU N N 127 119.633 119.633 116.757 2.876 19731 5030 1 5 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.454 0.111 19731 5031 1 5 . 1 1 127 127 LEU C C 127 176.542 176.542 177.663 -1.121 19731 5032 1 5 . 1 1 127 127 LEU CA C 127 54.291 54.291 54.806 -0.515 19731 5033 1 5 . 1 1 127 127 LEU CB C 127 40.451 40.451 43.547 -3.096 19731 5034 1 5 . 1 1 127 127 LEU H H 127 7.753 7.753 7.423 0.330 19731 5035 1 5 . 1 1 128 128 GLY N N 128 107.827 107.827 109.031 -1.204 19731 5036 1 5 . 1 1 128 128 GLY C C 128 179.094 179.094 173.839 5.255 19731 5037 1 5 . 1 1 128 128 GLY CA C 128 46.903 46.903 45.628 1.275 19731 5038 1 5 . 1 1 128 128 GLY H H 128 7.773 7.773 8.252 -0.479 19731 5039 1 5 . 1 1 129 129 ASN N N 129 115.879 115.879 122.532 -6.653 19731 5040 1 5 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.763 -0.411 19731 5041 1 5 . 1 1 129 129 ASN C C 129 175.028 175.028 174.737 0.291 19731 5042 1 5 . 1 1 129 129 ASN CA C 129 54.261 54.261 52.475 1.786 19731 5043 1 5 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.901 -1.861 19731 5044 1 5 . 1 1 129 129 ASN H H 129 8.246 8.246 8.611 -0.365 19731 5045 1 5 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.875 -0.181 19731 5046 1 5 . 1 1 131 131 LYS C C 131 178.450 178.450 175.488 2.962 19731 5047 1 5 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.031 0.523 19731 5048 1 5 . 1 1 131 131 LYS CB C 131 33.204 33.204 31.526 1.678 19731 5049 1 5 . 1 1 132 132 GLU N N 132 119.297 119.297 121.886 -2.589 19731 5050 1 5 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.215 -0.342 19731 5051 1 5 . 1 1 132 132 GLU C C 132 175.318 175.318 176.302 -0.984 19731 5052 1 5 . 1 1 132 132 GLU CA C 132 56.923 56.923 56.786 0.137 19731 5053 1 5 . 1 1 132 132 GLU CB C 132 27.803 27.803 30.434 -2.631 19731 5054 1 5 . 1 1 132 132 GLU H H 132 8.699 8.699 8.679 0.020 19731 5055 1 5 . 1 1 133 133 PHE N N 133 114.296 114.296 118.067 -3.771 19731 5056 1 5 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.968 0.099 19731 5057 1 5 . 1 1 133 133 PHE C C 133 177.785 177.785 175.067 2.718 19731 5058 1 5 . 1 1 133 133 PHE CA C 133 55.201 55.201 56.282 -1.081 19731 5059 1 5 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.584 1.665 19731 5060 1 5 . 1 1 133 133 PHE H H 133 6.669 6.669 7.870 -1.201 19731 5061 1 5 . 1 1 134 134 TYR N N 134 121.046 121.046 122.122 -1.076 19731 5062 1 5 . 1 1 134 134 TYR HA H 134 4.973 4.973 4.978 -0.005 19731 5063 1 5 . 1 1 134 134 TYR C C 134 176.219 176.219 175.885 0.334 19731 5064 1 5 . 1 1 134 134 TYR CA C 134 59.506 59.506 57.153 2.353 19731 5065 1 5 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.051 1.607 19731 5066 1 5 . 1 1 134 134 TYR H H 134 9.230 9.230 8.338 0.892 19731 5067 1 5 . 1 1 135 135 ARG N N 135 119.639 119.639 119.836 -0.197 19731 5068 1 5 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.432 0.476 19731 5069 1 5 . 1 1 135 135 ARG C C 135 174.353 174.353 174.035 0.318 19731 5070 1 5 . 1 1 135 135 ARG CA C 135 54.758 54.758 54.581 0.177 19731 5071 1 5 . 1 1 135 135 ARG CB C 135 32.187 32.187 34.230 -2.043 19731 5072 1 5 . 1 1 135 135 ARG H H 135 9.896 9.896 8.897 0.999 19731 5073 1 5 . 1 1 136 136 LEU N N 136 126.108 126.108 118.888 7.220 19731 5074 1 5 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.880 -1.022 19731 5075 1 5 . 1 1 136 136 LEU C C 136 173.131 173.131 175.658 -2.527 19731 5076 1 5 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.244 1.487 19731 5077 1 5 . 1 1 136 136 LEU CB C 136 42.989 42.989 45.420 -2.431 19731 5078 1 5 . 1 1 136 136 LEU H H 136 8.601 8.601 9.081 -0.480 19731 5079 1 5 . 1 1 137 137 ARG N N 137 124.421 124.421 123.369 1.052 19731 5080 1 5 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.050 -1.510 19731 5081 1 5 . 1 1 137 137 ARG C C 137 174.010 174.010 175.000 -0.990 19731 5082 1 5 . 1 1 137 137 ARG CA C 137 54.484 54.484 54.724 -0.240 19731 5083 1 5 . 1 1 137 137 ARG CB C 137 32.265 32.265 34.068 -1.803 19731 5084 1 5 . 1 1 137 137 ARG H H 137 9.230 9.230 8.680 0.550 19731 5085 1 5 . 1 1 138 138 LEU N N 138 125.827 125.827 127.246 -1.419 19731 5086 1 5 . 1 1 138 138 LEU HA H 138 4.449 4.449 5.076 -0.627 19731 5087 1 5 . 1 1 138 138 LEU C C 138 175.940 175.940 176.853 -0.913 19731 5088 1 5 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.746 0.124 19731 5089 1 5 . 1 1 138 138 LEU CB C 138 41.580 41.580 42.327 -0.747 19731 5090 1 5 . 1 1 138 138 LEU H H 138 8.640 8.640 9.262 -0.622 19731 5091 1 5 . 1 1 139 139 GLY N N 139 113.171 113.171 112.756 0.415 19731 5092 1 5 . 1 1 139 139 GLY C C 139 174.353 174.353 174.178 0.175 19731 5093 1 5 . 1 1 139 139 GLY CA C 139 48.782 48.782 46.096 2.686 19731 5094 1 5 . 1 1 139 139 GLY H H 139 8.578 8.578 9.411 -0.833 19731 5095 1 5 . 1 1 140 140 ILE N N 140 112.046 112.046 120.363 -8.317 19731 5096 1 5 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.571 0.190 19731 5097 1 5 . 1 1 140 140 ILE C C 140 178.707 178.707 175.014 3.693 19731 5098 1 5 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.632 1.205 19731 5099 1 5 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.935 3.115 19731 5100 1 5 . 1 1 140 140 ILE H H 140 8.125 8.125 8.834 -0.709 19731 5101 1 5 . 1 1 141 141 GLY N N 141 116.265 116.265 108.732 7.533 19731 5102 1 5 . 1 1 141 141 GLY C C 141 167.232 167.232 172.244 -5.012 19731 5103 1 5 . 1 1 141 141 GLY CA C 141 45.416 45.416 43.761 1.655 19731 5104 1 5 . 1 1 141 141 GLY H H 141 9.411 9.411 7.855 1.556 19731 5105 1 5 . 1 1 142 142 HIS N N 142 113.452 113.452 115.717 -2.265 19731 5106 1 5 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.924 -0.559 19731 5107 1 5 . 1 1 142 142 HIS C C 142 175.640 175.640 172.955 2.685 19731 5108 1 5 . 1 1 142 142 HIS CA C 142 53.087 53.087 52.837 0.250 19731 5109 1 5 . 1 1 142 142 HIS CB C 142 34.613 34.613 31.564 3.049 19731 5110 1 5 . 1 1 142 142 HIS H H 142 7.578 7.578 8.282 -0.704 19731 5111 1 5 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.403 0.220 19731 5112 1 5 . 1 1 143 143 PRO C C 143 176.842 176.842 175.801 1.041 19731 5113 1 5 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.304 -0.382 19731 5114 1 5 . 1 1 143 143 PRO CB C 143 32.828 32.828 32.054 0.774 19731 5115 1 5 . 1 1 144 144 GLY N N 144 106.468 106.468 111.040 -4.572 19731 5116 1 5 . 1 1 144 144 GLY C C 144 173.411 173.411 173.386 0.025 19731 5117 1 5 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.195 0.026 19731 5118 1 5 . 1 1 144 144 GLY H H 144 8.133 8.133 8.328 -0.195 19731 5119 1 5 . 1 1 145 145 HIS N N 145 117.271 117.271 121.876 -4.605 19731 5120 1 5 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.817 -0.283 19731 5121 1 5 . 1 1 145 145 HIS C C 145 176.636 176.636 175.664 0.972 19731 5122 1 5 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.707 1.372 19731 5123 1 5 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.034 3.110 19731 5124 1 5 . 1 1 145 145 HIS H H 145 7.067 7.067 8.395 -1.328 19731 5125 1 5 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.076 0.166 19731 5126 1 5 . 1 1 146 146 LYS C C 146 178.429 178.429 178.090 0.339 19731 5127 1 5 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.639 -0.092 19731 5128 1 5 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.464 -0.198 19731 5129 1 5 . 1 1 147 147 ASP N N 147 122.171 122.171 117.897 4.274 19731 5130 1 5 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.575 0.062 19731 5131 1 5 . 1 1 147 147 ASP C C 147 177.442 177.442 177.220 0.222 19731 5132 1 5 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.408 -0.268 19731 5133 1 5 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.698 -0.605 19731 5134 1 5 . 1 1 147 147 ASP H H 147 10.805 10.805 8.717 2.088 19731 5135 1 5 . 1 1 148 148 LYS N N 148 116.546 116.546 119.263 -2.717 19731 5136 1 5 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.346 0.168 19731 5137 1 5 . 1 1 148 148 LYS C C 148 177.163 177.163 177.207 -0.044 19731 5138 1 5 . 1 1 148 148 LYS CA C 148 55.827 55.827 55.486 0.341 19731 5139 1 5 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.383 3.230 19731 5140 1 5 . 1 1 148 148 LYS H H 148 7.775 7.775 8.160 -0.385 19731 5141 1 5 . 1 1 149 149 VAL N N 149 121.046 121.046 121.655 -0.609 19731 5142 1 5 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.253 -0.008 19731 5143 1 5 . 1 1 149 149 VAL C C 149 176.241 176.241 176.320 -0.079 19731 5144 1 5 . 1 1 149 149 VAL CA C 149 68.195 68.195 64.500 3.695 19731 5145 1 5 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.388 0.721 19731 5146 1 5 . 1 1 149 149 VAL H H 149 7.366 7.366 7.398 -0.032 19731 5147 1 5 . 1 1 150 150 ALA N N 150 121.889 121.889 121.689 0.200 19731 5148 1 5 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.915 0.134 19731 5149 1 5 . 1 1 150 150 ALA C C 150 180.016 180.016 178.767 1.249 19731 5150 1 5 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.821 1.006 19731 5151 1 5 . 1 1 150 150 ALA CB C 150 17.627 17.627 18.148 -0.520 19731 5152 1 5 . 1 1 150 150 ALA H H 150 8.675 8.675 7.844 0.831 19731 5153 1 5 . 1 1 151 151 GLY N N 151 102.202 102.202 105.284 -3.082 19731 5154 1 5 . 1 1 151 151 GLY C C 151 175.919 175.919 175.520 0.399 19731 5155 1 5 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.931 -0.967 19731 5156 1 5 . 1 1 151 151 GLY H H 151 8.366 8.366 7.705 0.661 19731 5157 1 5 . 1 1 152 152 TYR N N 152 123.296 123.296 120.038 3.258 19731 5158 1 5 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.470 -0.239 19731 5159 1 5 . 1 1 152 152 TYR C C 152 179.694 179.694 178.717 0.977 19731 5160 1 5 . 1 1 152 152 TYR CA C 152 61.385 61.385 57.950 3.435 19731 5161 1 5 . 1 1 152 152 TYR CB C 152 40.484 40.484 38.223 2.261 19731 5162 1 5 . 1 1 152 152 TYR H H 152 7.942 7.942 7.155 0.787 19731 5163 1 5 . 1 1 153 153 VAL N N 153 112.890 112.890 116.793 -3.903 19731 5164 1 5 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.999 0.029 19731 5165 1 5 . 1 1 153 153 VAL C C 153 175.620 175.620 176.524 -0.904 19731 5166 1 5 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.290 -0.148 19731 5167 1 5 . 1 1 153 153 VAL CB C 153 31.091 31.091 31.732 -0.641 19731 5168 1 5 . 1 1 153 153 VAL H H 153 8.618 8.618 7.877 0.741 19731 5169 1 5 . 1 1 154 154 LEU N N 154 117.108 117.108 112.258 4.850 19731 5170 1 5 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.803 -0.086 19731 5171 1 5 . 1 1 154 154 LEU C C 154 175.297 175.297 176.197 -0.900 19731 5172 1 5 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.308 0.640 19731 5173 1 5 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.036 -0.395 19731 5174 1 5 . 1 1 154 154 LEU H H 154 6.897 6.897 7.873 -0.976 19731 5175 1 5 . 1 1 155 155 GLY N N 155 107.827 107.827 108.374 -0.547 19731 5176 1 5 . 1 1 155 155 GLY C C 155 171.844 171.844 173.444 -1.600 19731 5177 1 5 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.784 -0.169 19731 5178 1 5 . 1 1 155 155 GLY H H 155 7.351 7.351 7.436 -0.085 19731 5179 1 5 . 1 1 156 156 LYS N N 156 118.233 118.233 119.939 -1.706 19731 5180 1 5 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.572 0.084 19731 5181 1 5 . 1 1 156 156 LYS C C 156 176.541 176.541 176.906 -0.365 19731 5182 1 5 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.796 -0.909 19731 5183 1 5 . 1 1 156 156 LYS CB C 156 33.518 33.518 33.449 0.069 19731 5184 1 5 . 1 1 156 156 LYS H H 156 8.154 8.154 8.348 -0.194 19731 5185 1 5 . 1 1 157 157 ALA N N 157 130.608 130.608 126.705 3.903 19731 5186 1 5 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.638 -0.244 19731 5187 1 5 . 1 1 157 157 ALA C C 157 175.876 175.876 175.283 0.593 19731 5188 1 5 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.505 1.390 19731 5189 1 5 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.705 -0.921 19731 5190 1 5 . 1 1 157 157 ALA H H 157 9.777 9.777 8.162 1.615 19731 5191 1 5 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.518 -0.002 19731 5192 1 5 . 1 1 158 158 PRO C C 158 176.532 176.532 177.088 -0.556 19731 5193 1 5 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.139 0.028 19731 5194 1 5 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.320 0.023 19731 5195 1 5 . 1 1 159 159 ALA N N 159 123.733 123.733 124.825 -1.092 19731 5196 1 5 . 1 1 159 159 ALA HA H 159 4.044 4.044 3.980 0.064 19731 5197 1 5 . 1 1 159 159 ALA C C 159 179.706 179.706 179.652 0.054 19731 5198 1 5 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.361 1.405 19731 5199 1 5 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.536 0.343 19731 5200 1 5 . 1 1 159 159 ALA H H 159 8.575 8.575 8.616 -0.041 19731 5201 1 5 . 1 1 160 160 LYS N N 160 116.796 116.796 116.905 -0.109 19731 5202 1 5 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.024 0.133 19731 5203 1 5 . 1 1 160 160 LYS C C 160 179.115 179.115 178.137 0.978 19731 5204 1 5 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.981 -0.023 19731 5205 1 5 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.945 -0.384 19731 5206 1 5 . 1 1 160 160 LYS H H 160 8.883 8.883 8.290 0.593 19731 5207 1 5 . 1 1 161 161 GLU N N 161 118.514 118.514 117.697 0.817 19731 5208 1 5 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.124 -0.010 19731 5209 1 5 . 1 1 161 161 GLU C C 161 178.707 178.707 178.866 -0.159 19731 5210 1 5 . 1 1 161 161 GLU CA C 161 59.349 59.349 57.949 1.400 19731 5211 1 5 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.713 1.534 19731 5212 1 5 . 1 1 161 161 GLU H H 161 6.988 6.988 7.710 -0.722 19731 5213 1 5 . 1 1 162 162 GLN N N 162 120.202 120.202 118.863 1.339 19731 5214 1 5 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.001 -0.301 19731 5215 1 5 . 1 1 162 162 GLN C C 162 177.184 177.184 178.294 -1.110 19731 5216 1 5 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.455 -0.436 19731 5217 1 5 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.132 0.141 19731 5218 1 5 . 1 1 162 162 GLN H H 162 8.988 8.988 8.371 0.617 19731 5219 1 5 . 1 1 163 163 GLU N N 163 117.952 117.952 119.657 -1.705 19731 5220 1 5 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.179 -0.039 19731 5221 1 5 . 1 1 163 163 GLU C C 163 180.273 180.273 178.719 1.554 19731 5222 1 5 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.003 0.894 19731 5223 1 5 . 1 1 163 163 GLU CB C 163 29.760 29.760 28.552 1.208 19731 5224 1 5 . 1 1 163 163 GLU H H 163 8.063 8.063 8.093 -0.030 19731 5225 1 5 . 1 1 164 164 CYS N N 164 118.796 118.796 117.488 1.308 19731 5226 1 5 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.378 -0.238 19731 5227 1 5 . 1 1 164 164 CYS C C 164 176.562 176.562 176.340 0.222 19731 5228 1 5 . 1 1 164 164 CYS CA C 164 63.420 63.420 61.444 1.976 19731 5229 1 5 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.714 -0.398 19731 5230 1 5 . 1 1 164 164 CYS H H 164 7.306 7.306 8.140 -0.834 19731 5231 1 5 . 1 1 165 165 LEU N N 165 121.327 121.327 122.660 -1.333 19731 5232 1 5 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.091 0.206 19731 5233 1 5 . 1 1 165 165 LEU C C 165 179.029 179.029 178.085 0.944 19731 5234 1 5 . 1 1 165 165 LEU CA C 165 58.410 58.410 57.950 0.460 19731 5235 1 5 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.833 0.452 19731 5236 1 5 . 1 1 165 165 LEU H H 165 8.357 8.357 7.506 0.851 19731 5237 1 5 . 1 1 166 166 ASP N N 166 119.358 119.358 118.202 1.156 19731 5238 1 5 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.464 -0.233 19731 5239 1 5 . 1 1 166 166 ASP C C 166 179.029 179.029 177.955 1.074 19731 5240 1 5 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.371 0.021 19731 5241 1 5 . 1 1 166 166 ASP CB C 166 39.701 39.701 41.044 -1.343 19731 5242 1 5 . 1 1 166 166 ASP H H 166 9.169 9.169 8.260 0.909 19731 5243 1 5 . 1 1 167 167 ALA N N 167 122.171 122.171 121.016 1.155 19731 5244 1 5 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.300 0.022 19731 5245 1 5 . 1 1 167 167 ALA C C 167 180.616 180.616 179.050 1.566 19731 5246 1 5 . 1 1 167 167 ALA CA C 167 54.966 54.966 54.807 0.159 19731 5247 1 5 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.508 -0.020 19731 5248 1 5 . 1 1 167 167 ALA H H 167 7.745 7.745 7.472 0.273 19731 5249 1 5 . 1 1 168 168 ALA N N 168 122.452 122.452 118.894 3.558 19731 5250 1 5 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.202 -0.138 19731 5251 1 5 . 1 1 168 168 ALA C C 168 180.917 180.917 178.684 2.233 19731 5252 1 5 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.368 1.067 19731 5253 1 5 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.618 -0.913 19731 5254 1 5 . 1 1 168 168 ALA H H 168 8.164 8.164 7.642 0.522 19731 5255 1 5 . 1 1 169 169 VAL N N 169 124.702 124.702 116.598 8.104 19731 5256 1 5 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.758 -0.316 19731 5257 1 5 . 1 1 169 169 VAL C C 169 177.442 177.442 177.108 0.334 19731 5258 1 5 . 1 1 169 169 VAL CA C 169 67.725 67.725 65.730 1.995 19731 5259 1 5 . 1 1 169 169 VAL CB C 169 31.639 31.639 32.085 -0.446 19731 5260 1 5 . 1 1 169 169 VAL H H 169 9.052 9.052 7.334 1.718 19731 5261 1 5 . 1 1 170 170 ASP N N 170 119.358 119.358 120.547 -1.189 19731 5262 1 5 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.249 -0.014 19731 5263 1 5 . 1 1 170 170 ASP C C 170 178.750 178.750 177.892 0.858 19731 5264 1 5 . 1 1 170 170 ASP CA C 170 57.862 57.862 58.120 -0.258 19731 5265 1 5 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.956 -0.237 19731 5266 1 5 . 1 1 170 170 ASP H H 170 8.139 8.139 7.608 0.531 19731 5267 1 5 . 1 1 171 171 GLU N N 171 119.639 119.639 117.926 1.713 19731 5268 1 5 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.886 0.256 19731 5269 1 5 . 1 1 171 171 GLU C C 171 179.050 179.050 178.884 0.166 19731 5270 1 5 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.911 -0.737 19731 5271 1 5 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.409 -0.293 19731 5272 1 5 . 1 1 171 171 GLU H H 171 7.821 7.821 7.678 0.143 19731 5273 1 5 . 1 1 172 172 SER N N 172 119.251 119.251 116.299 2.952 19731 5274 1 5 . 1 1 172 172 SER HA H 172 3.818 3.818 4.175 -0.357 19731 5275 1 5 . 1 1 172 172 SER C C 172 175.919 175.919 176.804 -0.885 19731 5276 1 5 . 1 1 172 172 SER CA C 172 64.594 64.594 62.282 2.312 19731 5277 1 5 . 1 1 172 172 SER CB C 172 62.794 62.794 63.015 -0.221 19731 5278 1 5 . 1 1 172 172 SER H H 172 8.457 8.457 7.994 0.463 19731 5279 1 5 . 1 1 173 173 VAL N N 173 121.889 121.889 117.906 3.983 19731 5280 1 5 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.896 -0.434 19731 5281 1 5 . 1 1 173 173 VAL C C 173 178.407 178.407 176.687 1.720 19731 5282 1 5 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.109 2.694 19731 5283 1 5 . 1 1 173 173 VAL CB C 173 31.404 31.404 30.945 0.459 19731 5284 1 5 . 1 1 173 173 VAL H H 173 8.316 8.316 8.010 0.306 19731 5285 1 5 . 1 1 174 174 ARG N N 174 118.796 118.796 118.790 0.006 19731 5286 1 5 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.277 -0.145 19731 5287 1 5 . 1 1 174 174 ARG C C 174 180.938 180.938 178.270 2.668 19731 5288 1 5 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.681 0.825 19731 5289 1 5 . 1 1 174 174 ARG CB C 174 30.073 30.073 30.248 -0.175 19731 5290 1 5 . 1 1 174 174 ARG H H 174 7.669 7.669 7.629 0.040 19731 5291 1 5 . 1 1 175 175 CYS N N 175 117.070 117.070 117.806 -0.736 19731 5292 1 5 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.265 0.062 19731 5293 1 5 . 1 1 175 175 CYS C C 175 176.541 176.541 176.184 0.357 19731 5294 1 5 . 1 1 175 175 CYS CA C 175 64.437 64.437 60.568 3.869 19731 5295 1 5 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.957 0.297 19731 5296 1 5 . 1 1 175 175 CYS H H 175 8.649 8.649 8.446 0.203 19731 5297 1 5 . 1 1 176 176 LEU N N 176 125.264 125.264 120.811 4.453 19731 5298 1 5 . 1 1 176 176 LEU HA H 176 4.080 4.080 4.019 0.061 19731 5299 1 5 . 1 1 176 176 LEU C C 176 178.450 178.450 179.117 -0.667 19731 5300 1 5 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.525 0.337 19731 5301 1 5 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.253 0.640 19731 5302 1 5 . 1 1 176 176 LEU H H 176 8.699 8.699 7.499 1.200 19731 5303 1 5 . 1 1 177 177 GLU N N 177 118.260 118.260 119.174 -0.914 19731 5304 1 5 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.061 -0.300 19731 5305 1 5 . 1 1 177 177 GLU C C 177 179.029 179.029 178.731 0.298 19731 5306 1 5 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.070 1.453 19731 5307 1 5 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.695 -0.483 19731 5308 1 5 . 1 1 177 177 GLU H H 177 7.533 7.533 7.498 0.035 19731 5309 1 5 . 1 1 178 178 ILE N N 178 118.788 118.788 120.004 -1.216 19731 5310 1 5 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.791 -0.114 19731 5311 1 5 . 1 1 178 178 ILE C C 178 177.785 177.785 178.226 -0.441 19731 5312 1 5 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.008 2.134 19731 5313 1 5 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.813 1.714 19731 5314 1 5 . 1 1 178 178 ILE H H 178 7.384 7.384 7.358 0.026 19731 5315 1 5 . 1 1 179 179 LEU N N 179 123.577 123.577 120.829 2.748 19731 5316 1 5 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.053 -0.353 19731 5317 1 5 . 1 1 179 179 LEU C C 179 178.129 178.129 179.214 -1.085 19731 5318 1 5 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.219 0.426 19731 5319 1 5 . 1 1 179 179 LEU CB C 179 41.893 41.893 41.997 -0.104 19731 5320 1 5 . 1 1 179 179 LEU H H 179 8.503 8.503 8.464 0.039 19731 5321 1 5 . 1 1 180 180 MET N N 180 113.171 113.171 113.248 -0.077 19731 5322 1 5 . 1 1 180 180 MET HA H 180 4.186 4.186 4.311 -0.125 19731 5323 1 5 . 1 1 180 180 MET C C 180 176.498 176.498 177.216 -0.718 19731 5324 1 5 . 1 1 180 180 MET CA C 180 55.905 55.905 58.191 -2.285 19731 5325 1 5 . 1 1 180 180 MET CB C 180 31.013 31.013 33.038 -2.025 19731 5326 1 5 . 1 1 180 180 MET H H 180 7.139 7.139 7.461 -0.322 19731 5327 1 5 . 1 1 181 181 LYS N N 181 117.952 117.952 114.176 3.776 19731 5328 1 5 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.325 -0.052 19731 5329 1 5 . 1 1 181 181 LYS C C 181 176.542 176.542 177.650 -1.108 19731 5330 1 5 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.470 1.253 19731 5331 1 5 . 1 1 181 181 LYS CB C 181 34.927 34.927 32.689 2.238 19731 5332 1 5 . 1 1 181 181 LYS H H 181 7.665 7.665 7.394 0.271 19731 5333 1 5 . 1 1 182 182 ASP N N 182 116.827 116.827 118.841 -2.014 19731 5334 1 5 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.735 0.185 19731 5335 1 5 . 1 1 182 182 ASP C C 182 177.485 177.485 175.641 1.844 19731 5336 1 5 . 1 1 182 182 ASP CA C 182 54.887 54.887 55.008 -0.121 19731 5337 1 5 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.550 1.240 19731 5338 1 5 . 1 1 182 182 ASP H H 182 9.191 9.191 8.314 0.877 19731 5339 1 5 . 1 1 183 183 GLY N N 183 110.358 110.358 106.314 4.044 19731 5340 1 5 . 1 1 183 183 GLY C C 183 173.410 173.410 174.662 -1.252 19731 5341 1 5 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.174 0.467 19731 5342 1 5 . 1 1 183 183 GLY H H 183 7.745 7.745 7.389 0.356 19731 5343 1 5 . 1 1 184 184 LEU N N 184 118.796 118.796 123.050 -4.254 19731 5344 1 5 . 1 1 184 184 LEU HA H 184 3.700 3.700 3.813 -0.113 19731 5345 1 5 . 1 1 184 184 LEU C C 184 177.506 177.506 178.689 -1.183 19731 5346 1 5 . 1 1 184 184 LEU CA C 184 58.410 58.410 58.203 0.207 19731 5347 1 5 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.908 0.298 19731 5348 1 5 . 1 1 184 184 LEU H H 184 8.381 8.381 8.490 -0.109 19731 5349 1 5 . 1 1 185 185 THR N N 185 115.421 115.421 113.233 2.188 19731 5350 1 5 . 1 1 185 185 THR HA H 185 3.819 3.819 3.947 -0.128 19731 5351 1 5 . 1 1 185 185 THR C C 185 176.520 176.520 176.476 0.044 19731 5352 1 5 . 1 1 185 185 THR CA C 185 67.021 67.021 66.209 0.812 19731 5353 1 5 . 1 1 185 185 THR CB C 185 68.351 68.351 68.565 -0.214 19731 5354 1 5 . 1 1 185 185 THR H H 185 8.336 8.336 8.288 0.048 19731 5355 1 5 . 1 1 186 186 LYS N N 186 120.202 120.202 122.661 -2.459 19731 5356 1 5 . 1 1 186 186 LYS HA H 186 3.958 3.958 3.987 -0.029 19731 5357 1 5 . 1 1 186 186 LYS C C 186 179.329 179.329 178.096 1.233 19731 5358 1 5 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.836 0.711 19731 5359 1 5 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.862 0.481 19731 5360 1 5 . 1 1 186 186 LYS H H 186 8.237 8.237 7.897 0.340 19731 5361 1 5 . 1 1 187 187 ALA N N 187 121.889 121.889 120.568 1.321 19731 5362 1 5 . 1 1 187 187 ALA HA H 187 3.913 3.913 3.971 -0.058 19731 5363 1 5 . 1 1 187 187 ALA C C 187 178.772 178.772 179.558 -0.786 19731 5364 1 5 . 1 1 187 187 ALA CA C 187 55.905 55.905 54.938 0.967 19731 5365 1 5 . 1 1 187 187 ALA CB C 187 19.584 19.584 17.985 1.599 19731 5366 1 5 . 1 1 187 187 ALA H H 187 7.566 7.566 7.442 0.124 19731 5367 1 5 . 1 1 188 188 GLN N N 188 117.952 117.952 118.996 -1.044 19731 5368 1 5 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.844 -0.035 19731 5369 1 5 . 1 1 188 188 GLN C C 188 176.863 176.863 178.130 -1.267 19731 5370 1 5 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.629 0.407 19731 5371 1 5 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.362 0.694 19731 5372 1 5 . 1 1 188 188 GLN H H 188 9.125 9.125 8.117 1.008 19731 5373 1 5 . 1 1 189 189 ASN N N 189 117.100 117.100 116.839 0.261 19731 5374 1 5 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.347 0.079 19731 5375 1 5 . 1 1 189 189 ASN C C 189 177.463 177.463 177.473 -0.010 19731 5376 1 5 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.189 -0.519 19731 5377 1 5 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.593 -0.614 19731 5378 1 5 . 1 1 189 189 ASN H H 189 8.275 8.275 8.328 -0.053 19731 5379 1 5 . 1 1 190 190 ARG N N 190 117.389 117.389 119.244 -1.855 19731 5380 1 5 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.119 0.376 19731 5381 1 5 . 1 1 190 190 ARG C C 190 178.428 178.428 179.155 -0.727 19731 5382 1 5 . 1 1 190 190 ARG CA C 190 59.036 59.036 58.693 0.343 19731 5383 1 5 . 1 1 190 190 ARG CB C 190 29.760 29.760 30.263 -0.503 19731 5384 1 5 . 1 1 190 190 ARG H H 190 7.230 7.230 7.383 -0.153 19731 5385 1 5 . 1 1 191 191 LEU N N 191 122.155 122.155 122.693 -0.538 19731 5386 1 5 . 1 1 191 191 LEU HA H 191 4.140 4.140 3.972 0.168 19731 5387 1 5 . 1 1 191 191 LEU C C 191 179.373 179.373 178.152 1.221 19731 5388 1 5 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.046 0.599 19731 5389 1 5 . 1 1 191 191 LEU CB C 191 41.502 41.502 42.007 -0.505 19731 5390 1 5 . 1 1 191 191 LEU H H 191 8.624 8.624 8.593 0.031 19731 5391 1 5 . 1 1 192 192 HIS N N 192 113.452 113.452 112.605 0.847 19731 5392 1 5 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.747 0.344 19731 5393 1 5 . 1 1 192 192 HIS C C 192 177.163 177.163 176.113 1.050 19731 5394 1 5 . 1 1 192 192 HIS CA C 192 57.001 57.001 56.455 0.546 19731 5395 1 5 . 1 1 192 192 HIS CB C 192 28.351 28.351 28.221 0.130 19731 5396 1 5 . 1 1 192 192 HIS H H 192 9.017 9.017 7.666 1.351 19731 5397 1 5 . 1 1 193 193 THR N N 193 110.077 110.077 115.692 -5.615 19731 5398 1 5 . 1 1 193 193 THR HA H 193 4.499 4.499 4.297 0.202 19731 5399 1 5 . 1 1 193 193 THR C C 193 174.053 174.053 173.887 0.166 19731 5400 1 5 . 1 1 193 193 THR CA C 193 62.011 62.011 63.907 -1.896 19731 5401 1 5 . 1 1 193 193 THR CB C 193 69.995 69.995 69.619 0.376 19731 5402 1 5 . 1 1 193 193 THR H H 193 7.632 7.632 7.456 0.176 19731 5403 1 5 . 1 1 194 194 PHE N N 194 124.702 124.702 124.592 0.110 19731 5404 1 5 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.492 -0.043 19731 5405 1 5 . 1 1 194 194 PHE C C 194 175.640 175.640 173.396 2.244 19731 5406 1 5 . 1 1 194 194 PHE CA C 194 59.271 59.271 58.497 0.774 19731 5407 1 5 . 1 1 194 194 PHE CB C 194 39.858 39.858 39.195 0.663 19731 5408 1 5 . 1 1 194 194 PHE H H 194 7.722 7.722 7.835 -0.113 19731 5409 1 5 . 1 1 195 195 LYS N N 195 128.639 128.639 124.753 3.886 19731 5410 1 5 . 1 1 195 195 LYS HA H 195 4.195 4.195 5.577 -1.382 19731 5411 1 5 . 1 1 195 195 LYS C C 195 174.032 174.032 174.943 -0.911 19731 5412 1 5 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.174 3.279 19731 5413 1 5 . 1 1 195 195 LYS CB C 195 34.927 34.927 36.137 -1.210 19731 5414 1 5 . 1 1 195 195 LYS H H 195 7.615 7.615 7.560 0.055 19731 5415 1 5 . 1 1 196 196 ALA N N 196 129.483 129.483 125.818 3.665 19731 5416 1 5 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.342 -0.063 19731 5417 1 5 . 1 1 196 196 ALA C C 196 175.619 175.619 176.426 -0.807 19731 5418 1 5 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.068 0.080 19731 5419 1 5 . 1 1 196 196 ALA CB C 196 20.602 20.602 18.266 2.336 19731 5420 1 5 . 1 1 196 196 ALA H H 196 8.324 8.324 8.416 -0.092 19731 5421 1 6 . 1 1 2 2 VAL N N 2 122.420 122.420 120.334 2.086 19731 5422 1 6 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.366 -0.199 19731 5423 1 6 . 1 1 2 2 VAL C C 2 175.919 175.919 175.603 0.316 19731 5424 1 6 . 1 1 2 2 VAL CA C 2 62.167 62.167 62.414 -0.247 19731 5425 1 6 . 1 1 2 2 VAL CB C 2 33.109 33.109 32.630 0.479 19731 5426 1 6 . 1 1 2 2 VAL H H 2 8.260 8.260 8.160 0.100 19731 5427 1 6 . 1 1 3 3 SER N N 3 119.915 119.915 123.384 -3.469 19731 5428 1 6 . 1 1 3 3 SER HA H 3 4.134 4.134 4.370 -0.236 19731 5429 1 6 . 1 1 3 3 SER C C 3 173.731 173.731 174.031 -0.300 19731 5430 1 6 . 1 1 3 3 SER CA C 3 58.253 58.253 59.511 -1.258 19731 5431 1 6 . 1 1 3 3 SER CB C 3 63.811 63.811 63.709 0.102 19731 5432 1 6 . 1 1 3 3 SER H H 3 8.381 8.381 8.945 -0.564 19731 5433 1 6 . 1 1 4 4 GLN N N 4 123.810 123.810 120.281 3.529 19731 5434 1 6 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.706 -0.237 19731 5435 1 6 . 1 1 4 4 GLN C C 4 174.067 174.067 173.362 0.705 19731 5436 1 6 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.367 0.111 19731 5437 1 6 . 1 1 4 4 GLN CB C 4 29.394 29.394 30.871 -1.477 19731 5438 1 6 . 1 1 4 4 GLN H H 4 8.412 8.412 8.085 0.327 19731 5439 1 6 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.541 -0.195 19731 5440 1 6 . 1 1 5 5 PRO C C 5 176.242 176.242 175.933 0.309 19731 5441 1 6 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.523 1.805 19731 5442 1 6 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.202 0.345 19731 5443 1 6 . 1 1 6 6 ILE N N 6 114.232 114.232 124.213 -9.981 19731 5444 1 6 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.973 0.198 19731 5445 1 6 . 1 1 6 6 ILE C C 6 175.577 175.577 177.156 -1.579 19731 5446 1 6 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.848 -3.812 19731 5447 1 6 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.293 0.391 19731 5448 1 6 . 1 1 6 6 ILE H H 6 7.745 7.745 8.473 -0.728 19731 5449 1 6 . 1 1 7 7 LYS N N 7 121.791 121.791 124.835 -3.044 19731 5450 1 6 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.193 0.295 19731 5451 1 6 . 1 1 7 7 LYS C C 7 175.898 175.898 176.649 -0.751 19731 5452 1 6 . 1 1 7 7 LYS CA C 7 56.766 56.766 59.194 -2.428 19731 5453 1 6 . 1 1 7 7 LYS CB C 7 37.281 37.281 33.749 3.532 19731 5454 1 6 . 1 1 7 7 LYS H H 7 9.462 9.462 8.342 1.120 19731 5455 1 6 . 1 1 8 8 LEU N N 8 122.642 122.642 111.011 11.631 19731 5456 1 6 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.440 -0.253 19731 5457 1 6 . 1 1 8 8 LEU C C 8 171.543 171.543 174.684 -3.141 19731 5458 1 6 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.130 0.089 19731 5459 1 6 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.891 -0.016 19731 5460 1 6 . 1 1 8 8 LEU H H 8 7.532 7.532 7.583 -0.051 19731 5461 1 6 . 1 1 9 9 LEU N N 9 128.904 128.904 116.854 12.050 19731 5462 1 6 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.227 0.324 19731 5463 1 6 . 1 1 9 9 LEU C C 9 173.410 173.410 175.281 -1.871 19731 5464 1 6 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.484 0.579 19731 5465 1 6 . 1 1 9 9 LEU CB C 9 45.563 45.563 43.981 1.582 19731 5466 1 6 . 1 1 9 9 LEU H H 9 8.900 8.900 7.985 0.915 19731 5467 1 6 . 1 1 10 10 VAL N N 10 126.431 126.431 121.153 5.278 19731 5468 1 6 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.217 0.127 19731 5469 1 6 . 1 1 10 10 VAL C C 10 174.353 174.353 175.977 -1.624 19731 5470 1 6 . 1 1 10 10 VAL CA C 10 58.880 58.880 60.556 -1.675 19731 5471 1 6 . 1 1 10 10 VAL CB C 10 35.250 35.250 32.843 2.407 19731 5472 1 6 . 1 1 10 10 VAL H H 10 9.246 9.246 9.229 0.017 19731 5473 1 6 . 1 1 11 11 GLY N N 11 115.421 115.421 114.877 0.544 19731 5474 1 6 . 1 1 11 11 GLY C C 11 170.943 170.943 172.608 -1.665 19731 5475 1 6 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.494 1.678 19731 5476 1 6 . 1 1 11 11 GLY H H 11 8.738 8.738 9.087 -0.349 19731 5477 1 6 . 1 1 12 12 LEU N N 12 119.415 119.415 123.559 -4.144 19731 5478 1 6 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.667 -0.451 19731 5479 1 6 . 1 1 12 12 LEU C C 12 176.498 176.498 175.723 0.775 19731 5480 1 6 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.143 1.606 19731 5481 1 6 . 1 1 12 12 LEU CB C 12 40.328 40.328 43.473 -3.145 19731 5482 1 6 . 1 1 12 12 LEU H H 12 7.423 7.423 8.415 -0.992 19731 5483 1 6 . 1 1 13 13 ALA N N 13 121.608 121.608 121.952 -0.344 19731 5484 1 6 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.700 -0.332 19731 5485 1 6 . 1 1 13 13 ALA C C 13 177.463 177.463 175.593 1.870 19731 5486 1 6 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.615 2.159 19731 5487 1 6 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.916 3.725 19731 5488 1 6 . 1 1 13 13 ALA H H 13 8.627 8.627 8.082 0.545 19731 5489 1 6 . 1 1 14 14 ASN N N 14 116.827 116.827 117.575 -0.748 19731 5490 1 6 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.967 -0.563 19731 5491 1 6 . 1 1 14 14 ASN C C 14 173.431 173.431 173.849 -0.418 19731 5492 1 6 . 1 1 14 14 ASN CA C 14 51.052 51.052 50.775 0.277 19731 5493 1 6 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.642 1.843 19731 5494 1 6 . 1 1 14 14 ASN H H 14 8.896 8.896 8.418 0.478 19731 5495 1 6 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.257 0.100 19731 5496 1 6 . 1 1 17 17 PRO C C 17 179.073 179.073 177.243 1.830 19731 5497 1 6 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.326 0.846 19731 5498 1 6 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.108 -0.234 19731 5499 1 6 . 1 1 18 18 GLU N N 18 118.514 118.514 116.750 1.764 19731 5500 1 6 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.011 0.043 19731 5501 1 6 . 1 1 18 18 GLU C C 18 177.807 177.807 177.852 -0.045 19731 5502 1 6 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.367 0.434 19731 5503 1 6 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.922 -0.493 19731 5504 1 6 . 1 1 18 18 GLU H H 18 9.729 9.729 8.542 1.187 19731 5505 1 6 . 1 1 19 19 TYR N N 19 115.421 115.421 116.323 -0.902 19731 5506 1 6 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.721 -1.294 19731 5507 1 6 . 1 1 19 19 TYR C C 19 177.549 177.549 176.881 0.668 19731 5508 1 6 . 1 1 19 19 TYR CA C 19 58.332 58.332 57.193 1.139 19731 5509 1 6 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.308 1.393 19731 5510 1 6 . 1 1 19 19 TYR H H 19 7.268 7.268 7.359 -0.091 19731 5511 1 6 . 1 1 20 20 ALA N N 20 123.858 123.858 122.096 1.762 19731 5512 1 6 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.438 -0.009 19731 5513 1 6 . 1 1 20 20 ALA C C 20 178.365 178.365 177.238 1.127 19731 5514 1 6 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.960 2.023 19731 5515 1 6 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.379 1.362 19731 5516 1 6 . 1 1 20 20 ALA H H 20 7.245 7.245 7.373 -0.128 19731 5517 1 6 . 1 1 21 21 LYS N N 21 114.577 114.577 114.358 0.219 19731 5518 1 6 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.257 0.526 19731 5519 1 6 . 1 1 21 21 LYS C C 21 176.541 176.541 176.859 -0.318 19731 5520 1 6 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.294 -1.880 19731 5521 1 6 . 1 1 21 21 LYS CB C 21 32.109 32.109 31.835 0.274 19731 5522 1 6 . 1 1 21 21 LYS H H 21 8.894 8.894 7.873 1.021 19731 5523 1 6 . 1 1 22 22 THR N N 22 111.202 111.202 117.548 -6.346 19731 5524 1 6 . 1 1 22 22 THR HA H 22 4.495 4.495 4.312 0.183 19731 5525 1 6 . 1 1 22 22 THR C C 22 175.277 175.277 174.760 0.517 19731 5526 1 6 . 1 1 22 22 THR CA C 22 61.306 61.306 63.179 -1.873 19731 5527 1 6 . 1 1 22 22 THR CB C 22 72.109 72.109 70.101 2.008 19731 5528 1 6 . 1 1 22 22 THR H H 22 7.927 7.927 7.946 -0.019 19731 5529 1 6 . 1 1 23 23 ARG N N 23 119.639 119.639 125.923 -6.284 19731 5530 1 6 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.090 0.418 19731 5531 1 6 . 1 1 23 23 ARG C C 23 177.142 177.142 177.471 -0.329 19731 5532 1 6 . 1 1 23 23 ARG CA C 23 60.993 60.993 58.375 2.618 19731 5533 1 6 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.410 1.464 19731 5534 1 6 . 1 1 23 23 ARG H H 23 8.245 8.245 8.216 0.029 19731 5535 1 6 . 1 1 24 24 HIS N N 24 115.140 115.140 116.268 -1.128 19731 5536 1 6 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.584 -0.656 19731 5537 1 6 . 1 1 24 24 HIS C C 24 173.109 173.109 175.663 -2.554 19731 5538 1 6 . 1 1 24 24 HIS CA C 24 53.870 53.870 57.843 -3.973 19731 5539 1 6 . 1 1 24 24 HIS CB C 24 29.003 29.003 29.451 -0.448 19731 5540 1 6 . 1 1 24 24 HIS H H 24 8.245 8.245 8.443 -0.198 19731 5541 1 6 . 1 1 25 25 ASN N N 25 115.140 115.140 117.779 -2.639 19731 5542 1 6 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.629 0.132 19731 5543 1 6 . 1 1 25 25 ASN C C 25 175.234 175.234 175.320 -0.086 19731 5544 1 6 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.262 -0.114 19731 5545 1 6 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.074 0.140 19731 5546 1 6 . 1 1 25 25 ASN H H 25 7.661 7.661 8.006 -0.345 19731 5547 1 6 . 1 1 26 26 ALA N N 26 120.764 120.764 123.187 -2.423 19731 5548 1 6 . 1 1 26 26 ALA HA H 26 4.757 4.757 4.071 0.686 19731 5549 1 6 . 1 1 26 26 ALA C C 26 178.428 178.428 178.892 -0.464 19731 5550 1 6 . 1 1 26 26 ALA CA C 26 54.496 54.496 54.823 -0.327 19731 5551 1 6 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.491 -0.081 19731 5552 1 6 . 1 1 26 26 ALA H H 26 7.148 7.148 7.334 -0.186 19731 5553 1 6 . 1 1 27 27 GLY N N 27 100.254 100.254 105.006 -4.752 19731 5554 1 6 . 1 1 27 27 GLY C C 27 176.520 176.520 175.565 0.955 19731 5555 1 6 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.548 0.433 19731 5556 1 6 . 1 1 27 27 GLY H H 27 8.957 8.957 7.949 1.008 19731 5557 1 6 . 1 1 28 28 ALA N N 28 123.296 123.296 123.143 0.153 19731 5558 1 6 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.260 -0.070 19731 5559 1 6 . 1 1 28 28 ALA C C 28 179.373 179.373 178.392 0.981 19731 5560 1 6 . 1 1 28 28 ALA CA C 28 55.592 55.592 54.248 1.344 19731 5561 1 6 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.582 -0.250 19731 5562 1 6 . 1 1 28 28 ALA H H 28 7.090 7.090 7.398 -0.308 19731 5563 1 6 . 1 1 29 29 TRP N N 29 117.952 117.952 120.890 -2.938 19731 5564 1 6 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.356 0.361 19731 5565 1 6 . 1 1 29 29 TRP C C 29 179.973 179.973 177.902 2.071 19731 5566 1 6 . 1 1 29 29 TRP CA C 29 57.862 57.862 59.685 -1.823 19731 5567 1 6 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.252 -1.196 19731 5568 1 6 . 1 1 29 29 TRP H H 29 7.649 7.649 7.522 0.127 19731 5569 1 6 . 1 1 30 30 VAL N N 30 116.082 116.082 114.376 1.706 19731 5570 1 6 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.545 0.011 19731 5571 1 6 . 1 1 30 30 VAL C C 30 176.542 176.542 177.423 -0.881 19731 5572 1 6 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.702 0.458 19731 5573 1 6 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.333 0.697 19731 5574 1 6 . 1 1 30 30 VAL H H 30 7.263 7.263 7.440 -0.177 19731 5575 1 6 . 1 1 31 31 VAL N N 31 118.514 118.514 121.612 -3.098 19731 5576 1 6 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.614 -0.354 19731 5577 1 6 . 1 1 31 31 VAL C C 31 177.142 177.142 178.061 -0.919 19731 5578 1 6 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.409 1.238 19731 5579 1 6 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.530 0.109 19731 5580 1 6 . 1 1 31 31 VAL H H 31 6.912 6.912 7.160 -0.248 19731 5581 1 6 . 1 1 32 32 GLU N N 32 117.882 117.882 118.340 -0.458 19731 5582 1 6 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.943 -0.152 19731 5583 1 6 . 1 1 32 32 GLU C C 32 179.715 179.715 179.048 0.667 19731 5584 1 6 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.123 0.931 19731 5585 1 6 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.059 1.014 19731 5586 1 6 . 1 1 32 32 GLU H H 32 9.069 9.069 8.158 0.911 19731 5587 1 6 . 1 1 33 33 GLU N N 33 120.202 120.202 120.569 -0.367 19731 5588 1 6 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.821 0.683 19731 5589 1 6 . 1 1 33 33 GLU C C 33 177.807 177.807 178.704 -0.897 19731 5590 1 6 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.583 -0.095 19731 5591 1 6 . 1 1 33 33 GLU CB C 33 28.977 28.977 28.898 0.079 19731 5592 1 6 . 1 1 33 33 GLU H H 33 7.967 7.967 7.686 0.281 19731 5593 1 6 . 1 1 34 34 LEU N N 34 121.046 121.046 119.375 1.671 19731 5594 1 6 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.922 0.101 19731 5595 1 6 . 1 1 34 34 LEU C C 34 178.429 178.429 178.789 -0.360 19731 5596 1 6 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.679 0.743 19731 5597 1 6 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.456 0.985 19731 5598 1 6 . 1 1 34 34 LEU H H 34 8.297 8.297 7.409 0.888 19731 5599 1 6 . 1 1 35 35 ALA N N 35 118.233 118.233 120.458 -2.225 19731 5600 1 6 . 1 1 35 35 ALA HA H 35 3.867 3.867 4.010 -0.143 19731 5601 1 6 . 1 1 35 35 ALA C C 35 178.729 178.729 179.142 -0.413 19731 5602 1 6 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.061 0.609 19731 5603 1 6 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.424 -1.267 19731 5604 1 6 . 1 1 35 35 ALA H H 35 8.450 8.450 7.677 0.773 19731 5605 1 6 . 1 1 36 36 ARG N N 36 118.796 118.796 117.044 1.752 19731 5606 1 6 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.193 -0.153 19731 5607 1 6 . 1 1 36 36 ARG C C 36 181.217 181.217 178.128 3.089 19731 5608 1 6 . 1 1 36 36 ARG CA C 36 59.819 59.819 57.571 2.248 19731 5609 1 6 . 1 1 36 36 ARG CB C 36 30.543 30.543 29.978 0.565 19731 5610 1 6 . 1 1 36 36 ARG H H 36 8.063 8.063 7.506 0.557 19731 5611 1 6 . 1 1 37 37 ILE N N 37 119.077 119.077 119.416 -0.339 19731 5612 1 6 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.835 -0.084 19731 5613 1 6 . 1 1 37 37 ILE C C 37 177.443 177.443 177.720 -0.277 19731 5614 1 6 . 1 1 37 37 ILE CA C 37 64.359 64.359 64.080 0.279 19731 5615 1 6 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.668 0.546 19731 5616 1 6 . 1 1 37 37 ILE H H 37 8.420 8.420 7.786 0.634 19731 5617 1 6 . 1 1 38 38 HIS N N 38 116.546 116.546 115.346 1.200 19731 5618 1 6 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.674 -0.275 19731 5619 1 6 . 1 1 38 38 HIS C C 38 173.452 173.452 174.847 -1.395 19731 5620 1 6 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.028 1.208 19731 5621 1 6 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.635 -0.936 19731 5622 1 6 . 1 1 38 38 HIS H H 38 7.635 7.635 7.758 -0.123 19731 5623 1 6 . 1 1 39 39 ASN N N 39 117.108 117.108 118.743 -1.635 19731 5624 1 6 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.497 -0.145 19731 5625 1 6 . 1 1 39 39 ASN C C 39 174.310 174.310 174.077 0.233 19731 5626 1 6 . 1 1 39 39 ASN CA C 39 54.653 54.653 54.130 0.523 19731 5627 1 6 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.077 0.276 19731 5628 1 6 . 1 1 39 39 ASN H H 39 7.942 7.942 7.948 -0.006 19731 5629 1 6 . 1 1 40 40 VAL N N 40 119.921 119.921 115.308 4.613 19731 5630 1 6 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.540 -0.324 19731 5631 1 6 . 1 1 40 40 VAL C C 40 175.361 175.361 176.085 -0.724 19731 5632 1 6 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.463 1.313 19731 5633 1 6 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.102 1.121 19731 5634 1 6 . 1 1 40 40 VAL H H 40 8.578 8.578 7.708 0.870 19731 5635 1 6 . 1 1 41 41 THR N N 41 123.878 123.878 116.732 7.146 19731 5636 1 6 . 1 1 41 41 THR HA H 41 4.231 4.231 4.341 -0.110 19731 5637 1 6 . 1 1 41 41 THR C C 41 174.033 174.033 174.466 -0.433 19731 5638 1 6 . 1 1 41 41 THR CA C 41 61.776 61.776 61.299 0.477 19731 5639 1 6 . 1 1 41 41 THR CB C 41 69.525 69.525 68.222 1.302 19731 5640 1 6 . 1 1 41 41 THR H H 41 8.617 8.617 8.392 0.225 19731 5641 1 6 . 1 1 42 42 LEU N N 42 128.639 128.639 128.095 0.544 19731 5642 1 6 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.516 -0.179 19731 5643 1 6 . 1 1 42 42 LEU C C 42 175.919 175.919 176.683 -0.764 19731 5644 1 6 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.778 0.031 19731 5645 1 6 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.464 1.429 19731 5646 1 6 . 1 1 42 42 LEU H H 42 8.783 8.783 8.514 0.270 19731 5647 1 6 . 1 1 43 43 LYS N N 43 122.452 122.452 124.971 -2.519 19731 5648 1 6 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.737 -0.148 19731 5649 1 6 . 1 1 43 43 LYS C C 43 175.619 175.619 174.997 0.622 19731 5650 1 6 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.154 0.342 19731 5651 1 6 . 1 1 43 43 LYS CB C 43 35.944 35.944 34.948 0.996 19731 5652 1 6 . 1 1 43 43 LYS H H 43 8.738 8.738 8.266 0.472 19731 5653 1 6 . 1 1 44 44 ASN N N 44 123.014 123.014 119.360 3.654 19731 5654 1 6 . 1 1 44 44 ASN HA H 44 4.580 4.580 5.265 -0.685 19731 5655 1 6 . 1 1 44 44 ASN C C 44 174.718 174.718 175.288 -0.570 19731 5656 1 6 . 1 1 44 44 ASN CA C 44 54.484 54.484 52.681 1.803 19731 5657 1 6 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.986 -0.146 19731 5658 1 6 . 1 1 44 44 ASN H H 44 8.906 8.906 8.662 0.244 19731 5659 1 6 . 1 1 45 45 GLU N N 45 128.921 128.921 120.193 8.728 19731 5660 1 6 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.913 -0.539 19731 5661 1 6 . 1 1 45 45 GLU C C 45 173.731 173.731 175.086 -1.355 19731 5662 1 6 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.783 0.461 19731 5663 1 6 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.703 0.936 19731 5664 1 6 . 1 1 45 45 GLU H H 45 8.675 8.675 8.744 -0.069 19731 5665 1 6 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.466 -0.478 19731 5666 1 6 . 1 1 46 46 PRO C C 46 175.298 175.298 176.770 -1.472 19731 5667 1 6 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.817 0.168 19731 5668 1 6 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.662 0.368 19731 5669 1 6 . 1 1 47 47 LYS N N 47 115.793 115.793 116.309 -0.516 19731 5670 1 6 . 1 1 47 47 LYS HA H 47 3.518 3.518 4.108 -0.590 19731 5671 1 6 . 1 1 47 47 LYS C C 47 174.998 174.998 177.532 -2.534 19731 5672 1 6 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.339 -0.477 19731 5673 1 6 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.394 -0.833 19731 5674 1 6 . 1 1 47 47 LYS H H 47 8.239 8.239 8.102 0.137 19731 5675 1 6 . 1 1 48 48 PHE N N 48 114.577 114.577 115.290 -0.713 19731 5676 1 6 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.771 0.119 19731 5677 1 6 . 1 1 48 48 PHE C C 48 172.810 172.810 175.281 -2.471 19731 5678 1 6 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.561 -2.691 19731 5679 1 6 . 1 1 48 48 PHE CB C 48 39.701 39.701 41.085 -1.384 19731 5680 1 6 . 1 1 48 48 PHE H H 48 7.398 7.398 7.359 0.039 19731 5681 1 6 . 1 1 49 49 PHE N N 49 110.358 110.358 120.003 -9.645 19731 5682 1 6 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.239 -0.387 19731 5683 1 6 . 1 1 49 49 PHE C C 49 175.298 175.298 173.629 1.669 19731 5684 1 6 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.897 -0.878 19731 5685 1 6 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.875 -1.444 19731 5686 1 6 . 1 1 49 49 PHE H H 49 6.923 6.923 8.795 -1.872 19731 5687 1 6 . 1 1 50 50 GLY N N 50 136.915 136.915 109.760 27.155 19731 5688 1 6 . 1 1 50 50 GLY C C 50 170.643 170.643 171.372 -0.729 19731 5689 1 6 . 1 1 50 50 GLY CA C 50 47.138 47.138 45.214 1.924 19731 5690 1 6 . 1 1 50 50 GLY H H 50 6.836 6.836 7.506 -0.670 19731 5691 1 6 . 1 1 51 51 LEU N N 51 119.282 119.282 120.593 -1.311 19731 5692 1 6 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.822 0.015 19731 5693 1 6 . 1 1 51 51 LEU C C 51 177.164 177.164 174.989 2.175 19731 5694 1 6 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.105 -1.018 19731 5695 1 6 . 1 1 51 51 LEU CB C 51 44.163 44.163 44.435 -0.272 19731 5696 1 6 . 1 1 51 51 LEU H H 51 8.692 8.692 8.646 0.046 19731 5697 1 6 . 1 1 52 52 THR N N 52 112.608 112.608 121.834 -9.226 19731 5698 1 6 . 1 1 52 52 THR HA H 52 5.529 5.529 5.436 0.093 19731 5699 1 6 . 1 1 52 52 THR C C 52 173.732 173.732 172.929 0.803 19731 5700 1 6 . 1 1 52 52 THR CA C 52 59.036 59.036 60.072 -1.036 19731 5701 1 6 . 1 1 52 52 THR CB C 52 72.578 72.578 71.772 0.806 19731 5702 1 6 . 1 1 52 52 THR H H 52 9.230 9.230 8.920 0.310 19731 5703 1 6 . 1 1 53 53 GLY N N 53 105.858 105.858 109.350 -3.492 19731 5704 1 6 . 1 1 53 53 GLY C C 53 171.545 171.545 171.568 -0.023 19731 5705 1 6 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.982 0.042 19731 5706 1 6 . 1 1 53 53 GLY H H 53 7.881 7.881 8.716 -0.835 19731 5707 1 6 . 1 1 54 54 ARG N N 54 122.128 122.128 122.240 -0.112 19731 5708 1 6 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.787 0.074 19731 5709 1 6 . 1 1 54 54 ARG C C 54 172.767 172.767 174.321 -1.554 19731 5710 1 6 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.653 0.096 19731 5711 1 6 . 1 1 54 54 ARG CB C 54 32.813 32.813 32.117 0.695 19731 5712 1 6 . 1 1 54 54 ARG H H 54 8.627 8.627 8.375 0.252 19731 5713 1 6 . 1 1 55 55 LEU N N 55 125.264 125.264 122.900 2.364 19731 5714 1 6 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.641 -0.057 19731 5715 1 6 . 1 1 55 55 LEU C C 55 174.011 174.011 174.356 -0.345 19731 5716 1 6 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.217 0.888 19731 5717 1 6 . 1 1 55 55 LEU CB C 55 44.242 44.242 44.790 -0.548 19731 5718 1 6 . 1 1 55 55 LEU H H 55 8.968 8.968 9.159 -0.191 19731 5719 1 6 . 1 1 56 56 LEU N N 56 123.577 123.577 127.297 -3.720 19731 5720 1 6 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.652 0.368 19731 5721 1 6 . 1 1 56 56 LEU C C 56 176.263 176.263 176.079 0.184 19731 5722 1 6 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.646 -0.958 19731 5723 1 6 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.441 1.253 19731 5724 1 6 . 1 1 56 56 LEU H H 56 8.405 8.405 8.470 -0.065 19731 5725 1 6 . 1 1 57 57 ILE N N 57 123.748 123.748 120.112 3.636 19731 5726 1 6 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.600 -0.390 19731 5727 1 6 . 1 1 57 57 ILE C C 57 175.655 175.655 175.388 0.267 19731 5728 1 6 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.743 0.389 19731 5729 1 6 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.247 0.237 19731 5730 1 6 . 1 1 57 57 ILE H H 57 8.617 8.617 8.963 -0.346 19731 5731 1 6 . 1 1 58 58 ASN N N 58 127.486 127.486 125.634 1.852 19731 5732 1 6 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.345 -0.023 19731 5733 1 6 . 1 1 58 58 ASN C C 58 174.976 174.976 174.886 0.090 19731 5734 1 6 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.688 -0.922 19731 5735 1 6 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.416 0.329 19731 5736 1 6 . 1 1 58 58 ASN H H 58 9.489 9.489 9.112 0.377 19731 5737 1 6 . 1 1 59 59 SER N N 59 106.702 106.702 116.147 -9.445 19731 5738 1 6 . 1 1 59 59 SER HA H 59 3.833 3.833 4.578 -0.745 19731 5739 1 6 . 1 1 59 59 SER C C 59 172.510 172.510 172.471 0.039 19731 5740 1 6 . 1 1 59 59 SER CA C 59 60.445 60.445 58.283 2.162 19731 5741 1 6 . 1 1 59 59 SER CB C 59 62.246 62.246 65.192 -2.946 19731 5742 1 6 . 1 1 59 59 SER H H 59 8.664 8.664 8.235 0.429 19731 5743 1 6 . 1 1 60 60 GLN N N 60 120.764 120.764 121.291 -0.527 19731 5744 1 6 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.571 -0.081 19731 5745 1 6 . 1 1 60 60 GLN C C 60 174.310 174.310 173.623 0.687 19731 5746 1 6 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.343 -0.160 19731 5747 1 6 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.343 -1.175 19731 5748 1 6 . 1 1 60 60 GLN H H 60 7.925 7.925 7.852 0.073 19731 5749 1 6 . 1 1 61 61 GLU N N 61 122.452 122.452 125.435 -2.983 19731 5750 1 6 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.443 0.183 19731 5751 1 6 . 1 1 61 61 GLU C C 61 174.932 174.932 175.383 -0.451 19731 5752 1 6 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.588 0.239 19731 5753 1 6 . 1 1 61 61 GLU CB C 61 31.639 31.639 28.925 2.714 19731 5754 1 6 . 1 1 61 61 GLU H H 61 8.613 8.613 8.650 -0.037 19731 5755 1 6 . 1 1 62 62 LEU N N 62 129.483 129.483 127.976 1.507 19731 5756 1 6 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.767 -0.284 19731 5757 1 6 . 1 1 62 62 LEU C C 62 175.276 175.276 175.455 -0.179 19731 5758 1 6 . 1 1 62 62 LEU CA C 62 53.713 53.713 54.192 -0.479 19731 5759 1 6 . 1 1 62 62 LEU CB C 62 45.416 45.416 44.001 1.415 19731 5760 1 6 . 1 1 62 62 LEU H H 62 9.131 9.131 8.724 0.407 19731 5761 1 6 . 1 1 63 63 ARG N N 63 125.546 125.546 125.912 -0.366 19731 5762 1 6 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.159 -0.275 19731 5763 1 6 . 1 1 63 63 ARG C C 63 174.998 174.998 174.670 0.328 19731 5764 1 6 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.506 1.477 19731 5765 1 6 . 1 1 63 63 ARG CB C 63 31.013 31.013 33.346 -2.333 19731 5766 1 6 . 1 1 63 63 ARG H H 63 7.802 7.802 9.130 -1.328 19731 5767 1 6 . 1 1 64 64 VAL N N 64 112.608 112.608 119.033 -6.425 19731 5768 1 6 . 1 1 64 64 VAL HA H 64 5.840 5.840 4.964 0.876 19731 5769 1 6 . 1 1 64 64 VAL C C 64 174.353 174.353 173.408 0.945 19731 5770 1 6 . 1 1 64 64 VAL CA C 64 57.784 57.784 60.047 -2.263 19731 5771 1 6 . 1 1 64 64 VAL CB C 64 34.927 34.927 36.262 -1.335 19731 5772 1 6 . 1 1 64 64 VAL H H 64 8.199 8.199 8.620 -0.421 19731 5773 1 6 . 1 1 65 65 LEU N N 65 122.279 122.279 128.745 -6.466 19731 5774 1 6 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.500 0.026 19731 5775 1 6 . 1 1 65 65 LEU C C 65 174.353 174.353 174.066 0.287 19731 5776 1 6 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.773 -0.216 19731 5777 1 6 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.273 1.413 19731 5778 1 6 . 1 1 65 65 LEU H H 65 8.163 8.163 8.844 -0.681 19731 5779 1 6 . 1 1 66 66 ILE N N 66 126.952 126.952 124.710 2.242 19731 5780 1 6 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.196 -0.074 19731 5781 1 6 . 1 1 66 66 ILE C C 66 173.817 173.817 173.075 0.742 19731 5782 1 6 . 1 1 66 66 ILE CA C 66 58.567 58.567 57.130 1.438 19731 5783 1 6 . 1 1 66 66 ILE CB C 66 41.815 41.815 42.622 -0.807 19731 5784 1 6 . 1 1 66 66 ILE H H 66 9.131 9.131 9.279 -0.148 19731 5785 1 6 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.654 -0.146 19731 5786 1 6 . 1 1 67 67 PRO C C 67 177.786 177.786 176.909 0.877 19731 5787 1 6 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.358 0.845 19731 5788 1 6 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.587 0.522 19731 5789 1 6 . 1 1 68 68 THR N N 68 115.421 115.421 113.093 2.328 19731 5790 1 6 . 1 1 68 68 THR HA H 68 4.370 4.370 4.106 0.264 19731 5791 1 6 . 1 1 68 68 THR C C 68 174.054 174.054 174.855 -0.801 19731 5792 1 6 . 1 1 68 68 THR CA C 68 60.445 60.445 64.397 -3.952 19731 5793 1 6 . 1 1 68 68 THR CB C 68 67.177 67.177 68.791 -1.614 19731 5794 1 6 . 1 1 68 68 THR H H 68 9.645 9.645 8.299 1.346 19731 5795 1 6 . 1 1 69 69 THR N N 69 110.954 110.954 118.610 -7.656 19731 5796 1 6 . 1 1 69 69 THR HA H 69 4.065 4.065 4.550 -0.485 19731 5797 1 6 . 1 1 69 69 THR C C 69 177.184 177.184 173.900 3.284 19731 5798 1 6 . 1 1 69 69 THR CA C 69 62.011 62.011 61.452 0.559 19731 5799 1 6 . 1 1 69 69 THR CB C 69 71.013 71.013 70.162 0.852 19731 5800 1 6 . 1 1 69 69 THR H H 69 7.063 7.063 7.728 -0.665 19731 5801 1 6 . 1 1 70 70 PHE N N 70 111.483 111.483 123.403 -11.920 19731 5802 1 6 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.406 -0.150 19731 5803 1 6 . 1 1 70 70 PHE C C 70 179.029 179.029 175.817 3.212 19731 5804 1 6 . 1 1 70 70 PHE CA C 70 62.559 62.559 59.540 3.019 19731 5805 1 6 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.052 0.319 19731 5806 1 6 . 1 1 70 70 PHE H H 70 8.033 8.033 8.854 -0.821 19731 5807 1 6 . 1 1 71 71 MET N N 71 121.809 121.809 118.379 3.430 19731 5808 1 6 . 1 1 71 71 MET HA H 71 4.055 4.055 4.341 -0.286 19731 5809 1 6 . 1 1 71 71 MET C C 71 179.372 179.372 178.322 1.050 19731 5810 1 6 . 1 1 71 71 MET CA C 71 58.488 58.488 57.332 1.156 19731 5811 1 6 . 1 1 71 71 MET CB C 71 31.036 31.036 31.733 -0.697 19731 5812 1 6 . 1 1 71 71 MET H H 71 8.671 8.671 7.435 1.236 19731 5813 1 6 . 1 1 72 72 ASN N N 72 115.648 115.648 118.588 -2.940 19731 5814 1 6 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.547 -0.390 19731 5815 1 6 . 1 1 72 72 ASN C C 72 173.454 173.454 176.697 -3.243 19731 5816 1 6 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.616 -0.807 19731 5817 1 6 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.530 -1.725 19731 5818 1 6 . 1 1 72 72 ASN H H 72 8.817 8.817 8.141 0.676 19731 5819 1 6 . 1 1 73 73 LEU N N 73 119.077 119.077 118.426 0.651 19731 5820 1 6 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.487 0.486 19731 5821 1 6 . 1 1 73 73 LEU C C 73 177.485 177.485 177.970 -0.485 19731 5822 1 6 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.021 -1.151 19731 5823 1 6 . 1 1 73 73 LEU CB C 73 43.537 43.537 40.442 3.095 19731 5824 1 6 . 1 1 73 73 LEU H H 73 7.362 7.362 8.163 -0.801 19731 5825 1 6 . 1 1 74 74 SER N N 74 114.067 114.067 117.335 -3.268 19731 5826 1 6 . 1 1 74 74 SER HA H 74 4.084 4.084 4.212 -0.128 19731 5827 1 6 . 1 1 74 74 SER C C 74 175.640 175.640 176.408 -0.768 19731 5828 1 6 . 1 1 74 74 SER CA C 74 63.498 63.498 62.566 0.932 19731 5829 1 6 . 1 1 74 74 SER CB C 74 66.081 66.081 63.071 3.010 19731 5830 1 6 . 1 1 74 74 SER H H 74 7.499 7.499 7.433 0.066 19731 5831 1 6 . 1 1 75 75 GLY N N 75 107.827 107.827 108.986 -1.159 19731 5832 1 6 . 1 1 75 75 GLY C C 75 174.954 174.954 176.006 -1.052 19731 5833 1 6 . 1 1 75 75 GLY CA C 75 47.999 47.999 47.019 0.980 19731 5834 1 6 . 1 1 75 75 GLY H H 75 10.017 10.017 8.554 1.463 19731 5835 1 6 . 1 1 76 76 LYS N N 76 120.250 120.250 121.300 -1.050 19731 5836 1 6 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.936 0.037 19731 5837 1 6 . 1 1 76 76 LYS C C 76 179.051 179.051 178.522 0.529 19731 5838 1 6 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.558 -0.287 19731 5839 1 6 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.276 0.537 19731 5840 1 6 . 1 1 76 76 LYS H H 76 7.975 7.975 8.426 -0.451 19731 5841 1 6 . 1 1 77 77 ALA N N 77 121.046 121.046 123.434 -2.388 19731 5842 1 6 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.412 0.026 19731 5843 1 6 . 1 1 77 77 ALA C C 77 177.463 177.463 180.031 -2.568 19731 5844 1 6 . 1 1 77 77 ALA CA C 77 54.966 54.966 54.885 0.081 19731 5845 1 6 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.473 2.285 19731 5846 1 6 . 1 1 77 77 ALA H H 77 6.824 6.824 7.378 -0.554 19731 5847 1 6 . 1 1 78 78 ILE N N 78 115.422 115.422 118.603 -3.181 19731 5848 1 6 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.504 -0.382 19731 5849 1 6 . 1 1 78 78 ILE C C 78 177.163 177.163 177.703 -0.540 19731 5850 1 6 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.917 0.929 19731 5851 1 6 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.576 1.578 19731 5852 1 6 . 1 1 78 78 ILE H H 78 7.124 7.124 7.931 -0.807 19731 5853 1 6 . 1 1 79 79 ALA N N 79 117.952 117.952 122.706 -4.754 19731 5854 1 6 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.788 0.148 19731 5855 1 6 . 1 1 79 79 ALA C C 79 179.329 179.329 178.876 0.453 19731 5856 1 6 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.057 -0.013 19731 5857 1 6 . 1 1 79 79 ALA CB C 79 18.410 18.410 18.005 0.405 19731 5858 1 6 . 1 1 79 79 ALA H H 79 8.644 8.644 8.373 0.271 19731 5859 1 6 . 1 1 80 80 ALA N N 80 118.796 118.796 121.406 -2.610 19731 5860 1 6 . 1 1 80 80 ALA HA H 80 4.307 4.307 3.440 0.867 19731 5861 1 6 . 1 1 80 80 ALA C C 80 180.616 180.616 178.599 2.017 19731 5862 1 6 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.395 1.197 19731 5863 1 6 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.048 0.675 19731 5864 1 6 . 1 1 80 80 ALA H H 80 7.442 7.442 7.895 -0.453 19731 5865 1 6 . 1 1 81 81 LEU N N 81 119.878 119.878 119.816 0.062 19731 5866 1 6 . 1 1 81 81 LEU HA H 81 3.604 3.604 2.940 0.664 19731 5867 1 6 . 1 1 81 81 LEU C C 81 178.750 178.750 177.665 1.085 19731 5868 1 6 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.367 1.904 19731 5869 1 6 . 1 1 81 81 LEU CB C 81 42.598 42.598 40.946 1.653 19731 5870 1 6 . 1 1 81 81 LEU H H 81 7.953 7.953 7.608 0.345 19731 5871 1 6 . 1 1 82 82 ALA N N 82 120.764 120.764 119.224 1.540 19731 5872 1 6 . 1 1 82 82 ALA HA H 82 3.883 3.883 2.582 1.301 19731 5873 1 6 . 1 1 82 82 ALA C C 82 180.273 180.273 179.200 1.073 19731 5874 1 6 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.642 1.498 19731 5875 1 6 . 1 1 82 82 ALA CB C 82 17.236 17.236 17.969 -0.733 19731 5876 1 6 . 1 1 82 82 ALA H H 82 8.906 8.906 7.424 1.482 19731 5877 1 6 . 1 1 83 83 ASN N N 83 113.733 113.733 117.526 -3.793 19731 5878 1 6 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.400 0.126 19731 5879 1 6 . 1 1 83 83 ASN C C 83 178.085 178.085 177.680 0.405 19731 5880 1 6 . 1 1 83 83 ASN CA C 83 55.827 55.827 55.646 0.181 19731 5881 1 6 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.331 0.040 19731 5882 1 6 . 1 1 83 83 ASN H H 83 8.644 8.644 7.793 0.851 19731 5883 1 6 . 1 1 84 84 PHE N N 84 121.327 121.327 118.785 2.542 19731 5884 1 6 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.445 -0.384 19731 5885 1 6 . 1 1 84 84 PHE C C 84 177.164 177.164 177.956 -0.792 19731 5886 1 6 . 1 1 84 84 PHE CA C 84 62.089 62.089 59.825 2.264 19731 5887 1 6 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.521 1.885 19731 5888 1 6 . 1 1 84 84 PHE H H 84 7.621 7.621 7.724 -0.103 19731 5889 1 6 . 1 1 85 85 TYR N N 85 112.890 112.890 116.770 -3.880 19731 5890 1 6 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.469 0.038 19731 5891 1 6 . 1 1 85 85 TYR C C 85 173.732 173.732 176.656 -2.924 19731 5892 1 6 . 1 1 85 85 TYR CA C 85 59.193 59.193 57.290 1.903 19731 5893 1 6 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.672 1.248 19731 5894 1 6 . 1 1 85 85 TYR H H 85 7.578 7.578 7.908 -0.330 19731 5895 1 6 . 1 1 86 86 GLN N N 86 117.671 117.671 116.243 1.428 19731 5896 1 6 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.983 -0.040 19731 5897 1 6 . 1 1 86 86 GLN C C 86 174.675 174.675 174.642 0.033 19731 5898 1 6 . 1 1 86 86 GLN CA C 86 57.236 57.236 57.863 -0.627 19731 5899 1 6 . 1 1 86 86 GLN CB C 86 25.846 25.846 27.800 -1.954 19731 5900 1 6 . 1 1 86 86 GLN H H 86 7.691 7.691 8.331 -0.640 19731 5901 1 6 . 1 1 87 87 ILE N N 87 122.171 122.171 118.589 3.582 19731 5902 1 6 . 1 1 87 87 ILE HA H 87 3.997 3.997 3.869 0.128 19731 5903 1 6 . 1 1 87 87 ILE C C 87 175.597 175.597 175.995 -0.398 19731 5904 1 6 . 1 1 87 87 ILE CA C 87 61.619 61.619 61.960 -0.341 19731 5905 1 6 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.813 2.671 19731 5906 1 6 . 1 1 87 87 ILE H H 87 8.786 8.786 7.906 0.880 19731 5907 1 6 . 1 1 88 88 LYS N N 88 128.639 128.639 125.899 2.740 19731 5908 1 6 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.195 -0.274 19731 5909 1 6 . 1 1 88 88 LYS CA C 88 54.887 54.887 56.952 -2.065 19731 5910 1 6 . 1 1 88 88 LYS CB C 88 31.639 31.639 32.142 -0.503 19731 5911 1 6 . 1 1 88 88 LYS H H 88 8.957 8.957 8.462 0.495 19731 5912 1 6 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.286 -0.266 19731 5913 1 6 . 1 1 89 89 PRO C C 89 176.542 176.542 177.751 -1.209 19731 5914 1 6 . 1 1 89 89 PRO CA C 89 66.297 66.297 64.760 1.538 19731 5915 1 6 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.823 -0.120 19731 5916 1 6 . 1 1 90 90 GLU N N 90 111.202 111.202 115.912 -4.710 19731 5917 1 6 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.048 0.260 19731 5918 1 6 . 1 1 90 90 GLU C C 90 176.241 176.241 176.762 -0.521 19731 5919 1 6 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.049 0.987 19731 5920 1 6 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.483 0.025 19731 5921 1 6 . 1 1 90 90 GLU H H 90 9.328 9.328 8.595 0.733 19731 5922 1 6 . 1 1 91 91 GLU N N 91 116.265 116.265 117.468 -1.203 19731 5923 1 6 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.263 0.669 19731 5924 1 6 . 1 1 91 91 GLU C C 91 175.254 175.254 175.767 -0.513 19731 5925 1 6 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.764 -1.111 19731 5926 1 6 . 1 1 91 91 GLU CB C 91 30.856 30.856 29.864 0.992 19731 5927 1 6 . 1 1 91 91 GLU H H 91 8.101 8.101 7.755 0.346 19731 5928 1 6 . 1 1 92 92 ILE N N 92 122.683 122.683 122.400 0.283 19731 5929 1 6 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.146 0.088 19731 5930 1 6 . 1 1 92 92 ILE C C 92 173.710 173.710 174.738 -1.028 19731 5931 1 6 . 1 1 92 92 ILE CA C 92 60.837 60.837 60.426 0.411 19731 5932 1 6 . 1 1 92 92 ILE CB C 92 40.171 40.171 36.313 3.858 19731 5933 1 6 . 1 1 92 92 ILE H H 92 8.042 8.042 7.057 0.985 19731 5934 1 6 . 1 1 93 93 MET N N 93 125.264 125.264 127.369 -2.105 19731 5935 1 6 . 1 1 93 93 MET HA H 93 5.215 5.215 5.180 0.035 19731 5936 1 6 . 1 1 93 93 MET C C 93 173.454 173.454 175.148 -1.694 19731 5937 1 6 . 1 1 93 93 MET CA C 93 53.322 53.322 54.796 -1.474 19731 5938 1 6 . 1 1 93 93 MET CB C 93 36.570 36.570 35.602 0.968 19731 5939 1 6 . 1 1 93 93 MET H H 93 9.187 9.187 8.328 0.859 19731 5940 1 6 . 1 1 94 94 VAL N N 94 128.639 128.639 123.049 5.590 19731 5941 1 6 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.160 -0.562 19731 5942 1 6 . 1 1 94 94 VAL C C 94 174.675 174.675 174.391 0.284 19731 5943 1 6 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.474 0.832 19731 5944 1 6 . 1 1 94 94 VAL CB C 94 33.518 33.518 34.068 -0.550 19731 5945 1 6 . 1 1 94 94 VAL H H 94 9.406 9.406 8.822 0.584 19731 5946 1 6 . 1 1 95 95 ALA N N 95 132.577 132.577 130.503 2.074 19731 5947 1 6 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.736 -0.001 19731 5948 1 6 . 1 1 95 95 ALA C C 95 175.640 175.640 175.715 -0.075 19731 5949 1 6 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.004 0.187 19731 5950 1 6 . 1 1 95 95 ALA CB C 95 20.210 20.210 21.690 -1.480 19731 5951 1 6 . 1 1 95 95 ALA H H 95 10.008 10.008 9.350 0.658 19731 5952 1 6 . 1 1 96 96 HIS N N 96 119.077 119.077 119.459 -0.382 19731 5953 1 6 . 1 1 96 96 HIS HA H 96 5.347 5.347 4.959 0.388 19731 5954 1 6 . 1 1 96 96 HIS C C 96 171.543 171.543 173.295 -1.752 19731 5955 1 6 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.844 -0.974 19731 5956 1 6 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.612 -0.034 19731 5957 1 6 . 1 1 96 96 HIS H H 96 8.972 8.972 8.409 0.563 19731 5958 1 6 . 1 1 97 97 ASP N N 97 115.983 115.983 119.949 -3.966 19731 5959 1 6 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.808 -0.113 19731 5960 1 6 . 1 1 97 97 ASP C C 97 178.064 178.064 175.477 2.587 19731 5961 1 6 . 1 1 97 97 ASP CA C 97 53.635 53.635 53.483 0.152 19731 5962 1 6 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.604 -0.355 19731 5963 1 6 . 1 1 97 97 ASP H H 97 10.517 10.517 8.576 1.941 19731 5964 1 6 . 1 1 98 98 GLU N N 98 127.233 127.233 120.096 7.137 19731 5965 1 6 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.671 0.484 19731 5966 1 6 . 1 1 98 98 GLU C C 98 174.932 174.932 175.740 -0.808 19731 5967 1 6 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.049 -1.414 19731 5968 1 6 . 1 1 98 98 GLU CB C 98 33.439 33.439 34.115 -0.676 19731 5969 1 6 . 1 1 98 98 GLU H H 98 9.194 9.194 8.689 0.505 19731 5970 1 6 . 1 1 99 99 LEU N N 99 132.858 132.858 116.352 16.506 19731 5971 1 6 . 1 1 99 99 LEU HA H 99 4.626 4.626 5.052 -0.426 19731 5972 1 6 . 1 1 99 99 LEU C C 99 178.128 178.128 175.485 2.643 19731 5973 1 6 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.254 1.747 19731 5974 1 6 . 1 1 99 99 LEU CB C 99 44.555 44.555 42.425 2.130 19731 5975 1 6 . 1 1 99 99 LEU H H 99 8.692 8.692 8.639 0.053 19731 5976 1 6 . 1 1 100 100 ASP N N 100 113.733 113.733 117.972 -4.239 19731 5977 1 6 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.623 -0.012 19731 5978 1 6 . 1 1 100 100 ASP C C 100 175.276 175.276 175.637 -0.361 19731 5979 1 6 . 1 1 100 100 ASP CA C 100 54.966 54.966 54.611 0.355 19731 5980 1 6 . 1 1 100 100 ASP CB C 100 40.876 40.876 40.616 0.260 19731 5981 1 6 . 1 1 100 100 ASP H H 100 9.191 9.191 8.370 0.821 19731 5982 1 6 . 1 1 101 101 LEU N N 101 119.932 119.932 120.961 -1.029 19731 5983 1 6 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.810 -0.009 19731 5984 1 6 . 1 1 101 101 LEU C C 101 172.522 172.522 174.447 -1.925 19731 5985 1 6 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.663 -0.298 19731 5986 1 6 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.188 1.150 19731 5987 1 6 . 1 1 101 101 LEU H H 101 7.427 7.427 7.511 -0.084 19731 5988 1 6 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.443 0.038 19731 5989 1 6 . 1 1 103 103 PRO C C 103 178.429 178.429 176.117 2.312 19731 5990 1 6 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.263 -0.341 19731 5991 1 6 . 1 1 103 103 PRO CB C 103 31.422 31.422 30.560 0.862 19731 5992 1 6 . 1 1 104 104 GLY N N 104 113.733 113.733 106.814 6.919 19731 5993 1 6 . 1 1 104 104 GLY C C 104 172.144 172.144 172.521 -0.377 19731 5994 1 6 . 1 1 104 104 GLY CA C 104 45.964 45.964 46.045 -0.081 19731 5995 1 6 . 1 1 104 104 GLY H H 104 9.826 9.826 8.290 1.536 19731 5996 1 6 . 1 1 105 105 VAL N N 105 116.265 116.265 119.921 -3.656 19731 5997 1 6 . 1 1 105 105 VAL HA H 105 4.704 4.704 4.891 -0.187 19731 5998 1 6 . 1 1 105 105 VAL C C 105 174.654 174.654 173.904 0.750 19731 5999 1 6 . 1 1 105 105 VAL CA C 105 60.523 60.523 60.636 -0.113 19731 6000 1 6 . 1 1 105 105 VAL CB C 105 34.927 34.927 35.449 -0.522 19731 6001 1 6 . 1 1 105 105 VAL H H 105 7.518 7.518 7.461 0.057 19731 6002 1 6 . 1 1 106 106 ALA N N 106 129.764 129.764 129.067 0.697 19731 6003 1 6 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.793 -0.378 19731 6004 1 6 . 1 1 106 106 ALA C C 106 174.954 174.954 175.912 -0.958 19731 6005 1 6 . 1 1 106 106 ALA CA C 106 51.521 51.521 49.681 1.840 19731 6006 1 6 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.422 1.312 19731 6007 1 6 . 1 1 106 106 ALA H H 106 9.484 9.484 9.449 0.035 19731 6008 1 6 . 1 1 107 107 LYS N N 107 113.733 113.733 117.055 -3.322 19731 6009 1 6 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.578 0.343 19731 6010 1 6 . 1 1 107 107 LYS C C 107 176.262 176.262 174.303 1.959 19731 6011 1 6 . 1 1 107 107 LYS CA C 107 54.574 54.574 56.220 -1.646 19731 6012 1 6 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.233 3.390 19731 6013 1 6 . 1 1 107 107 LYS H H 107 8.184 8.184 7.926 0.258 19731 6014 1 6 . 1 1 108 108 PHE N N 108 122.733 122.733 125.677 -2.944 19731 6015 1 6 . 1 1 108 108 PHE HA H 108 6.021 6.021 5.098 0.923 19731 6016 1 6 . 1 1 108 108 PHE C C 108 177.828 177.828 174.713 3.115 19731 6017 1 6 . 1 1 108 108 PHE CA C 108 56.688 56.688 57.380 -0.692 19731 6018 1 6 . 1 1 108 108 PHE CB C 108 42.128 42.128 41.225 0.902 19731 6019 1 6 . 1 1 108 108 PHE H H 108 11.610 11.610 8.506 3.104 19731 6020 1 6 . 1 1 109 109 LYS N N 109 122.733 122.733 126.586 -3.853 19731 6021 1 6 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.300 0.303 19731 6022 1 6 . 1 1 109 109 LYS C C 109 173.152 173.152 173.364 -0.212 19731 6023 1 6 . 1 1 109 109 LYS CA C 109 56.218 56.218 54.029 2.189 19731 6024 1 6 . 1 1 109 109 LYS CB C 109 38.449 38.449 35.668 2.781 19731 6025 1 6 . 1 1 109 109 LYS H H 109 9.275 9.275 8.009 1.266 19731 6026 1 6 . 1 1 110 110 GLN N N 110 126.952 126.952 125.966 0.986 19731 6027 1 6 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.194 -0.068 19731 6028 1 6 . 1 1 110 110 GLN C C 110 175.040 175.040 175.395 -0.355 19731 6029 1 6 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.776 1.115 19731 6030 1 6 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.598 -1.151 19731 6031 1 6 . 1 1 110 110 GLN H H 110 8.910 8.910 8.388 0.522 19731 6032 1 6 . 1 1 111 111 GLY N N 111 113.910 113.910 115.494 -1.584 19731 6033 1 6 . 1 1 111 111 GLY C C 111 171.543 171.543 173.137 -1.594 19731 6034 1 6 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.505 0.128 19731 6035 1 6 . 1 1 111 111 GLY H H 111 7.170 7.170 7.923 -0.753 19731 6036 1 6 . 1 1 112 112 GLY N N 112 102.365 102.365 110.722 -8.357 19731 6037 1 6 . 1 1 112 112 GLY C C 112 174.954 174.954 173.785 1.169 19731 6038 1 6 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.372 -0.991 19731 6039 1 6 . 1 1 112 112 GLY H H 112 7.634 7.634 8.198 -0.564 19731 6040 1 6 . 1 1 113 113 GLY N N 113 104.247 104.247 110.395 -6.148 19731 6041 1 6 . 1 1 113 113 GLY C C 113 174.737 174.737 173.066 1.671 19731 6042 1 6 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.422 -0.017 19731 6043 1 6 . 1 1 113 113 GLY H H 113 8.109 8.109 8.027 0.082 19731 6044 1 6 . 1 1 114 114 HIS N N 114 114.133 114.133 117.315 -3.182 19731 6045 1 6 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.950 -0.429 19731 6046 1 6 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.360 0.837 19731 6047 1 6 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.571 1.088 19731 6048 1 6 . 1 1 114 114 HIS H H 114 7.472 7.472 7.646 -0.174 19731 6049 1 6 . 1 1 115 115 GLY N N 115 111.756 111.756 107.257 4.499 19731 6050 1 6 . 1 1 115 115 GLY C C 115 175.298 175.298 175.155 0.143 19731 6051 1 6 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.511 2.397 19731 6052 1 6 . 1 1 115 115 GLY H H 115 8.472 8.472 8.644 -0.172 19731 6053 1 6 . 1 1 116 116 GLY N N 116 112.890 112.890 112.811 0.079 19731 6054 1 6 . 1 1 116 116 GLY C C 116 174.010 174.010 173.616 0.394 19731 6055 1 6 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.332 -0.614 19731 6056 1 6 . 1 1 116 116 GLY H H 116 11.124 11.124 9.049 2.075 19731 6057 1 6 . 1 1 117 117 HIS N N 117 124.702 124.702 118.705 5.997 19731 6058 1 6 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.746 -0.212 19731 6059 1 6 . 1 1 117 117 HIS C C 117 177.485 177.485 175.216 2.269 19731 6060 1 6 . 1 1 117 117 HIS CA C 117 57.152 57.152 55.362 1.790 19731 6061 1 6 . 1 1 117 117 HIS CB C 117 32.422 32.422 32.837 -0.415 19731 6062 1 6 . 1 1 117 117 HIS H H 117 8.275 8.275 7.958 0.317 19731 6063 1 6 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.334 0.019 19731 6064 1 6 . 1 1 118 118 ASN C C 118 178.751 178.751 177.585 1.166 19731 6065 1 6 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.935 -0.325 19731 6066 1 6 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.087 0.127 19731 6067 1 6 . 1 1 119 119 GLY N N 119 112.608 112.608 108.211 4.397 19731 6068 1 6 . 1 1 119 119 GLY C C 119 177.163 177.163 176.066 1.097 19731 6069 1 6 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.232 0.141 19731 6070 1 6 . 1 1 119 119 GLY H H 119 9.608 9.608 7.878 1.730 19731 6071 1 6 . 1 1 120 120 LEU N N 120 125.827 125.827 123.020 2.807 19731 6072 1 6 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.131 -0.158 19731 6073 1 6 . 1 1 120 120 LEU C C 120 178.729 178.729 179.132 -0.403 19731 6074 1 6 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.818 1.123 19731 6075 1 6 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.785 2.048 19731 6076 1 6 . 1 1 120 120 LEU H H 120 8.199 8.199 7.417 0.782 19731 6077 1 6 . 1 1 121 121 LYS N N 121 119.921 119.921 119.960 -0.039 19731 6078 1 6 . 1 1 121 121 LYS HA H 121 3.681 3.681 3.871 -0.190 19731 6079 1 6 . 1 1 121 121 LYS C C 121 178.708 178.708 179.391 -0.683 19731 6080 1 6 . 1 1 121 121 LYS CA C 121 60.837 60.837 59.087 1.750 19731 6081 1 6 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.739 1.465 19731 6082 1 6 . 1 1 121 121 LYS H H 121 8.760 8.760 8.405 0.355 19731 6083 1 6 . 1 1 122 122 ASP N N 122 117.389 117.389 118.434 -1.045 19731 6084 1 6 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.372 0.178 19731 6085 1 6 . 1 1 122 122 ASP C C 122 178.107 178.107 177.836 0.271 19731 6086 1 6 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.538 0.637 19731 6087 1 6 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.402 3.292 19731 6088 1 6 . 1 1 122 122 ASP H H 122 7.245 7.245 8.510 -1.265 19731 6089 1 6 . 1 1 123 123 THR N N 123 116.546 116.546 116.284 0.262 19731 6090 1 6 . 1 1 123 123 THR HA H 123 3.830 3.830 3.941 -0.111 19731 6091 1 6 . 1 1 123 123 THR C C 123 174.696 174.696 176.589 -1.893 19731 6092 1 6 . 1 1 123 123 THR CA C 123 69.447 69.447 66.731 2.716 19731 6093 1 6 . 1 1 123 123 THR CB C 123 67.803 67.803 68.404 -0.601 19731 6094 1 6 . 1 1 123 123 THR H H 123 7.639 7.639 7.330 0.309 19731 6095 1 6 . 1 1 124 124 ILE N N 124 118.736 118.736 121.565 -2.829 19731 6096 1 6 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.588 0.805 19731 6097 1 6 . 1 1 124 124 ILE C C 124 179.051 179.051 178.081 0.970 19731 6098 1 6 . 1 1 124 124 ILE CA C 124 65.453 65.453 63.873 1.580 19731 6099 1 6 . 1 1 124 124 ILE CB C 124 39.578 39.578 37.379 2.200 19731 6100 1 6 . 1 1 124 124 ILE H H 124 8.078 8.078 7.492 0.587 19731 6101 1 6 . 1 1 125 125 SER N N 125 110.921 110.921 116.371 -5.450 19731 6102 1 6 . 1 1 125 125 SER HA H 125 4.177 4.177 4.076 0.101 19731 6103 1 6 . 1 1 125 125 SER C C 125 178.729 178.729 176.362 2.367 19731 6104 1 6 . 1 1 125 125 SER CA C 125 61.619 61.619 61.895 -0.276 19731 6105 1 6 . 1 1 125 125 SER CB C 125 63.263 63.263 62.877 0.386 19731 6106 1 6 . 1 1 125 125 SER H H 125 7.397 7.397 8.318 -0.921 19731 6107 1 6 . 1 1 126 126 LYS N N 126 119.572 119.572 120.774 -1.202 19731 6108 1 6 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.097 0.150 19731 6109 1 6 . 1 1 126 126 LYS C C 126 178.407 178.407 178.214 0.193 19731 6110 1 6 . 1 1 126 126 LYS CA C 126 58.019 58.019 57.818 0.201 19731 6111 1 6 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.227 -0.353 19731 6112 1 6 . 1 1 126 126 LYS H H 126 8.457 8.457 7.977 0.480 19731 6113 1 6 . 1 1 127 127 LEU N N 127 119.633 119.633 117.521 2.112 19731 6114 1 6 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.220 0.345 19731 6115 1 6 . 1 1 127 127 LEU C C 127 176.542 176.542 177.656 -1.114 19731 6116 1 6 . 1 1 127 127 LEU CA C 127 54.291 54.291 55.117 -0.826 19731 6117 1 6 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.371 -1.920 19731 6118 1 6 . 1 1 127 127 LEU H H 127 7.753 7.753 7.647 0.106 19731 6119 1 6 . 1 1 128 128 GLY N N 128 107.827 107.827 108.730 -0.903 19731 6120 1 6 . 1 1 128 128 GLY C C 128 179.094 179.094 174.387 4.707 19731 6121 1 6 . 1 1 128 128 GLY CA C 128 46.903 46.903 46.083 0.820 19731 6122 1 6 . 1 1 128 128 GLY H H 128 7.773 7.773 7.934 -0.161 19731 6123 1 6 . 1 1 129 129 ASN N N 129 115.879 115.879 123.057 -7.178 19731 6124 1 6 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.826 -0.474 19731 6125 1 6 . 1 1 129 129 ASN C C 129 175.028 175.028 174.533 0.495 19731 6126 1 6 . 1 1 129 129 ASN CA C 129 54.261 54.261 52.241 2.020 19731 6127 1 6 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.661 -1.621 19731 6128 1 6 . 1 1 129 129 ASN H H 129 8.246 8.246 8.497 -0.251 19731 6129 1 6 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.862 -0.168 19731 6130 1 6 . 1 1 131 131 LYS C C 131 178.450 178.450 176.058 2.392 19731 6131 1 6 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.262 0.292 19731 6132 1 6 . 1 1 131 131 LYS CB C 131 33.204 33.204 33.027 0.177 19731 6133 1 6 . 1 1 132 132 GLU N N 132 119.297 119.297 118.149 1.148 19731 6134 1 6 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.354 -0.481 19731 6135 1 6 . 1 1 132 132 GLU C C 132 175.318 175.318 176.009 -0.691 19731 6136 1 6 . 1 1 132 132 GLU CA C 132 56.923 56.923 55.281 1.642 19731 6137 1 6 . 1 1 132 132 GLU CB C 132 27.803 27.803 29.143 -1.340 19731 6138 1 6 . 1 1 132 132 GLU H H 132 8.699 8.699 8.508 0.191 19731 6139 1 6 . 1 1 133 133 PHE N N 133 114.296 114.296 118.151 -3.855 19731 6140 1 6 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.512 0.555 19731 6141 1 6 . 1 1 133 133 PHE C C 133 177.785 177.785 174.834 2.951 19731 6142 1 6 . 1 1 133 133 PHE CA C 133 55.201 55.201 56.664 -1.463 19731 6143 1 6 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.978 1.271 19731 6144 1 6 . 1 1 133 133 PHE H H 133 6.669 6.669 7.617 -0.948 19731 6145 1 6 . 1 1 134 134 TYR N N 134 121.046 121.046 121.480 -0.434 19731 6146 1 6 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.272 -0.299 19731 6147 1 6 . 1 1 134 134 TYR C C 134 176.219 176.219 176.031 0.188 19731 6148 1 6 . 1 1 134 134 TYR CA C 134 59.506 59.506 55.463 4.043 19731 6149 1 6 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.550 1.108 19731 6150 1 6 . 1 1 134 134 TYR H H 134 9.230 9.230 8.800 0.430 19731 6151 1 6 . 1 1 135 135 ARG N N 135 119.639 119.639 117.392 2.247 19731 6152 1 6 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.350 0.558 19731 6153 1 6 . 1 1 135 135 ARG C C 135 174.353 174.353 173.873 0.480 19731 6154 1 6 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.049 -0.291 19731 6155 1 6 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.704 -1.517 19731 6156 1 6 . 1 1 135 135 ARG H H 135 9.896 9.896 8.591 1.305 19731 6157 1 6 . 1 1 136 136 LEU N N 136 126.108 126.108 118.309 7.799 19731 6158 1 6 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.665 -0.807 19731 6159 1 6 . 1 1 136 136 LEU C C 136 173.131 173.131 176.063 -2.932 19731 6160 1 6 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.697 1.034 19731 6161 1 6 . 1 1 136 136 LEU CB C 136 42.989 42.989 45.242 -2.253 19731 6162 1 6 . 1 1 136 136 LEU H H 136 8.601 8.601 9.017 -0.416 19731 6163 1 6 . 1 1 137 137 ARG N N 137 124.421 124.421 122.374 2.047 19731 6164 1 6 . 1 1 137 137 ARG HA H 137 3.540 3.540 4.919 -1.379 19731 6165 1 6 . 1 1 137 137 ARG C C 137 174.010 174.010 175.509 -1.499 19731 6166 1 6 . 1 1 137 137 ARG CA C 137 54.484 54.484 54.239 0.245 19731 6167 1 6 . 1 1 137 137 ARG CB C 137 32.265 32.265 31.590 0.675 19731 6168 1 6 . 1 1 137 137 ARG H H 137 9.230 9.230 8.373 0.857 19731 6169 1 6 . 1 1 138 138 LEU N N 138 125.827 125.827 125.017 0.810 19731 6170 1 6 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.550 -0.101 19731 6171 1 6 . 1 1 138 138 LEU C C 138 175.940 175.940 176.786 -0.846 19731 6172 1 6 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.663 0.207 19731 6173 1 6 . 1 1 138 138 LEU CB C 138 41.580 41.580 42.218 -0.638 19731 6174 1 6 . 1 1 138 138 LEU H H 138 8.640 8.640 8.965 -0.325 19731 6175 1 6 . 1 1 139 139 GLY N N 139 113.171 113.171 112.649 0.522 19731 6176 1 6 . 1 1 139 139 GLY C C 139 174.353 174.353 174.369 -0.016 19731 6177 1 6 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.842 2.940 19731 6178 1 6 . 1 1 139 139 GLY H H 139 8.578 8.578 8.998 -0.420 19731 6179 1 6 . 1 1 140 140 ILE N N 140 112.046 112.046 121.662 -9.616 19731 6180 1 6 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.518 0.243 19731 6181 1 6 . 1 1 140 140 ILE C C 140 178.707 178.707 175.118 3.589 19731 6182 1 6 . 1 1 140 140 ILE CA C 140 60.837 60.837 60.536 0.301 19731 6183 1 6 . 1 1 140 140 ILE CB C 140 42.050 42.050 39.646 2.404 19731 6184 1 6 . 1 1 140 140 ILE H H 140 8.125 8.125 8.698 -0.573 19731 6185 1 6 . 1 1 141 141 GLY N N 141 116.265 116.265 110.256 6.009 19731 6186 1 6 . 1 1 141 141 GLY C C 141 167.232 167.232 173.419 -6.187 19731 6187 1 6 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.854 0.562 19731 6188 1 6 . 1 1 141 141 GLY H H 141 9.411 9.411 7.777 1.634 19731 6189 1 6 . 1 1 142 142 HIS N N 142 113.452 113.452 122.567 -9.115 19731 6190 1 6 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.942 -0.577 19731 6191 1 6 . 1 1 142 142 HIS C C 142 175.640 175.640 173.289 2.351 19731 6192 1 6 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.963 1.124 19731 6193 1 6 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.499 4.114 19731 6194 1 6 . 1 1 142 142 HIS H H 142 7.578 7.578 8.109 -0.531 19731 6195 1 6 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.678 -0.055 19731 6196 1 6 . 1 1 143 143 PRO C C 143 176.842 176.842 175.980 0.862 19731 6197 1 6 . 1 1 143 143 PRO CA C 143 62.922 62.922 62.678 0.244 19731 6198 1 6 . 1 1 143 143 PRO CB C 143 32.828 32.828 33.033 -0.205 19731 6199 1 6 . 1 1 144 144 GLY N N 144 106.468 106.468 110.413 -3.945 19731 6200 1 6 . 1 1 144 144 GLY C C 144 173.411 173.411 173.632 -0.221 19731 6201 1 6 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.278 -0.057 19731 6202 1 6 . 1 1 144 144 GLY H H 144 8.133 8.133 8.634 -0.501 19731 6203 1 6 . 1 1 145 145 HIS N N 145 117.271 117.271 123.169 -5.898 19731 6204 1 6 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.844 -0.310 19731 6205 1 6 . 1 1 145 145 HIS C C 145 176.636 176.636 176.575 0.061 19731 6206 1 6 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.279 1.800 19731 6207 1 6 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.981 2.163 19731 6208 1 6 . 1 1 145 145 HIS H H 145 7.067 7.067 8.549 -1.482 19731 6209 1 6 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.047 0.195 19731 6210 1 6 . 1 1 146 146 LYS C C 146 178.429 178.429 177.768 0.661 19731 6211 1 6 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.195 0.352 19731 6212 1 6 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.176 0.090 19731 6213 1 6 . 1 1 147 147 ASP N N 147 122.171 122.171 120.092 2.079 19731 6214 1 6 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.709 -0.072 19731 6215 1 6 . 1 1 147 147 ASP C C 147 177.442 177.442 176.998 0.444 19731 6216 1 6 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.154 -0.014 19731 6217 1 6 . 1 1 147 147 ASP CB C 147 40.093 40.093 41.172 -1.079 19731 6218 1 6 . 1 1 147 147 ASP H H 147 10.805 10.805 8.605 2.200 19731 6219 1 6 . 1 1 148 148 LYS N N 148 116.546 116.546 118.717 -2.171 19731 6220 1 6 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.582 -0.068 19731 6221 1 6 . 1 1 148 148 LYS C C 148 177.163 177.163 176.928 0.235 19731 6222 1 6 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.376 1.451 19731 6223 1 6 . 1 1 148 148 LYS CB C 148 34.613 34.613 32.044 2.570 19731 6224 1 6 . 1 1 148 148 LYS H H 148 7.775 7.775 8.044 -0.269 19731 6225 1 6 . 1 1 149 149 VAL N N 149 121.046 121.046 118.046 3.000 19731 6226 1 6 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.601 -0.356 19731 6227 1 6 . 1 1 149 149 VAL C C 149 176.241 176.241 176.958 -0.717 19731 6228 1 6 . 1 1 149 149 VAL CA C 149 68.195 68.195 66.044 2.151 19731 6229 1 6 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.403 0.706 19731 6230 1 6 . 1 1 149 149 VAL H H 149 7.366 7.366 7.256 0.110 19731 6231 1 6 . 1 1 150 150 ALA N N 150 121.889 121.889 122.227 -0.338 19731 6232 1 6 . 1 1 150 150 ALA HA H 150 4.049 4.049 4.086 -0.037 19731 6233 1 6 . 1 1 150 150 ALA C C 150 180.016 180.016 178.891 1.125 19731 6234 1 6 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.178 1.649 19731 6235 1 6 . 1 1 150 150 ALA CB C 150 17.627 17.627 18.092 -0.465 19731 6236 1 6 . 1 1 150 150 ALA H H 150 8.675 8.675 8.066 0.609 19731 6237 1 6 . 1 1 151 151 GLY N N 151 102.202 102.202 105.579 -3.377 19731 6238 1 6 . 1 1 151 151 GLY C C 151 175.919 175.919 175.306 0.613 19731 6239 1 6 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.697 -0.733 19731 6240 1 6 . 1 1 151 151 GLY H H 151 8.366 8.366 7.657 0.709 19731 6241 1 6 . 1 1 152 152 TYR N N 152 123.296 123.296 118.843 4.453 19731 6242 1 6 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.531 -0.300 19731 6243 1 6 . 1 1 152 152 TYR C C 152 179.694 179.694 177.106 2.588 19731 6244 1 6 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.226 3.159 19731 6245 1 6 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.822 2.662 19731 6246 1 6 . 1 1 152 152 TYR H H 152 7.942 7.942 6.839 1.103 19731 6247 1 6 . 1 1 153 153 VAL N N 153 112.890 112.890 117.446 -4.556 19731 6248 1 6 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.987 0.041 19731 6249 1 6 . 1 1 153 153 VAL C C 153 175.620 175.620 177.185 -1.565 19731 6250 1 6 . 1 1 153 153 VAL CA C 153 65.142 65.142 64.950 0.192 19731 6251 1 6 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.334 -1.243 19731 6252 1 6 . 1 1 153 153 VAL H H 153 8.618 8.618 7.414 1.204 19731 6253 1 6 . 1 1 154 154 LEU N N 154 117.108 117.108 112.391 4.717 19731 6254 1 6 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.656 0.061 19731 6255 1 6 . 1 1 154 154 LEU C C 154 175.297 175.297 176.666 -1.369 19731 6256 1 6 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.733 0.215 19731 6257 1 6 . 1 1 154 154 LEU CB C 154 40.641 40.641 40.991 -0.350 19731 6258 1 6 . 1 1 154 154 LEU H H 154 6.897 6.897 7.688 -0.791 19731 6259 1 6 . 1 1 155 155 GLY N N 155 107.827 107.827 107.963 -0.136 19731 6260 1 6 . 1 1 155 155 GLY C C 155 171.844 171.844 173.788 -1.944 19731 6261 1 6 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.882 -0.267 19731 6262 1 6 . 1 1 155 155 GLY H H 155 7.351 7.351 7.924 -0.573 19731 6263 1 6 . 1 1 156 156 LYS N N 156 118.233 118.233 120.947 -2.714 19731 6264 1 6 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.639 0.017 19731 6265 1 6 . 1 1 156 156 LYS C C 156 176.541 176.541 176.675 -0.134 19731 6266 1 6 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.170 -0.283 19731 6267 1 6 . 1 1 156 156 LYS CB C 156 33.518 33.518 32.532 0.986 19731 6268 1 6 . 1 1 156 156 LYS H H 156 8.154 8.154 8.382 -0.228 19731 6269 1 6 . 1 1 157 157 ALA N N 157 130.608 130.608 130.028 0.580 19731 6270 1 6 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.588 -0.194 19731 6271 1 6 . 1 1 157 157 ALA C C 157 175.876 175.876 175.097 0.779 19731 6272 1 6 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.950 0.945 19731 6273 1 6 . 1 1 157 157 ALA CB C 157 17.784 17.784 17.992 -0.208 19731 6274 1 6 . 1 1 157 157 ALA H H 157 9.777 9.777 8.254 1.523 19731 6275 1 6 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.419 0.097 19731 6276 1 6 . 1 1 158 158 PRO C C 158 176.532 176.532 177.212 -0.680 19731 6277 1 6 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.593 -0.425 19731 6278 1 6 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.323 0.020 19731 6279 1 6 . 1 1 159 159 ALA N N 159 123.733 123.733 125.663 -1.930 19731 6280 1 6 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.005 0.039 19731 6281 1 6 . 1 1 159 159 ALA C C 159 179.706 179.706 179.139 0.567 19731 6282 1 6 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.254 1.512 19731 6283 1 6 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.422 0.458 19731 6284 1 6 . 1 1 159 159 ALA H H 159 8.575 8.575 8.534 0.041 19731 6285 1 6 . 1 1 160 160 LYS N N 160 116.796 116.796 116.070 0.726 19731 6286 1 6 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.314 -0.157 19731 6287 1 6 . 1 1 160 160 LYS C C 160 179.115 179.115 178.393 0.722 19731 6288 1 6 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.571 0.387 19731 6289 1 6 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.416 0.145 19731 6290 1 6 . 1 1 160 160 LYS H H 160 8.883 8.883 8.366 0.517 19731 6291 1 6 . 1 1 161 161 GLU N N 161 118.514 118.514 120.680 -2.166 19731 6292 1 6 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.156 -0.042 19731 6293 1 6 . 1 1 161 161 GLU C C 161 178.707 178.707 178.714 -0.007 19731 6294 1 6 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.116 1.233 19731 6295 1 6 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.473 1.774 19731 6296 1 6 . 1 1 161 161 GLU H H 161 6.988 6.988 7.745 -0.757 19731 6297 1 6 . 1 1 162 162 GLN N N 162 120.202 120.202 118.710 1.492 19731 6298 1 6 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.026 -0.326 19731 6299 1 6 . 1 1 162 162 GLN C C 162 177.184 177.184 178.090 -0.906 19731 6300 1 6 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.655 -0.636 19731 6301 1 6 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.738 -0.464 19731 6302 1 6 . 1 1 162 162 GLN H H 162 8.988 8.988 8.053 0.935 19731 6303 1 6 . 1 1 163 163 GLU N N 163 117.952 117.952 120.291 -2.339 19731 6304 1 6 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.105 0.035 19731 6305 1 6 . 1 1 163 163 GLU C C 163 180.273 180.273 178.827 1.446 19731 6306 1 6 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.470 0.427 19731 6307 1 6 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.283 0.477 19731 6308 1 6 . 1 1 163 163 GLU H H 163 8.063 8.063 7.933 0.130 19731 6309 1 6 . 1 1 164 164 CYS N N 164 118.796 118.796 116.917 1.879 19731 6310 1 6 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.223 -0.083 19731 6311 1 6 . 1 1 164 164 CYS C C 164 176.562 176.562 176.673 -0.111 19731 6312 1 6 . 1 1 164 164 CYS CA C 164 63.420 63.420 62.962 0.458 19731 6313 1 6 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.527 -0.211 19731 6314 1 6 . 1 1 164 164 CYS H H 164 7.306 7.306 7.590 -0.284 19731 6315 1 6 . 1 1 165 165 LEU N N 165 121.327 121.327 122.041 -0.714 19731 6316 1 6 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.051 0.246 19731 6317 1 6 . 1 1 165 165 LEU C C 165 179.029 179.029 178.423 0.606 19731 6318 1 6 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.065 0.345 19731 6319 1 6 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.835 0.450 19731 6320 1 6 . 1 1 165 165 LEU H H 165 8.357 8.357 7.545 0.812 19731 6321 1 6 . 1 1 166 166 ASP N N 166 119.358 119.358 118.861 0.497 19731 6322 1 6 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.594 -0.363 19731 6323 1 6 . 1 1 166 166 ASP C C 166 179.029 179.029 178.412 0.617 19731 6324 1 6 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.428 -0.036 19731 6325 1 6 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.997 -1.296 19731 6326 1 6 . 1 1 166 166 ASP H H 166 9.169 9.169 8.522 0.647 19731 6327 1 6 . 1 1 167 167 ALA N N 167 122.171 122.171 121.236 0.935 19731 6328 1 6 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.222 0.100 19731 6329 1 6 . 1 1 167 167 ALA C C 167 180.616 180.616 179.450 1.166 19731 6330 1 6 . 1 1 167 167 ALA CA C 167 54.966 54.966 54.823 0.143 19731 6331 1 6 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.416 0.072 19731 6332 1 6 . 1 1 167 167 ALA H H 167 7.745 7.745 7.824 -0.079 19731 6333 1 6 . 1 1 168 168 ALA N N 168 122.452 122.452 121.635 0.817 19731 6334 1 6 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.153 -0.089 19731 6335 1 6 . 1 1 168 168 ALA C C 168 180.917 180.917 179.267 1.650 19731 6336 1 6 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.760 0.675 19731 6337 1 6 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.378 -0.673 19731 6338 1 6 . 1 1 168 168 ALA H H 168 8.164 8.164 7.601 0.563 19731 6339 1 6 . 1 1 169 169 VAL N N 169 124.702 124.702 117.424 7.278 19731 6340 1 6 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.549 -0.107 19731 6341 1 6 . 1 1 169 169 VAL C C 169 177.442 177.442 177.290 0.152 19731 6342 1 6 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.679 1.046 19731 6343 1 6 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.316 0.323 19731 6344 1 6 . 1 1 169 169 VAL H H 169 9.052 9.052 7.600 1.452 19731 6345 1 6 . 1 1 170 170 ASP N N 170 119.358 119.358 119.864 -0.506 19731 6346 1 6 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.291 -0.056 19731 6347 1 6 . 1 1 170 170 ASP C C 170 178.750 178.750 178.018 0.732 19731 6348 1 6 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.768 0.094 19731 6349 1 6 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.920 -0.201 19731 6350 1 6 . 1 1 170 170 ASP H H 170 8.139 8.139 7.504 0.635 19731 6351 1 6 . 1 1 171 171 GLU N N 171 119.639 119.639 119.087 0.552 19731 6352 1 6 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.837 0.305 19731 6353 1 6 . 1 1 171 171 GLU C C 171 179.050 179.050 179.135 -0.085 19731 6354 1 6 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.890 -0.715 19731 6355 1 6 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.670 -0.554 19731 6356 1 6 . 1 1 171 171 GLU H H 171 7.821 7.821 7.480 0.341 19731 6357 1 6 . 1 1 172 172 SER N N 172 119.251 119.251 116.203 3.048 19731 6358 1 6 . 1 1 172 172 SER HA H 172 3.818 3.818 4.241 -0.423 19731 6359 1 6 . 1 1 172 172 SER C C 172 175.919 175.919 176.859 -0.940 19731 6360 1 6 . 1 1 172 172 SER CA C 172 64.594 64.594 61.794 2.800 19731 6361 1 6 . 1 1 172 172 SER CB C 172 62.794 62.794 63.033 -0.239 19731 6362 1 6 . 1 1 172 172 SER H H 172 8.457 8.457 8.348 0.108 19731 6363 1 6 . 1 1 173 173 VAL N N 173 121.889 121.889 117.298 4.591 19731 6364 1 6 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.822 -0.360 19731 6365 1 6 . 1 1 173 173 VAL C C 173 178.407 178.407 177.035 1.372 19731 6366 1 6 . 1 1 173 173 VAL CA C 173 67.803 67.803 64.988 2.815 19731 6367 1 6 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.337 0.067 19731 6368 1 6 . 1 1 173 173 VAL H H 173 8.316 8.316 7.729 0.587 19731 6369 1 6 . 1 1 174 174 ARG N N 174 118.796 118.796 120.528 -1.732 19731 6370 1 6 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.035 0.097 19731 6371 1 6 . 1 1 174 174 ARG C C 174 180.938 180.938 178.454 2.484 19731 6372 1 6 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.262 1.244 19731 6373 1 6 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.291 0.782 19731 6374 1 6 . 1 1 174 174 ARG H H 174 7.669 7.669 7.963 -0.294 19731 6375 1 6 . 1 1 175 175 CYS N N 175 117.070 117.070 117.278 -0.208 19731 6376 1 6 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.150 0.177 19731 6377 1 6 . 1 1 175 175 CYS C C 175 176.541 176.541 176.762 -0.221 19731 6378 1 6 . 1 1 175 175 CYS CA C 175 64.437 64.437 61.808 2.629 19731 6379 1 6 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.233 1.022 19731 6380 1 6 . 1 1 175 175 CYS H H 175 8.649 8.649 7.827 0.822 19731 6381 1 6 . 1 1 176 176 LEU N N 176 125.264 125.264 120.843 4.421 19731 6382 1 6 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.992 0.088 19731 6383 1 6 . 1 1 176 176 LEU C C 176 178.450 178.450 179.225 -0.775 19731 6384 1 6 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.454 0.408 19731 6385 1 6 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.185 0.708 19731 6386 1 6 . 1 1 176 176 LEU H H 176 8.699 8.699 7.608 1.091 19731 6387 1 6 . 1 1 177 177 GLU N N 177 118.260 118.260 118.846 -0.586 19731 6388 1 6 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.123 -0.362 19731 6389 1 6 . 1 1 177 177 GLU C C 177 179.029 179.029 178.712 0.317 19731 6390 1 6 . 1 1 177 177 GLU CA C 177 60.523 60.523 58.529 1.994 19731 6391 1 6 . 1 1 177 177 GLU CB C 177 29.212 29.212 30.229 -1.017 19731 6392 1 6 . 1 1 177 177 GLU H H 177 7.533 7.533 7.578 -0.045 19731 6393 1 6 . 1 1 178 178 ILE N N 178 118.788 118.788 120.812 -2.024 19731 6394 1 6 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.788 -0.111 19731 6395 1 6 . 1 1 178 178 ILE C C 178 177.785 177.785 177.752 0.033 19731 6396 1 6 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.534 1.608 19731 6397 1 6 . 1 1 178 178 ILE CB C 178 38.527 38.527 37.141 1.386 19731 6398 1 6 . 1 1 178 178 ILE H H 178 7.384 7.384 8.251 -0.867 19731 6399 1 6 . 1 1 179 179 LEU N N 179 123.577 123.577 120.586 2.991 19731 6400 1 6 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.011 -0.311 19731 6401 1 6 . 1 1 179 179 LEU C C 179 178.129 178.129 178.301 -0.172 19731 6402 1 6 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.091 0.554 19731 6403 1 6 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.056 -0.163 19731 6404 1 6 . 1 1 179 179 LEU H H 179 8.503 8.503 8.350 0.153 19731 6405 1 6 . 1 1 180 180 MET N N 180 113.171 113.171 113.548 -0.377 19731 6406 1 6 . 1 1 180 180 MET HA H 180 4.186 4.186 4.303 -0.117 19731 6407 1 6 . 1 1 180 180 MET C C 180 176.498 176.498 177.162 -0.664 19731 6408 1 6 . 1 1 180 180 MET CA C 180 55.905 55.905 57.925 -2.020 19731 6409 1 6 . 1 1 180 180 MET CB C 180 31.013 31.013 32.793 -1.780 19731 6410 1 6 . 1 1 180 180 MET H H 180 7.139 7.139 7.482 -0.343 19731 6411 1 6 . 1 1 181 181 LYS N N 181 117.952 117.952 116.298 1.654 19731 6412 1 6 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.348 -0.075 19731 6413 1 6 . 1 1 181 181 LYS C C 181 176.542 176.542 177.484 -0.942 19731 6414 1 6 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.537 1.186 19731 6415 1 6 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.271 1.656 19731 6416 1 6 . 1 1 181 181 LYS H H 181 7.665 7.665 7.552 0.113 19731 6417 1 6 . 1 1 182 182 ASP N N 182 116.827 116.827 118.348 -1.521 19731 6418 1 6 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.808 0.112 19731 6419 1 6 . 1 1 182 182 ASP C C 182 177.485 177.485 175.474 2.011 19731 6420 1 6 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.780 1.107 19731 6421 1 6 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.656 1.134 19731 6422 1 6 . 1 1 182 182 ASP H H 182 9.191 9.191 8.298 0.893 19731 6423 1 6 . 1 1 183 183 GLY N N 183 110.358 110.358 108.016 2.342 19731 6424 1 6 . 1 1 183 183 GLY C C 183 173.410 173.410 175.002 -1.592 19731 6425 1 6 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.534 0.107 19731 6426 1 6 . 1 1 183 183 GLY H H 183 7.745 7.745 7.404 0.341 19731 6427 1 6 . 1 1 184 184 LEU N N 184 118.796 118.796 118.202 0.594 19731 6428 1 6 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.004 -0.304 19731 6429 1 6 . 1 1 184 184 LEU C C 184 177.506 177.506 177.938 -0.432 19731 6430 1 6 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.469 0.941 19731 6431 1 6 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.092 1.114 19731 6432 1 6 . 1 1 184 184 LEU H H 184 8.381 8.381 8.534 -0.153 19731 6433 1 6 . 1 1 185 185 THR N N 185 115.421 115.421 111.631 3.790 19731 6434 1 6 . 1 1 185 185 THR HA H 185 3.819 3.819 3.952 -0.133 19731 6435 1 6 . 1 1 185 185 THR C C 185 176.520 176.520 176.552 -0.032 19731 6436 1 6 . 1 1 185 185 THR CA C 185 67.021 67.021 64.962 2.059 19731 6437 1 6 . 1 1 185 185 THR CB C 185 68.351 68.351 68.374 -0.023 19731 6438 1 6 . 1 1 185 185 THR H H 185 8.336 8.336 7.882 0.454 19731 6439 1 6 . 1 1 186 186 LYS N N 186 120.202 120.202 122.258 -2.056 19731 6440 1 6 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.013 -0.055 19731 6441 1 6 . 1 1 186 186 LYS C C 186 179.329 179.329 178.630 0.699 19731 6442 1 6 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.914 0.633 19731 6443 1 6 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.777 0.566 19731 6444 1 6 . 1 1 186 186 LYS H H 186 8.237 8.237 8.121 0.116 19731 6445 1 6 . 1 1 187 187 ALA N N 187 121.889 121.889 121.559 0.330 19731 6446 1 6 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.016 -0.103 19731 6447 1 6 . 1 1 187 187 ALA C C 187 178.772 178.772 179.696 -0.924 19731 6448 1 6 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.164 0.741 19731 6449 1 6 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.024 1.560 19731 6450 1 6 . 1 1 187 187 ALA H H 187 7.566 7.566 7.697 -0.131 19731 6451 1 6 . 1 1 188 188 GLN N N 188 117.952 117.952 118.994 -1.042 19731 6452 1 6 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.974 -0.165 19731 6453 1 6 . 1 1 188 188 GLN C C 188 176.863 176.863 178.342 -1.479 19731 6454 1 6 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.684 0.352 19731 6455 1 6 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.407 0.649 19731 6456 1 6 . 1 1 188 188 GLN H H 188 9.125 9.125 8.298 0.827 19731 6457 1 6 . 1 1 189 189 ASN N N 189 117.100 117.100 117.493 -0.393 19731 6458 1 6 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.500 -0.074 19731 6459 1 6 . 1 1 189 189 ASN C C 189 177.463 177.463 177.812 -0.349 19731 6460 1 6 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.352 -0.682 19731 6461 1 6 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.671 -0.692 19731 6462 1 6 . 1 1 189 189 ASN H H 189 8.275 8.275 8.282 -0.007 19731 6463 1 6 . 1 1 190 190 ARG N N 190 117.389 117.389 118.262 -0.873 19731 6464 1 6 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.175 0.320 19731 6465 1 6 . 1 1 190 190 ARG C C 190 178.428 178.428 177.775 0.653 19731 6466 1 6 . 1 1 190 190 ARG CA C 190 59.036 59.036 57.959 1.077 19731 6467 1 6 . 1 1 190 190 ARG CB C 190 29.760 29.760 30.466 -0.706 19731 6468 1 6 . 1 1 190 190 ARG H H 190 7.230 7.230 8.181 -0.951 19731 6469 1 6 . 1 1 191 191 LEU N N 191 122.155 122.155 119.937 2.218 19731 6470 1 6 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.234 -0.094 19731 6471 1 6 . 1 1 191 191 LEU C C 191 179.373 179.373 178.409 0.964 19731 6472 1 6 . 1 1 191 191 LEU CA C 191 58.645 58.645 57.349 1.296 19731 6473 1 6 . 1 1 191 191 LEU CB C 191 41.502 41.502 42.584 -1.081 19731 6474 1 6 . 1 1 191 191 LEU H H 191 8.624 8.624 8.242 0.382 19731 6475 1 6 . 1 1 192 192 HIS N N 192 113.452 113.452 118.322 -4.870 19731 6476 1 6 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.428 0.663 19731 6477 1 6 . 1 1 192 192 HIS C C 192 177.163 177.163 176.982 0.181 19731 6478 1 6 . 1 1 192 192 HIS CA C 192 57.001 57.001 58.780 -1.779 19731 6479 1 6 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.007 -1.656 19731 6480 1 6 . 1 1 192 192 HIS H H 192 9.017 9.017 8.266 0.751 19731 6481 1 6 . 1 1 193 193 THR N N 193 110.077 110.077 113.756 -3.679 19731 6482 1 6 . 1 1 193 193 THR HA H 193 4.499 4.499 4.059 0.440 19731 6483 1 6 . 1 1 193 193 THR C C 193 174.053 174.053 174.619 -0.566 19731 6484 1 6 . 1 1 193 193 THR CA C 193 62.011 62.011 63.827 -1.816 19731 6485 1 6 . 1 1 193 193 THR CB C 193 69.995 69.995 69.108 0.887 19731 6486 1 6 . 1 1 193 193 THR H H 193 7.632 7.632 7.473 0.159 19731 6487 1 6 . 1 1 194 194 PHE N N 194 124.702 124.702 123.653 1.049 19731 6488 1 6 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.464 -0.015 19731 6489 1 6 . 1 1 194 194 PHE C C 194 175.640 175.640 173.286 2.354 19731 6490 1 6 . 1 1 194 194 PHE CA C 194 59.271 59.271 58.216 1.055 19731 6491 1 6 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.447 -0.589 19731 6492 1 6 . 1 1 194 194 PHE H H 194 7.722 7.722 7.856 -0.134 19731 6493 1 6 . 1 1 195 195 LYS N N 195 128.639 128.639 124.220 4.419 19731 6494 1 6 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.587 -0.392 19731 6495 1 6 . 1 1 195 195 LYS C C 195 174.032 174.032 174.579 -0.547 19731 6496 1 6 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.729 2.724 19731 6497 1 6 . 1 1 195 195 LYS CB C 195 34.927 34.927 33.380 1.547 19731 6498 1 6 . 1 1 195 195 LYS H H 195 7.615 7.615 7.519 0.096 19731 6499 1 6 . 1 1 196 196 ALA N N 196 129.483 129.483 128.673 0.810 19731 6500 1 6 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.085 0.194 19731 6501 1 6 . 1 1 196 196 ALA C C 196 175.619 175.619 176.297 -0.678 19731 6502 1 6 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.315 -0.167 19731 6503 1 6 . 1 1 196 196 ALA CB C 196 20.602 20.602 18.155 2.447 19731 6504 1 6 . 1 1 196 196 ALA H H 196 8.324 8.324 8.602 -0.278 19731 6505 1 7 . 1 1 2 2 VAL N N 2 122.420 122.420 120.967 1.453 19731 6506 1 7 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.429 -0.262 19731 6507 1 7 . 1 1 2 2 VAL C C 2 175.919 175.919 176.054 -0.135 19731 6508 1 7 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.534 0.633 19731 6509 1 7 . 1 1 2 2 VAL CB C 2 33.109 33.109 31.442 1.667 19731 6510 1 7 . 1 1 2 2 VAL H H 2 8.260 8.260 8.332 -0.072 19731 6511 1 7 . 1 1 3 3 SER N N 3 119.915 119.915 121.695 -1.780 19731 6512 1 7 . 1 1 3 3 SER HA H 3 4.134 4.134 4.323 -0.189 19731 6513 1 7 . 1 1 3 3 SER C C 3 173.731 173.731 174.641 -0.910 19731 6514 1 7 . 1 1 3 3 SER CA C 3 58.253 58.253 59.437 -1.184 19731 6515 1 7 . 1 1 3 3 SER CB C 3 63.811 63.811 63.743 0.068 19731 6516 1 7 . 1 1 3 3 SER H H 3 8.381 8.381 8.794 -0.413 19731 6517 1 7 . 1 1 4 4 GLN N N 4 123.810 123.810 121.032 2.778 19731 6518 1 7 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.822 -0.353 19731 6519 1 7 . 1 1 4 4 GLN C C 4 174.067 174.067 173.497 0.570 19731 6520 1 7 . 1 1 4 4 GLN CA C 4 53.478 53.478 52.935 0.543 19731 6521 1 7 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.678 -0.284 19731 6522 1 7 . 1 1 4 4 GLN H H 4 8.412 8.412 8.189 0.223 19731 6523 1 7 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.416 -0.070 19731 6524 1 7 . 1 1 5 5 PRO C C 5 176.242 176.242 176.319 -0.077 19731 6525 1 7 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.246 2.082 19731 6526 1 7 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.133 0.414 19731 6527 1 7 . 1 1 6 6 ILE N N 6 114.232 114.232 120.060 -5.828 19731 6528 1 7 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.822 0.349 19731 6529 1 7 . 1 1 6 6 ILE C C 6 175.577 175.577 176.666 -1.089 19731 6530 1 7 . 1 1 6 6 ILE CA C 6 59.036 59.036 61.916 -2.880 19731 6531 1 7 . 1 1 6 6 ILE CB C 6 38.684 38.684 37.531 1.153 19731 6532 1 7 . 1 1 6 6 ILE H H 6 7.745 7.745 8.348 -0.603 19731 6533 1 7 . 1 1 7 7 LYS N N 7 121.791 121.791 126.511 -4.720 19731 6534 1 7 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.206 0.282 19731 6535 1 7 . 1 1 7 7 LYS C C 7 175.898 175.898 176.099 -0.201 19731 6536 1 7 . 1 1 7 7 LYS CA C 7 56.766 56.766 57.762 -0.996 19731 6537 1 7 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.352 2.929 19731 6538 1 7 . 1 1 7 7 LYS H H 7 9.462 9.462 7.992 1.470 19731 6539 1 7 . 1 1 8 8 LEU N N 8 122.642 122.642 112.474 10.168 19731 6540 1 7 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.547 -0.360 19731 6541 1 7 . 1 1 8 8 LEU C C 8 171.543 171.543 174.823 -3.280 19731 6542 1 7 . 1 1 8 8 LEU CA C 8 53.219 53.219 52.831 0.388 19731 6543 1 7 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.791 0.083 19731 6544 1 7 . 1 1 8 8 LEU H H 8 7.532 7.532 7.450 0.082 19731 6545 1 7 . 1 1 9 9 LEU N N 9 128.904 128.904 118.860 10.044 19731 6546 1 7 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.539 0.012 19731 6547 1 7 . 1 1 9 9 LEU C C 9 173.410 173.410 175.177 -1.767 19731 6548 1 7 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.700 0.363 19731 6549 1 7 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.966 0.597 19731 6550 1 7 . 1 1 9 9 LEU H H 9 8.900 8.900 9.034 -0.134 19731 6551 1 7 . 1 1 10 10 VAL N N 10 126.431 126.431 115.436 10.995 19731 6552 1 7 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.358 -0.014 19731 6553 1 7 . 1 1 10 10 VAL C C 10 174.353 174.353 175.066 -0.713 19731 6554 1 7 . 1 1 10 10 VAL CA C 10 58.880 58.880 58.592 0.288 19731 6555 1 7 . 1 1 10 10 VAL CB C 10 35.250 35.250 34.666 0.584 19731 6556 1 7 . 1 1 10 10 VAL H H 10 9.246 9.246 9.034 0.212 19731 6557 1 7 . 1 1 11 11 GLY N N 11 115.421 115.421 109.431 5.990 19731 6558 1 7 . 1 1 11 11 GLY C C 11 170.943 170.943 173.149 -2.206 19731 6559 1 7 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.715 1.457 19731 6560 1 7 . 1 1 11 11 GLY H H 11 8.738 8.738 8.249 0.489 19731 6561 1 7 . 1 1 12 12 LEU N N 12 119.415 119.415 124.586 -5.171 19731 6562 1 7 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.727 -0.511 19731 6563 1 7 . 1 1 12 12 LEU C C 12 176.498 176.498 175.681 0.817 19731 6564 1 7 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.160 1.589 19731 6565 1 7 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.793 -2.465 19731 6566 1 7 . 1 1 12 12 LEU H H 12 7.423 7.423 8.732 -1.309 19731 6567 1 7 . 1 1 13 13 ALA N N 13 121.608 121.608 125.581 -3.973 19731 6568 1 7 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.736 -0.368 19731 6569 1 7 . 1 1 13 13 ALA C C 13 177.463 177.463 174.907 2.556 19731 6570 1 7 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.777 1.997 19731 6571 1 7 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.937 3.704 19731 6572 1 7 . 1 1 13 13 ALA H H 13 8.627 8.627 8.315 0.312 19731 6573 1 7 . 1 1 14 14 ASN N N 14 116.827 116.827 119.352 -2.525 19731 6574 1 7 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.508 -0.104 19731 6575 1 7 . 1 1 14 14 ASN C C 14 173.431 173.431 174.629 -1.198 19731 6576 1 7 . 1 1 14 14 ASN CA C 14 51.052 51.052 51.321 -0.269 19731 6577 1 7 . 1 1 14 14 ASN CB C 14 40.484 40.484 39.229 1.255 19731 6578 1 7 . 1 1 14 14 ASN H H 14 8.896 8.896 8.044 0.852 19731 6579 1 7 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.136 0.221 19731 6580 1 7 . 1 1 17 17 PRO C C 17 179.073 179.073 178.496 0.577 19731 6581 1 7 . 1 1 17 17 PRO CA C 17 65.172 65.172 65.246 -0.074 19731 6582 1 7 . 1 1 17 17 PRO CB C 17 31.874 31.874 31.989 -0.115 19731 6583 1 7 . 1 1 18 18 GLU N N 18 118.514 118.514 115.638 2.876 19731 6584 1 7 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.189 -0.135 19731 6585 1 7 . 1 1 18 18 GLU C C 18 177.807 177.807 178.801 -0.994 19731 6586 1 7 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.709 0.092 19731 6587 1 7 . 1 1 18 18 GLU CB C 18 28.429 28.429 29.151 -0.722 19731 6588 1 7 . 1 1 18 18 GLU H H 18 9.729 9.729 8.733 0.996 19731 6589 1 7 . 1 1 19 19 TYR N N 19 115.421 115.421 118.168 -2.747 19731 6590 1 7 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.866 -1.439 19731 6591 1 7 . 1 1 19 19 TYR C C 19 177.549 177.549 176.231 1.318 19731 6592 1 7 . 1 1 19 19 TYR CA C 19 58.332 58.332 55.673 2.659 19731 6593 1 7 . 1 1 19 19 TYR CB C 19 39.701 39.701 37.671 2.030 19731 6594 1 7 . 1 1 19 19 TYR H H 19 7.268 7.268 7.526 -0.258 19731 6595 1 7 . 1 1 20 20 ALA N N 20 123.858 123.858 121.281 2.577 19731 6596 1 7 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.304 0.125 19731 6597 1 7 . 1 1 20 20 ALA C C 20 178.365 178.365 178.029 0.336 19731 6598 1 7 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.860 2.123 19731 6599 1 7 . 1 1 20 20 ALA CB C 20 19.741 19.741 19.500 0.241 19731 6600 1 7 . 1 1 20 20 ALA H H 20 7.245 7.245 7.644 -0.399 19731 6601 1 7 . 1 1 21 21 LYS N N 21 114.577 114.577 115.163 -0.586 19731 6602 1 7 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.214 0.569 19731 6603 1 7 . 1 1 21 21 LYS C C 21 176.541 176.541 176.846 -0.305 19731 6604 1 7 . 1 1 21 21 LYS CA C 21 54.414 54.414 57.471 -3.057 19731 6605 1 7 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.407 -0.298 19731 6606 1 7 . 1 1 21 21 LYS H H 21 8.894 8.894 7.627 1.267 19731 6607 1 7 . 1 1 22 22 THR N N 22 111.202 111.202 116.443 -5.241 19731 6608 1 7 . 1 1 22 22 THR HA H 22 4.495 4.495 4.340 0.155 19731 6609 1 7 . 1 1 22 22 THR C C 22 175.277 175.277 174.719 0.558 19731 6610 1 7 . 1 1 22 22 THR CA C 22 61.306 61.306 64.160 -2.854 19731 6611 1 7 . 1 1 22 22 THR CB C 22 72.109 72.109 69.594 2.515 19731 6612 1 7 . 1 1 22 22 THR H H 22 7.927 7.927 7.340 0.587 19731 6613 1 7 . 1 1 23 23 ARG N N 23 119.639 119.639 124.100 -4.461 19731 6614 1 7 . 1 1 23 23 ARG HA H 23 4.508 4.508 3.972 0.536 19731 6615 1 7 . 1 1 23 23 ARG C C 23 177.142 177.142 176.430 0.712 19731 6616 1 7 . 1 1 23 23 ARG CA C 23 60.993 60.993 57.696 3.297 19731 6617 1 7 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.083 1.791 19731 6618 1 7 . 1 1 23 23 ARG H H 23 8.245 8.245 8.148 0.097 19731 6619 1 7 . 1 1 24 24 HIS N N 24 115.140 115.140 115.654 -0.514 19731 6620 1 7 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.800 -0.872 19731 6621 1 7 . 1 1 24 24 HIS C C 24 173.109 173.109 174.702 -1.593 19731 6622 1 7 . 1 1 24 24 HIS CA C 24 53.870 53.870 56.230 -2.360 19731 6623 1 7 . 1 1 24 24 HIS CB C 24 29.003 29.003 28.167 0.836 19731 6624 1 7 . 1 1 24 24 HIS H H 24 8.245 8.245 8.127 0.118 19731 6625 1 7 . 1 1 25 25 ASN N N 25 115.140 115.140 118.287 -3.147 19731 6626 1 7 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.766 -0.005 19731 6627 1 7 . 1 1 25 25 ASN C C 25 175.234 175.234 175.367 -0.133 19731 6628 1 7 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.410 -0.262 19731 6629 1 7 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.629 -0.415 19731 6630 1 7 . 1 1 25 25 ASN H H 25 7.661 7.661 7.642 0.019 19731 6631 1 7 . 1 1 26 26 ALA N N 26 120.764 120.764 123.919 -3.155 19731 6632 1 7 . 1 1 26 26 ALA HA H 26 4.757 4.757 4.132 0.625 19731 6633 1 7 . 1 1 26 26 ALA C C 26 178.428 178.428 179.253 -0.825 19731 6634 1 7 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.236 -0.740 19731 6635 1 7 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.286 0.124 19731 6636 1 7 . 1 1 26 26 ALA H H 26 7.148 7.148 7.581 -0.433 19731 6637 1 7 . 1 1 27 27 GLY N N 27 100.254 100.254 104.976 -4.722 19731 6638 1 7 . 1 1 27 27 GLY C C 27 176.520 176.520 175.606 0.914 19731 6639 1 7 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.587 0.394 19731 6640 1 7 . 1 1 27 27 GLY H H 27 8.957 8.957 8.087 0.870 19731 6641 1 7 . 1 1 28 28 ALA N N 28 123.296 123.296 124.353 -1.057 19731 6642 1 7 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.479 -0.289 19731 6643 1 7 . 1 1 28 28 ALA C C 28 179.373 179.373 178.982 0.391 19731 6644 1 7 . 1 1 28 28 ALA CA C 28 55.592 55.592 54.025 1.567 19731 6645 1 7 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.458 -0.126 19731 6646 1 7 . 1 1 28 28 ALA H H 28 7.090 7.090 7.654 -0.564 19731 6647 1 7 . 1 1 29 29 TRP N N 29 117.952 117.952 120.740 -2.788 19731 6648 1 7 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.354 0.363 19731 6649 1 7 . 1 1 29 29 TRP C C 29 179.973 179.973 178.311 1.662 19731 6650 1 7 . 1 1 29 29 TRP CA C 29 57.862 57.862 61.180 -3.318 19731 6651 1 7 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.170 -1.114 19731 6652 1 7 . 1 1 29 29 TRP H H 29 7.649 7.649 8.400 -0.751 19731 6653 1 7 . 1 1 30 30 VAL N N 30 116.082 116.082 115.096 0.986 19731 6654 1 7 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.812 -0.256 19731 6655 1 7 . 1 1 30 30 VAL C C 30 176.542 176.542 177.678 -1.136 19731 6656 1 7 . 1 1 30 30 VAL CA C 30 66.160 66.160 66.066 0.095 19731 6657 1 7 . 1 1 30 30 VAL CB C 30 32.030 32.030 30.951 1.079 19731 6658 1 7 . 1 1 30 30 VAL H H 30 7.263 7.263 7.763 -0.500 19731 6659 1 7 . 1 1 31 31 VAL N N 31 118.514 118.514 121.033 -2.519 19731 6660 1 7 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.714 -0.454 19731 6661 1 7 . 1 1 31 31 VAL C C 31 177.142 177.142 178.168 -1.026 19731 6662 1 7 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.569 1.079 19731 6663 1 7 . 1 1 31 31 VAL CB C 31 31.639 31.639 30.807 0.832 19731 6664 1 7 . 1 1 31 31 VAL H H 31 6.912 6.912 7.317 -0.405 19731 6665 1 7 . 1 1 32 32 GLU N N 32 117.882 117.882 120.154 -2.272 19731 6666 1 7 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.930 -0.139 19731 6667 1 7 . 1 1 32 32 GLU C C 32 179.715 179.715 178.771 0.944 19731 6668 1 7 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.758 0.296 19731 6669 1 7 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.384 0.689 19731 6670 1 7 . 1 1 32 32 GLU H H 32 9.069 9.069 8.732 0.337 19731 6671 1 7 . 1 1 33 33 GLU N N 33 120.202 120.202 120.684 -0.482 19731 6672 1 7 . 1 1 33 33 GLU HA H 33 4.504 4.504 4.029 0.475 19731 6673 1 7 . 1 1 33 33 GLU C C 33 177.807 177.807 178.948 -1.141 19731 6674 1 7 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.882 -0.394 19731 6675 1 7 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.140 -0.163 19731 6676 1 7 . 1 1 33 33 GLU H H 33 7.967 7.967 7.742 0.225 19731 6677 1 7 . 1 1 34 34 LEU N N 34 121.046 121.046 119.801 1.245 19731 6678 1 7 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.974 0.049 19731 6679 1 7 . 1 1 34 34 LEU C C 34 178.429 178.429 178.958 -0.529 19731 6680 1 7 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.926 0.496 19731 6681 1 7 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.520 0.921 19731 6682 1 7 . 1 1 34 34 LEU H H 34 8.297 8.297 7.763 0.534 19731 6683 1 7 . 1 1 35 35 ALA N N 35 118.233 118.233 121.445 -3.212 19731 6684 1 7 . 1 1 35 35 ALA HA H 35 3.867 3.867 4.079 -0.212 19731 6685 1 7 . 1 1 35 35 ALA C C 35 178.729 178.729 179.752 -1.023 19731 6686 1 7 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.028 0.642 19731 6687 1 7 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.231 -1.074 19731 6688 1 7 . 1 1 35 35 ALA H H 35 8.450 8.450 7.823 0.627 19731 6689 1 7 . 1 1 36 36 ARG N N 36 118.796 118.796 118.610 0.186 19731 6690 1 7 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.089 -0.049 19731 6691 1 7 . 1 1 36 36 ARG C C 36 181.217 181.217 178.416 2.801 19731 6692 1 7 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.861 0.959 19731 6693 1 7 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.527 0.016 19731 6694 1 7 . 1 1 36 36 ARG H H 36 8.063 8.063 7.907 0.156 19731 6695 1 7 . 1 1 37 37 ILE N N 37 119.077 119.077 118.220 0.857 19731 6696 1 7 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.877 -0.126 19731 6697 1 7 . 1 1 37 37 ILE C C 37 177.443 177.443 177.723 -0.280 19731 6698 1 7 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.879 0.480 19731 6699 1 7 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.741 0.473 19731 6700 1 7 . 1 1 37 37 ILE H H 37 8.420 8.420 8.339 0.081 19731 6701 1 7 . 1 1 38 38 HIS N N 38 116.546 116.546 116.480 0.066 19731 6702 1 7 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.517 -0.118 19731 6703 1 7 . 1 1 38 38 HIS C C 38 173.452 173.452 175.051 -1.599 19731 6704 1 7 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.820 0.416 19731 6705 1 7 . 1 1 38 38 HIS CB C 38 30.699 30.699 30.660 0.039 19731 6706 1 7 . 1 1 38 38 HIS H H 38 7.635 7.635 7.891 -0.256 19731 6707 1 7 . 1 1 39 39 ASN N N 39 117.108 117.108 117.699 -0.591 19731 6708 1 7 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.417 -0.065 19731 6709 1 7 . 1 1 39 39 ASN C C 39 174.310 174.310 173.722 0.588 19731 6710 1 7 . 1 1 39 39 ASN CA C 39 54.653 54.653 54.059 0.594 19731 6711 1 7 . 1 1 39 39 ASN CB C 39 37.353 37.353 36.747 0.606 19731 6712 1 7 . 1 1 39 39 ASN H H 39 7.942 7.942 7.847 0.095 19731 6713 1 7 . 1 1 40 40 VAL N N 40 119.921 119.921 118.626 1.295 19731 6714 1 7 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.517 -0.301 19731 6715 1 7 . 1 1 40 40 VAL C C 40 175.361 175.361 175.167 0.194 19731 6716 1 7 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.054 1.722 19731 6717 1 7 . 1 1 40 40 VAL CB C 40 34.222 34.222 34.653 -0.431 19731 6718 1 7 . 1 1 40 40 VAL H H 40 8.578 8.578 7.865 0.713 19731 6719 1 7 . 1 1 41 41 THR N N 41 123.878 123.878 121.771 2.107 19731 6720 1 7 . 1 1 41 41 THR HA H 41 4.231 4.231 4.399 -0.168 19731 6721 1 7 . 1 1 41 41 THR C C 41 174.033 174.033 174.160 -0.127 19731 6722 1 7 . 1 1 41 41 THR CA C 41 61.776 61.776 61.300 0.476 19731 6723 1 7 . 1 1 41 41 THR CB C 41 69.525 69.525 68.620 0.905 19731 6724 1 7 . 1 1 41 41 THR H H 41 8.617 8.617 8.516 0.101 19731 6725 1 7 . 1 1 42 42 LEU N N 42 128.639 128.639 128.329 0.310 19731 6726 1 7 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.434 -0.097 19731 6727 1 7 . 1 1 42 42 LEU C C 42 175.919 175.919 176.809 -0.890 19731 6728 1 7 . 1 1 42 42 LEU CA C 42 54.809 54.809 55.063 -0.255 19731 6729 1 7 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.572 1.321 19731 6730 1 7 . 1 1 42 42 LEU H H 42 8.783 8.783 8.661 0.122 19731 6731 1 7 . 1 1 43 43 LYS N N 43 122.452 122.452 125.241 -2.789 19731 6732 1 7 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.518 0.071 19731 6733 1 7 . 1 1 43 43 LYS C C 43 175.619 175.619 175.431 0.188 19731 6734 1 7 . 1 1 43 43 LYS CA C 43 54.496 54.496 55.303 -0.807 19731 6735 1 7 . 1 1 43 43 LYS CB C 43 35.944 35.944 33.834 2.110 19731 6736 1 7 . 1 1 43 43 LYS H H 43 8.738 8.738 8.599 0.139 19731 6737 1 7 . 1 1 44 44 ASN N N 44 123.014 123.014 122.668 0.346 19731 6738 1 7 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.809 -0.229 19731 6739 1 7 . 1 1 44 44 ASN C C 44 174.718 174.718 175.142 -0.424 19731 6740 1 7 . 1 1 44 44 ASN CA C 44 54.484 54.484 53.295 1.189 19731 6741 1 7 . 1 1 44 44 ASN CB C 44 38.840 38.840 39.123 -0.283 19731 6742 1 7 . 1 1 44 44 ASN H H 44 8.906 8.906 8.772 0.134 19731 6743 1 7 . 1 1 45 45 GLU N N 45 128.921 128.921 123.648 5.273 19731 6744 1 7 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.757 -0.383 19731 6745 1 7 . 1 1 45 45 GLU C C 45 173.731 173.731 175.177 -1.446 19731 6746 1 7 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.833 0.411 19731 6747 1 7 . 1 1 45 45 GLU CB C 45 31.639 31.639 31.000 0.639 19731 6748 1 7 . 1 1 45 45 GLU H H 45 8.675 8.675 8.886 -0.211 19731 6749 1 7 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.109 -0.121 19731 6750 1 7 . 1 1 46 46 PRO C C 46 175.298 175.298 176.634 -1.336 19731 6751 1 7 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.276 0.709 19731 6752 1 7 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.860 0.170 19731 6753 1 7 . 1 1 47 47 LYS N N 47 115.793 115.793 116.075 -0.282 19731 6754 1 7 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.776 -0.258 19731 6755 1 7 . 1 1 47 47 LYS C C 47 174.998 174.998 177.611 -2.613 19731 6756 1 7 . 1 1 47 47 LYS CA C 47 57.862 57.862 57.866 -0.004 19731 6757 1 7 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.581 -1.020 19731 6758 1 7 . 1 1 47 47 LYS H H 47 8.239 8.239 8.248 -0.009 19731 6759 1 7 . 1 1 48 48 PHE N N 48 114.577 114.577 115.451 -0.874 19731 6760 1 7 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.785 0.105 19731 6761 1 7 . 1 1 48 48 PHE C C 48 172.810 172.810 175.471 -2.661 19731 6762 1 7 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.021 -2.151 19731 6763 1 7 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.245 0.456 19731 6764 1 7 . 1 1 48 48 PHE H H 48 7.398 7.398 7.133 0.265 19731 6765 1 7 . 1 1 49 49 PHE N N 49 110.358 110.358 116.835 -6.477 19731 6766 1 7 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.113 -0.261 19731 6767 1 7 . 1 1 49 49 PHE C C 49 175.298 175.298 174.633 0.665 19731 6768 1 7 . 1 1 49 49 PHE CA C 49 58.019 58.019 59.046 -1.027 19731 6769 1 7 . 1 1 49 49 PHE CB C 49 36.431 36.431 36.747 -0.316 19731 6770 1 7 . 1 1 49 49 PHE H H 49 6.923 6.923 7.811 -0.888 19731 6771 1 7 . 1 1 50 50 GLY N N 50 136.915 136.915 104.038 32.877 19731 6772 1 7 . 1 1 50 50 GLY C C 50 170.643 170.643 172.036 -1.393 19731 6773 1 7 . 1 1 50 50 GLY CA C 50 47.138 47.138 44.972 2.166 19731 6774 1 7 . 1 1 50 50 GLY H H 50 6.836 6.836 7.743 -0.907 19731 6775 1 7 . 1 1 51 51 LEU N N 51 119.282 119.282 120.823 -1.541 19731 6776 1 7 . 1 1 51 51 LEU HA H 51 4.837 4.837 5.306 -0.469 19731 6777 1 7 . 1 1 51 51 LEU C C 51 177.164 177.164 176.588 0.576 19731 6778 1 7 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.236 -1.149 19731 6779 1 7 . 1 1 51 51 LEU CB C 51 44.163 44.163 43.105 1.058 19731 6780 1 7 . 1 1 51 51 LEU H H 51 8.692 8.692 8.539 0.153 19731 6781 1 7 . 1 1 52 52 THR N N 52 112.608 112.608 119.785 -7.177 19731 6782 1 7 . 1 1 52 52 THR HA H 52 5.529 5.529 5.414 0.115 19731 6783 1 7 . 1 1 52 52 THR C C 52 173.732 173.732 173.529 0.203 19731 6784 1 7 . 1 1 52 52 THR CA C 52 59.036 59.036 60.128 -1.092 19731 6785 1 7 . 1 1 52 52 THR CB C 52 72.578 72.578 71.419 1.159 19731 6786 1 7 . 1 1 52 52 THR H H 52 9.230 9.230 9.168 0.062 19731 6787 1 7 . 1 1 53 53 GLY N N 53 105.858 105.858 112.328 -6.470 19731 6788 1 7 . 1 1 53 53 GLY C C 53 171.545 171.545 171.266 0.279 19731 6789 1 7 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.812 0.212 19731 6790 1 7 . 1 1 53 53 GLY H H 53 7.881 7.881 9.108 -1.227 19731 6791 1 7 . 1 1 54 54 ARG N N 54 122.128 122.128 125.305 -3.177 19731 6792 1 7 . 1 1 54 54 ARG HA H 54 4.861 4.861 5.272 -0.411 19731 6793 1 7 . 1 1 54 54 ARG C C 54 172.767 172.767 175.127 -2.360 19731 6794 1 7 . 1 1 54 54 ARG CA C 54 55.749 55.749 54.620 1.129 19731 6795 1 7 . 1 1 54 54 ARG CB C 54 32.813 32.813 31.106 1.707 19731 6796 1 7 . 1 1 54 54 ARG H H 54 8.627 8.627 8.571 0.056 19731 6797 1 7 . 1 1 55 55 LEU N N 55 125.264 125.264 123.931 1.333 19731 6798 1 7 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.659 -0.075 19731 6799 1 7 . 1 1 55 55 LEU C C 55 174.011 174.011 174.492 -0.481 19731 6800 1 7 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.116 0.989 19731 6801 1 7 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.769 0.473 19731 6802 1 7 . 1 1 55 55 LEU H H 55 8.968 8.968 9.086 -0.118 19731 6803 1 7 . 1 1 56 56 LEU N N 56 123.577 123.577 127.824 -4.247 19731 6804 1 7 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.697 0.323 19731 6805 1 7 . 1 1 56 56 LEU C C 56 176.263 176.263 176.331 -0.068 19731 6806 1 7 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.234 -0.546 19731 6807 1 7 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.394 1.300 19731 6808 1 7 . 1 1 56 56 LEU H H 56 8.405 8.405 8.806 -0.401 19731 6809 1 7 . 1 1 57 57 ILE N N 57 123.748 123.748 120.326 3.422 19731 6810 1 7 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.734 -0.524 19731 6811 1 7 . 1 1 57 57 ILE C C 57 175.655 175.655 175.765 -0.110 19731 6812 1 7 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.596 0.536 19731 6813 1 7 . 1 1 57 57 ILE CB C 57 40.484 40.484 39.750 0.734 19731 6814 1 7 . 1 1 57 57 ILE H H 57 8.617 8.617 8.755 -0.138 19731 6815 1 7 . 1 1 58 58 ASN N N 58 127.486 127.486 126.101 1.385 19731 6816 1 7 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.312 0.010 19731 6817 1 7 . 1 1 58 58 ASN C C 58 174.976 174.976 174.976 0.000 19731 6818 1 7 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.782 -1.016 19731 6819 1 7 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.862 -0.117 19731 6820 1 7 . 1 1 58 58 ASN H H 58 9.489 9.489 9.121 0.368 19731 6821 1 7 . 1 1 59 59 SER N N 59 106.702 106.702 112.715 -6.013 19731 6822 1 7 . 1 1 59 59 SER HA H 59 3.833 3.833 4.547 -0.714 19731 6823 1 7 . 1 1 59 59 SER C C 59 172.510 172.510 172.916 -0.406 19731 6824 1 7 . 1 1 59 59 SER CA C 59 60.445 60.445 58.088 2.357 19731 6825 1 7 . 1 1 59 59 SER CB C 59 62.246 62.246 65.393 -3.147 19731 6826 1 7 . 1 1 59 59 SER H H 59 8.664 8.664 8.222 0.442 19731 6827 1 7 . 1 1 60 60 GLN N N 60 120.764 120.764 122.056 -1.292 19731 6828 1 7 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.624 -0.134 19731 6829 1 7 . 1 1 60 60 GLN C C 60 174.310 174.310 174.019 0.291 19731 6830 1 7 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.369 -0.186 19731 6831 1 7 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.660 -1.491 19731 6832 1 7 . 1 1 60 60 GLN H H 60 7.925 7.925 7.982 -0.057 19731 6833 1 7 . 1 1 61 61 GLU N N 61 122.452 122.452 124.820 -2.368 19731 6834 1 7 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.274 0.352 19731 6835 1 7 . 1 1 61 61 GLU C C 61 174.932 174.932 175.362 -0.430 19731 6836 1 7 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.928 -0.101 19731 6837 1 7 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.020 2.619 19731 6838 1 7 . 1 1 61 61 GLU H H 61 8.613 8.613 8.663 -0.050 19731 6839 1 7 . 1 1 62 62 LEU N N 62 129.483 129.483 127.260 2.223 19731 6840 1 7 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.473 0.010 19731 6841 1 7 . 1 1 62 62 LEU C C 62 175.276 175.276 175.347 -0.071 19731 6842 1 7 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.973 -0.260 19731 6843 1 7 . 1 1 62 62 LEU CB C 62 45.416 45.416 44.198 1.218 19731 6844 1 7 . 1 1 62 62 LEU H H 62 9.131 9.131 8.690 0.441 19731 6845 1 7 . 1 1 63 63 ARG N N 63 125.546 125.546 126.229 -0.683 19731 6846 1 7 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.099 -0.215 19731 6847 1 7 . 1 1 63 63 ARG C C 63 174.998 174.998 174.324 0.674 19731 6848 1 7 . 1 1 63 63 ARG CA C 63 55.983 55.983 55.214 0.769 19731 6849 1 7 . 1 1 63 63 ARG CB C 63 31.013 31.013 32.059 -1.046 19731 6850 1 7 . 1 1 63 63 ARG H H 63 7.802 7.802 8.696 -0.894 19731 6851 1 7 . 1 1 64 64 VAL N N 64 112.608 112.608 123.964 -11.356 19731 6852 1 7 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.528 0.312 19731 6853 1 7 . 1 1 64 64 VAL C C 64 174.353 174.353 173.455 0.898 19731 6854 1 7 . 1 1 64 64 VAL CA C 64 57.784 57.784 58.876 -1.092 19731 6855 1 7 . 1 1 64 64 VAL CB C 64 34.927 34.927 36.278 -1.351 19731 6856 1 7 . 1 1 64 64 VAL H H 64 8.199 8.199 9.085 -0.886 19731 6857 1 7 . 1 1 65 65 LEU N N 65 122.279 122.279 129.701 -7.422 19731 6858 1 7 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.655 -0.129 19731 6859 1 7 . 1 1 65 65 LEU C C 65 174.353 174.353 174.363 -0.010 19731 6860 1 7 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.886 -0.329 19731 6861 1 7 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.325 1.361 19731 6862 1 7 . 1 1 65 65 LEU H H 65 8.163 8.163 8.246 -0.083 19731 6863 1 7 . 1 1 66 66 ILE N N 66 126.952 126.952 125.688 1.264 19731 6864 1 7 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.131 -0.009 19731 6865 1 7 . 1 1 66 66 ILE C C 66 173.817 173.817 173.362 0.455 19731 6866 1 7 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.986 1.581 19731 6867 1 7 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.827 -0.012 19731 6868 1 7 . 1 1 66 66 ILE H H 66 9.131 9.131 8.958 0.173 19731 6869 1 7 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.855 -0.347 19731 6870 1 7 . 1 1 67 67 PRO C C 67 177.786 177.786 177.193 0.593 19731 6871 1 7 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.683 0.520 19731 6872 1 7 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.285 0.824 19731 6873 1 7 . 1 1 68 68 THR N N 68 115.421 115.421 115.562 -0.141 19731 6874 1 7 . 1 1 68 68 THR HA H 68 4.370 4.370 4.244 0.126 19731 6875 1 7 . 1 1 68 68 THR C C 68 174.054 174.054 175.898 -1.844 19731 6876 1 7 . 1 1 68 68 THR CA C 68 60.445 60.445 65.026 -4.581 19731 6877 1 7 . 1 1 68 68 THR CB C 68 67.177 67.177 69.081 -1.904 19731 6878 1 7 . 1 1 68 68 THR H H 68 9.645 9.645 9.050 0.595 19731 6879 1 7 . 1 1 69 69 THR N N 69 110.954 110.954 120.337 -9.383 19731 6880 1 7 . 1 1 69 69 THR HA H 69 4.065 4.065 4.654 -0.589 19731 6881 1 7 . 1 1 69 69 THR C C 69 177.184 177.184 174.427 2.757 19731 6882 1 7 . 1 1 69 69 THR CA C 69 62.011 62.011 61.471 0.540 19731 6883 1 7 . 1 1 69 69 THR CB C 69 71.013 71.013 69.088 1.925 19731 6884 1 7 . 1 1 69 69 THR H H 69 7.063 7.063 8.033 -0.970 19731 6885 1 7 . 1 1 70 70 PHE N N 70 111.483 111.483 125.328 -13.845 19731 6886 1 7 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.764 -0.508 19731 6887 1 7 . 1 1 70 70 PHE C C 70 179.029 179.029 175.373 3.656 19731 6888 1 7 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.463 4.096 19731 6889 1 7 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.431 -0.060 19731 6890 1 7 . 1 1 70 70 PHE H H 70 8.033 8.033 8.845 -0.812 19731 6891 1 7 . 1 1 71 71 MET N N 71 121.809 121.809 119.193 2.616 19731 6892 1 7 . 1 1 71 71 MET HA H 71 4.055 4.055 4.312 -0.257 19731 6893 1 7 . 1 1 71 71 MET C C 71 179.372 179.372 176.819 2.553 19731 6894 1 7 . 1 1 71 71 MET CA C 71 58.488 58.488 57.210 1.278 19731 6895 1 7 . 1 1 71 71 MET CB C 71 31.036 31.036 31.846 -0.810 19731 6896 1 7 . 1 1 71 71 MET H H 71 8.671 8.671 7.707 0.964 19731 6897 1 7 . 1 1 72 72 ASN N N 72 115.648 115.648 116.353 -0.705 19731 6898 1 7 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.656 -0.499 19731 6899 1 7 . 1 1 72 72 ASN C C 72 173.454 173.454 176.790 -3.336 19731 6900 1 7 . 1 1 72 72 ASN CA C 72 54.809 54.809 54.797 0.012 19731 6901 1 7 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.587 -1.782 19731 6902 1 7 . 1 1 72 72 ASN H H 72 8.817 8.817 7.998 0.819 19731 6903 1 7 . 1 1 73 73 LEU N N 73 119.077 119.077 119.048 0.029 19731 6904 1 7 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.257 0.716 19731 6905 1 7 . 1 1 73 73 LEU C C 73 177.485 177.485 177.392 0.093 19731 6906 1 7 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.074 -1.204 19731 6907 1 7 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.326 2.211 19731 6908 1 7 . 1 1 73 73 LEU H H 73 7.362 7.362 8.084 -0.722 19731 6909 1 7 . 1 1 74 74 SER N N 74 114.067 114.067 117.280 -3.213 19731 6910 1 7 . 1 1 74 74 SER HA H 74 4.084 4.084 4.319 -0.235 19731 6911 1 7 . 1 1 74 74 SER C C 74 175.640 175.640 176.891 -1.251 19731 6912 1 7 . 1 1 74 74 SER CA C 74 63.498 63.498 62.461 1.037 19731 6913 1 7 . 1 1 74 74 SER CB C 74 66.081 66.081 62.593 3.488 19731 6914 1 7 . 1 1 74 74 SER H H 74 7.499 7.499 8.169 -0.670 19731 6915 1 7 . 1 1 75 75 GLY N N 75 107.827 107.827 109.027 -1.200 19731 6916 1 7 . 1 1 75 75 GLY C C 75 174.954 174.954 175.763 -0.809 19731 6917 1 7 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.637 1.362 19731 6918 1 7 . 1 1 75 75 GLY H H 75 10.017 10.017 8.783 1.234 19731 6919 1 7 . 1 1 76 76 LYS N N 76 120.250 120.250 121.639 -1.389 19731 6920 1 7 . 1 1 76 76 LYS HA H 76 3.973 3.973 4.028 -0.055 19731 6921 1 7 . 1 1 76 76 LYS C C 76 179.051 179.051 178.522 0.529 19731 6922 1 7 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.648 -0.376 19731 6923 1 7 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.268 0.545 19731 6924 1 7 . 1 1 76 76 LYS H H 76 7.975 7.975 7.954 0.021 19731 6925 1 7 . 1 1 77 77 ALA N N 77 121.046 121.046 123.587 -2.541 19731 6926 1 7 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.372 0.066 19731 6927 1 7 . 1 1 77 77 ALA C C 77 177.463 177.463 179.850 -2.387 19731 6928 1 7 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.271 -0.305 19731 6929 1 7 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.606 2.152 19731 6930 1 7 . 1 1 77 77 ALA H H 77 6.824 6.824 7.839 -1.015 19731 6931 1 7 . 1 1 78 78 ILE N N 78 115.422 115.422 118.433 -3.011 19731 6932 1 7 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.677 -0.555 19731 6933 1 7 . 1 1 78 78 ILE C C 78 177.163 177.163 177.865 -0.702 19731 6934 1 7 . 1 1 78 78 ILE CA C 78 65.846 65.846 65.025 0.821 19731 6935 1 7 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.593 1.561 19731 6936 1 7 . 1 1 78 78 ILE H H 78 7.124 7.124 8.345 -1.221 19731 6937 1 7 . 1 1 79 79 ALA N N 79 117.952 117.952 123.352 -5.400 19731 6938 1 7 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.919 0.017 19731 6939 1 7 . 1 1 79 79 ALA C C 79 179.329 179.329 179.281 0.048 19731 6940 1 7 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.288 -0.244 19731 6941 1 7 . 1 1 79 79 ALA CB C 79 18.410 18.410 18.081 0.329 19731 6942 1 7 . 1 1 79 79 ALA H H 79 8.644 8.644 8.342 0.302 19731 6943 1 7 . 1 1 80 80 ALA N N 80 118.796 118.796 121.371 -2.575 19731 6944 1 7 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.186 0.121 19731 6945 1 7 . 1 1 80 80 ALA C C 80 180.616 180.616 179.553 1.063 19731 6946 1 7 . 1 1 80 80 ALA CA C 80 55.592 55.592 55.117 0.475 19731 6947 1 7 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.542 0.181 19731 6948 1 7 . 1 1 80 80 ALA H H 80 7.442 7.442 8.067 -0.625 19731 6949 1 7 . 1 1 81 81 LEU N N 81 119.878 119.878 120.120 -0.242 19731 6950 1 7 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.975 -0.371 19731 6951 1 7 . 1 1 81 81 LEU C C 81 178.750 178.750 178.661 0.089 19731 6952 1 7 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.672 1.599 19731 6953 1 7 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.583 1.016 19731 6954 1 7 . 1 1 81 81 LEU H H 81 7.953 7.953 7.884 0.069 19731 6955 1 7 . 1 1 82 82 ALA N N 82 120.764 120.764 119.499 1.265 19731 6956 1 7 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.977 -0.094 19731 6957 1 7 . 1 1 82 82 ALA C C 82 180.273 180.273 179.469 0.804 19731 6958 1 7 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.805 1.335 19731 6959 1 7 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.136 -0.900 19731 6960 1 7 . 1 1 82 82 ALA H H 82 8.906 8.906 8.565 0.341 19731 6961 1 7 . 1 1 83 83 ASN N N 83 113.733 113.733 118.763 -5.030 19731 6962 1 7 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.604 -0.078 19731 6963 1 7 . 1 1 83 83 ASN C C 83 178.085 178.085 177.870 0.215 19731 6964 1 7 . 1 1 83 83 ASN CA C 83 55.827 55.827 55.725 0.102 19731 6965 1 7 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.727 -0.356 19731 6966 1 7 . 1 1 83 83 ASN H H 83 8.644 8.644 7.890 0.754 19731 6967 1 7 . 1 1 84 84 PHE N N 84 121.327 121.327 118.542 2.785 19731 6968 1 7 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.477 -0.416 19731 6969 1 7 . 1 1 84 84 PHE C C 84 177.164 177.164 176.865 0.299 19731 6970 1 7 . 1 1 84 84 PHE CA C 84 62.089 62.089 59.903 2.187 19731 6971 1 7 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.559 1.847 19731 6972 1 7 . 1 1 84 84 PHE H H 84 7.621 7.621 8.070 -0.449 19731 6973 1 7 . 1 1 85 85 TYR N N 85 112.890 112.890 117.350 -4.460 19731 6974 1 7 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.154 0.353 19731 6975 1 7 . 1 1 85 85 TYR C C 85 173.732 173.732 174.397 -0.665 19731 6976 1 7 . 1 1 85 85 TYR CA C 85 59.193 59.193 58.550 0.643 19731 6977 1 7 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.788 1.131 19731 6978 1 7 . 1 1 85 85 TYR H H 85 7.578 7.578 7.058 0.520 19731 6979 1 7 . 1 1 86 86 GLN N N 86 117.671 117.671 115.869 1.802 19731 6980 1 7 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.972 -0.029 19731 6981 1 7 . 1 1 86 86 GLN C C 86 174.675 174.675 175.086 -0.411 19731 6982 1 7 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.402 0.834 19731 6983 1 7 . 1 1 86 86 GLN CB C 86 25.846 25.846 25.693 0.153 19731 6984 1 7 . 1 1 86 86 GLN H H 86 7.691 7.691 7.308 0.383 19731 6985 1 7 . 1 1 87 87 ILE N N 87 122.171 122.171 119.748 2.423 19731 6986 1 7 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.309 -0.312 19731 6987 1 7 . 1 1 87 87 ILE C C 87 175.597 175.597 175.798 -0.201 19731 6988 1 7 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.371 2.248 19731 6989 1 7 . 1 1 87 87 ILE CB C 87 40.484 40.484 40.044 0.440 19731 6990 1 7 . 1 1 87 87 ILE H H 87 8.786 8.786 7.506 1.280 19731 6991 1 7 . 1 1 88 88 LYS N N 88 128.639 128.639 124.421 4.218 19731 6992 1 7 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.329 -0.408 19731 6993 1 7 . 1 1 88 88 LYS CA C 88 54.887 54.887 55.694 -0.807 19731 6994 1 7 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.716 -0.077 19731 6995 1 7 . 1 1 88 88 LYS H H 88 8.957 8.957 8.423 0.534 19731 6996 1 7 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.307 -0.287 19731 6997 1 7 . 1 1 89 89 PRO C C 89 176.542 176.542 178.480 -1.938 19731 6998 1 7 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.475 0.822 19731 6999 1 7 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.866 -0.163 19731 7000 1 7 . 1 1 90 90 GLU N N 90 111.202 111.202 117.746 -6.544 19731 7001 1 7 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.520 -0.212 19731 7002 1 7 . 1 1 90 90 GLU C C 90 176.241 176.241 177.467 -1.226 19731 7003 1 7 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.842 0.194 19731 7004 1 7 . 1 1 90 90 GLU CB C 90 28.508 28.508 29.145 -0.637 19731 7005 1 7 . 1 1 90 90 GLU H H 90 9.328 9.328 8.735 0.593 19731 7006 1 7 . 1 1 91 91 GLU N N 91 116.265 116.265 116.967 -0.702 19731 7007 1 7 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.385 0.547 19731 7008 1 7 . 1 1 91 91 GLU C C 91 175.254 175.254 174.909 0.345 19731 7009 1 7 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.464 -0.811 19731 7010 1 7 . 1 1 91 91 GLU CB C 91 30.856 30.856 30.312 0.544 19731 7011 1 7 . 1 1 91 91 GLU H H 91 8.101 8.101 7.651 0.450 19731 7012 1 7 . 1 1 92 92 ILE N N 92 122.683 122.683 121.142 1.541 19731 7013 1 7 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.463 -0.229 19731 7014 1 7 . 1 1 92 92 ILE C C 92 173.710 173.710 174.610 -0.900 19731 7015 1 7 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.343 1.494 19731 7016 1 7 . 1 1 92 92 ILE CB C 92 40.171 40.171 37.289 2.882 19731 7017 1 7 . 1 1 92 92 ILE H H 92 8.042 8.042 7.671 0.371 19731 7018 1 7 . 1 1 93 93 MET N N 93 125.264 125.264 126.313 -1.049 19731 7019 1 7 . 1 1 93 93 MET HA H 93 5.215 5.215 5.870 -0.655 19731 7020 1 7 . 1 1 93 93 MET C C 93 173.454 173.454 174.704 -1.250 19731 7021 1 7 . 1 1 93 93 MET CA C 93 53.322 53.322 54.200 -0.878 19731 7022 1 7 . 1 1 93 93 MET CB C 93 36.570 36.570 36.903 -0.333 19731 7023 1 7 . 1 1 93 93 MET H H 93 9.187 9.187 8.672 0.515 19731 7024 1 7 . 1 1 94 94 VAL N N 94 128.639 128.639 121.096 7.543 19731 7025 1 7 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.299 -0.701 19731 7026 1 7 . 1 1 94 94 VAL C C 94 174.675 174.675 173.249 1.426 19731 7027 1 7 . 1 1 94 94 VAL CA C 94 61.306 61.306 59.493 1.813 19731 7028 1 7 . 1 1 94 94 VAL CB C 94 33.518 33.518 36.175 -2.657 19731 7029 1 7 . 1 1 94 94 VAL H H 94 9.406 9.406 8.520 0.886 19731 7030 1 7 . 1 1 95 95 ALA N N 95 132.577 132.577 130.234 2.343 19731 7031 1 7 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.884 -0.149 19731 7032 1 7 . 1 1 95 95 ALA C C 95 175.640 175.640 175.576 0.064 19731 7033 1 7 . 1 1 95 95 ALA CA C 95 50.191 50.191 49.919 0.272 19731 7034 1 7 . 1 1 95 95 ALA CB C 95 20.210 20.210 22.150 -1.940 19731 7035 1 7 . 1 1 95 95 ALA H H 95 10.008 10.008 9.303 0.705 19731 7036 1 7 . 1 1 96 96 HIS N N 96 119.077 119.077 118.448 0.629 19731 7037 1 7 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.108 0.239 19731 7038 1 7 . 1 1 96 96 HIS C C 96 171.543 171.543 173.457 -1.914 19731 7039 1 7 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.993 -1.123 19731 7040 1 7 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.357 0.221 19731 7041 1 7 . 1 1 96 96 HIS H H 96 8.972 8.972 8.604 0.368 19731 7042 1 7 . 1 1 97 97 ASP N N 97 115.983 115.983 119.398 -3.415 19731 7043 1 7 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.542 0.153 19731 7044 1 7 . 1 1 97 97 ASP C C 97 178.064 178.064 175.201 2.863 19731 7045 1 7 . 1 1 97 97 ASP CA C 97 53.635 53.635 54.560 -0.925 19731 7046 1 7 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.943 -0.694 19731 7047 1 7 . 1 1 97 97 ASP H H 97 10.517 10.517 8.580 1.937 19731 7048 1 7 . 1 1 98 98 GLU N N 98 127.233 127.233 122.429 4.804 19731 7049 1 7 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.540 0.615 19731 7050 1 7 . 1 1 98 98 GLU C C 98 174.932 174.932 175.803 -0.871 19731 7051 1 7 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.223 -1.588 19731 7052 1 7 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.039 0.400 19731 7053 1 7 . 1 1 98 98 GLU H H 98 9.194 9.194 8.787 0.407 19731 7054 1 7 . 1 1 99 99 LEU N N 99 132.858 132.858 125.801 7.057 19731 7055 1 7 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.470 0.156 19731 7056 1 7 . 1 1 99 99 LEU C C 99 178.128 178.128 177.556 0.572 19731 7057 1 7 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.939 1.062 19731 7058 1 7 . 1 1 99 99 LEU CB C 99 44.555 44.555 42.042 2.513 19731 7059 1 7 . 1 1 99 99 LEU H H 99 8.692 8.692 8.827 -0.135 19731 7060 1 7 . 1 1 100 100 ASP N N 100 113.733 113.733 118.528 -4.795 19731 7061 1 7 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.643 -0.032 19731 7062 1 7 . 1 1 100 100 ASP C C 100 175.276 175.276 175.475 -0.199 19731 7063 1 7 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.033 -0.067 19731 7064 1 7 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.343 -0.467 19731 7065 1 7 . 1 1 100 100 ASP H H 100 9.191 9.191 8.480 0.711 19731 7066 1 7 . 1 1 101 101 LEU N N 101 119.932 119.932 120.666 -0.734 19731 7067 1 7 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.886 -0.085 19731 7068 1 7 . 1 1 101 101 LEU C C 101 172.522 172.522 174.404 -1.882 19731 7069 1 7 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.482 -0.117 19731 7070 1 7 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.815 0.523 19731 7071 1 7 . 1 1 101 101 LEU H H 101 7.427 7.427 7.315 0.112 19731 7072 1 7 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.566 -0.085 19731 7073 1 7 . 1 1 103 103 PRO C C 103 178.429 178.429 177.070 1.359 19731 7074 1 7 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.047 -0.126 19731 7075 1 7 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.253 0.169 19731 7076 1 7 . 1 1 104 104 GLY N N 104 113.733 113.733 111.498 2.235 19731 7077 1 7 . 1 1 104 104 GLY C C 104 172.144 172.144 173.022 -0.878 19731 7078 1 7 . 1 1 104 104 GLY CA C 104 45.964 45.964 44.968 0.996 19731 7079 1 7 . 1 1 104 104 GLY H H 104 9.826 9.826 8.366 1.460 19731 7080 1 7 . 1 1 105 105 VAL N N 105 116.265 116.265 117.414 -1.149 19731 7081 1 7 . 1 1 105 105 VAL HA H 105 4.704 4.704 4.973 -0.269 19731 7082 1 7 . 1 1 105 105 VAL C C 105 174.654 174.654 174.219 0.435 19731 7083 1 7 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.833 0.690 19731 7084 1 7 . 1 1 105 105 VAL CB C 105 34.927 34.927 33.772 1.155 19731 7085 1 7 . 1 1 105 105 VAL H H 105 7.518 7.518 7.236 0.282 19731 7086 1 7 . 1 1 106 106 ALA N N 106 129.764 129.764 124.858 4.906 19731 7087 1 7 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.748 -0.333 19731 7088 1 7 . 1 1 106 106 ALA C C 106 174.954 174.954 175.945 -0.991 19731 7089 1 7 . 1 1 106 106 ALA CA C 106 51.521 51.521 49.701 1.820 19731 7090 1 7 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.603 1.130 19731 7091 1 7 . 1 1 106 106 ALA H H 106 9.484 9.484 8.206 1.278 19731 7092 1 7 . 1 1 107 107 LYS N N 107 113.733 113.733 117.394 -3.661 19731 7093 1 7 . 1 1 107 107 LYS HA H 107 4.921 4.921 5.230 -0.309 19731 7094 1 7 . 1 1 107 107 LYS C C 107 176.262 176.262 174.875 1.387 19731 7095 1 7 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.827 -1.253 19731 7096 1 7 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.681 2.942 19731 7097 1 7 . 1 1 107 107 LYS H H 107 8.184 8.184 8.096 0.088 19731 7098 1 7 . 1 1 108 108 PHE N N 108 122.733 122.733 120.704 2.029 19731 7099 1 7 . 1 1 108 108 PHE HA H 108 6.021 6.021 5.434 0.587 19731 7100 1 7 . 1 1 108 108 PHE C C 108 177.828 177.828 174.983 2.845 19731 7101 1 7 . 1 1 108 108 PHE CA C 108 56.688 56.688 55.478 1.210 19731 7102 1 7 . 1 1 108 108 PHE CB C 108 42.128 42.128 40.975 1.153 19731 7103 1 7 . 1 1 108 108 PHE H H 108 11.610 11.610 8.755 2.855 19731 7104 1 7 . 1 1 109 109 LYS N N 109 122.733 122.733 121.717 1.016 19731 7105 1 7 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.182 0.421 19731 7106 1 7 . 1 1 109 109 LYS C C 109 173.152 173.152 174.563 -1.411 19731 7107 1 7 . 1 1 109 109 LYS CA C 109 56.218 56.218 54.770 1.448 19731 7108 1 7 . 1 1 109 109 LYS CB C 109 38.449 38.449 34.798 3.651 19731 7109 1 7 . 1 1 109 109 LYS H H 109 9.275 9.275 8.406 0.869 19731 7110 1 7 . 1 1 110 110 GLN N N 110 126.952 126.952 126.034 0.918 19731 7111 1 7 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.099 0.027 19731 7112 1 7 . 1 1 110 110 GLN C C 110 175.040 175.040 175.789 -0.749 19731 7113 1 7 . 1 1 110 110 GLN CA C 110 55.891 55.891 55.035 0.856 19731 7114 1 7 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.826 -1.379 19731 7115 1 7 . 1 1 110 110 GLN H H 110 8.910 8.910 8.393 0.517 19731 7116 1 7 . 1 1 111 111 GLY N N 111 113.910 113.910 115.176 -1.266 19731 7117 1 7 . 1 1 111 111 GLY C C 111 171.543 171.543 172.364 -0.821 19731 7118 1 7 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.613 0.020 19731 7119 1 7 . 1 1 111 111 GLY H H 111 7.170 7.170 7.778 -0.608 19731 7120 1 7 . 1 1 112 112 GLY N N 112 102.365 102.365 109.259 -6.894 19731 7121 1 7 . 1 1 112 112 GLY C C 112 174.954 174.954 173.827 1.127 19731 7122 1 7 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.861 -1.480 19731 7123 1 7 . 1 1 112 112 GLY H H 112 7.634 7.634 8.038 -0.404 19731 7124 1 7 . 1 1 113 113 GLY N N 113 104.247 104.247 109.143 -4.896 19731 7125 1 7 . 1 1 113 113 GLY C C 113 174.737 174.737 173.753 0.984 19731 7126 1 7 . 1 1 113 113 GLY CA C 113 44.405 44.405 45.095 -0.690 19731 7127 1 7 . 1 1 113 113 GLY H H 113 8.109 8.109 8.409 -0.300 19731 7128 1 7 . 1 1 114 114 HIS N N 114 114.133 114.133 117.987 -3.854 19731 7129 1 7 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.610 -0.089 19731 7130 1 7 . 1 1 114 114 HIS CA C 114 55.197 55.197 55.201 -0.004 19731 7131 1 7 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.418 1.241 19731 7132 1 7 . 1 1 114 114 HIS H H 114 7.472 7.472 7.959 -0.487 19731 7133 1 7 . 1 1 115 115 GLY N N 115 111.756 111.756 111.659 0.097 19731 7134 1 7 . 1 1 115 115 GLY C C 115 175.298 175.298 174.653 0.645 19731 7135 1 7 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.284 2.624 19731 7136 1 7 . 1 1 115 115 GLY H H 115 8.472 8.472 9.079 -0.607 19731 7137 1 7 . 1 1 116 116 GLY N N 116 112.890 112.890 108.135 4.755 19731 7138 1 7 . 1 1 116 116 GLY C C 116 174.010 174.010 173.476 0.534 19731 7139 1 7 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.870 -1.152 19731 7140 1 7 . 1 1 116 116 GLY H H 116 11.124 11.124 7.693 3.431 19731 7141 1 7 . 1 1 117 117 HIS N N 117 124.702 124.702 117.298 7.404 19731 7142 1 7 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.731 -0.197 19731 7143 1 7 . 1 1 117 117 HIS C C 117 177.485 177.485 174.532 2.953 19731 7144 1 7 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.713 2.439 19731 7145 1 7 . 1 1 117 117 HIS CB C 117 32.422 32.422 32.716 -0.294 19731 7146 1 7 . 1 1 117 117 HIS H H 117 8.275 8.275 7.926 0.349 19731 7147 1 7 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.332 0.021 19731 7148 1 7 . 1 1 118 118 ASN C C 118 178.751 178.751 176.887 1.864 19731 7149 1 7 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.096 0.514 19731 7150 1 7 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.129 0.085 19731 7151 1 7 . 1 1 119 119 GLY N N 119 112.608 112.608 108.518 4.090 19731 7152 1 7 . 1 1 119 119 GLY C C 119 177.163 177.163 175.869 1.294 19731 7153 1 7 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.130 0.243 19731 7154 1 7 . 1 1 119 119 GLY H H 119 9.608 9.608 8.552 1.056 19731 7155 1 7 . 1 1 120 120 LEU N N 120 125.827 125.827 122.620 3.207 19731 7156 1 7 . 1 1 120 120 LEU HA H 120 3.973 3.973 3.985 -0.012 19731 7157 1 7 . 1 1 120 120 LEU C C 120 178.729 178.729 178.844 -0.115 19731 7158 1 7 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.997 0.943 19731 7159 1 7 . 1 1 120 120 LEU CB C 120 42.833 42.833 41.888 0.945 19731 7160 1 7 . 1 1 120 120 LEU H H 120 8.199 8.199 7.544 0.655 19731 7161 1 7 . 1 1 121 121 LYS N N 121 119.921 119.921 120.345 -0.424 19731 7162 1 7 . 1 1 121 121 LYS HA H 121 3.681 3.681 3.900 -0.219 19731 7163 1 7 . 1 1 121 121 LYS C C 121 178.708 178.708 178.170 0.538 19731 7164 1 7 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.727 2.110 19731 7165 1 7 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.500 1.704 19731 7166 1 7 . 1 1 121 121 LYS H H 121 8.760 8.760 8.024 0.736 19731 7167 1 7 . 1 1 122 122 ASP N N 122 117.389 117.389 118.275 -0.886 19731 7168 1 7 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.369 0.181 19731 7169 1 7 . 1 1 122 122 ASP C C 122 178.107 178.107 178.126 -0.019 19731 7170 1 7 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.676 0.499 19731 7171 1 7 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.840 2.854 19731 7172 1 7 . 1 1 122 122 ASP H H 122 7.245 7.245 8.680 -1.435 19731 7173 1 7 . 1 1 123 123 THR N N 123 116.546 116.546 116.418 0.128 19731 7174 1 7 . 1 1 123 123 THR HA H 123 3.830 3.830 4.059 -0.229 19731 7175 1 7 . 1 1 123 123 THR C C 123 174.696 174.696 176.752 -2.056 19731 7176 1 7 . 1 1 123 123 THR CA C 123 69.447 69.447 66.892 2.555 19731 7177 1 7 . 1 1 123 123 THR CB C 123 67.803 67.803 68.454 -0.650 19731 7178 1 7 . 1 1 123 123 THR H H 123 7.639 7.639 7.432 0.207 19731 7179 1 7 . 1 1 124 124 ILE N N 124 118.736 118.736 121.373 -2.637 19731 7180 1 7 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.508 0.885 19731 7181 1 7 . 1 1 124 124 ILE C C 124 179.051 179.051 178.135 0.916 19731 7182 1 7 . 1 1 124 124 ILE CA C 124 65.453 65.453 65.073 0.381 19731 7183 1 7 . 1 1 124 124 ILE CB C 124 39.578 39.578 37.505 2.073 19731 7184 1 7 . 1 1 124 124 ILE H H 124 8.078 8.078 7.374 0.704 19731 7185 1 7 . 1 1 125 125 SER N N 125 110.921 110.921 115.709 -4.788 19731 7186 1 7 . 1 1 125 125 SER HA H 125 4.177 4.177 4.194 -0.017 19731 7187 1 7 . 1 1 125 125 SER C C 125 178.729 178.729 176.334 2.395 19731 7188 1 7 . 1 1 125 125 SER CA C 125 61.619 61.619 61.248 0.371 19731 7189 1 7 . 1 1 125 125 SER CB C 125 63.263 63.263 62.808 0.455 19731 7190 1 7 . 1 1 125 125 SER H H 125 7.397 7.397 8.106 -0.709 19731 7191 1 7 . 1 1 126 126 LYS N N 126 119.572 119.572 121.094 -1.522 19731 7192 1 7 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.114 0.133 19731 7193 1 7 . 1 1 126 126 LYS C C 126 178.407 178.407 178.836 -0.429 19731 7194 1 7 . 1 1 126 126 LYS CA C 126 58.019 58.019 58.675 -0.656 19731 7195 1 7 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.621 -0.747 19731 7196 1 7 . 1 1 126 126 LYS H H 126 8.457 8.457 8.006 0.451 19731 7197 1 7 . 1 1 127 127 LEU N N 127 119.633 119.633 115.873 3.760 19731 7198 1 7 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.362 0.203 19731 7199 1 7 . 1 1 127 127 LEU C C 127 176.542 176.542 176.978 -0.436 19731 7200 1 7 . 1 1 127 127 LEU CA C 127 54.291 54.291 55.091 -0.800 19731 7201 1 7 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.843 -2.392 19731 7202 1 7 . 1 1 127 127 LEU H H 127 7.753 7.753 7.551 0.202 19731 7203 1 7 . 1 1 128 128 GLY N N 128 107.827 107.827 106.900 0.927 19731 7204 1 7 . 1 1 128 128 GLY C C 128 179.094 179.094 174.817 4.277 19731 7205 1 7 . 1 1 128 128 GLY CA C 128 46.903 46.903 45.496 1.407 19731 7206 1 7 . 1 1 128 128 GLY H H 128 7.773 7.773 7.393 0.380 19731 7207 1 7 . 1 1 129 129 ASN N N 129 115.879 115.879 118.619 -2.740 19731 7208 1 7 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.476 -0.124 19731 7209 1 7 . 1 1 129 129 ASN C C 129 175.028 175.028 176.214 -1.186 19731 7210 1 7 . 1 1 129 129 ASN CA C 129 54.261 54.261 55.119 -0.858 19731 7211 1 7 . 1 1 129 129 ASN CB C 129 37.040 37.040 39.535 -2.495 19731 7212 1 7 . 1 1 129 129 ASN H H 129 8.246 8.246 8.056 0.190 19731 7213 1 7 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.634 0.060 19731 7214 1 7 . 1 1 131 131 LYS C C 131 178.450 178.450 174.799 3.651 19731 7215 1 7 . 1 1 131 131 LYS CA C 131 56.554 56.554 55.923 0.631 19731 7216 1 7 . 1 1 131 131 LYS CB C 131 33.204 33.204 33.053 0.151 19731 7217 1 7 . 1 1 132 132 GLU N N 132 119.297 119.297 120.815 -1.518 19731 7218 1 7 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.426 -0.553 19731 7219 1 7 . 1 1 132 132 GLU C C 132 175.318 175.318 175.298 0.020 19731 7220 1 7 . 1 1 132 132 GLU CA C 132 56.923 56.923 54.991 1.932 19731 7221 1 7 . 1 1 132 132 GLU CB C 132 27.803 27.803 30.429 -2.626 19731 7222 1 7 . 1 1 132 132 GLU H H 132 8.699 8.699 7.829 0.870 19731 7223 1 7 . 1 1 133 133 PHE N N 133 114.296 114.296 116.859 -2.563 19731 7224 1 7 . 1 1 133 133 PHE HA H 133 5.067 5.067 5.104 -0.037 19731 7225 1 7 . 1 1 133 133 PHE C C 133 177.785 177.785 173.533 4.252 19731 7226 1 7 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.006 0.195 19731 7227 1 7 . 1 1 133 133 PHE CB C 133 40.249 40.249 40.786 -0.537 19731 7228 1 7 . 1 1 133 133 PHE H H 133 6.669 6.669 7.457 -0.788 19731 7229 1 7 . 1 1 134 134 TYR N N 134 121.046 121.046 121.464 -0.418 19731 7230 1 7 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.336 -0.363 19731 7231 1 7 . 1 1 134 134 TYR C C 134 176.219 176.219 175.387 0.832 19731 7232 1 7 . 1 1 134 134 TYR CA C 134 59.506 59.506 56.877 2.629 19731 7233 1 7 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.845 0.813 19731 7234 1 7 . 1 1 134 134 TYR H H 134 9.230 9.230 8.329 0.901 19731 7235 1 7 . 1 1 135 135 ARG N N 135 119.639 119.639 122.882 -3.243 19731 7236 1 7 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.385 0.523 19731 7237 1 7 . 1 1 135 135 ARG C C 135 174.353 174.353 174.126 0.227 19731 7238 1 7 . 1 1 135 135 ARG CA C 135 54.758 54.758 54.709 0.049 19731 7239 1 7 . 1 1 135 135 ARG CB C 135 32.187 32.187 34.496 -2.309 19731 7240 1 7 . 1 1 135 135 ARG H H 135 9.896 9.896 9.064 0.832 19731 7241 1 7 . 1 1 136 136 LEU N N 136 126.108 126.108 121.419 4.689 19731 7242 1 7 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.499 -0.641 19731 7243 1 7 . 1 1 136 136 LEU C C 136 173.131 173.131 175.934 -2.803 19731 7244 1 7 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.729 1.002 19731 7245 1 7 . 1 1 136 136 LEU CB C 136 42.989 42.989 44.495 -1.506 19731 7246 1 7 . 1 1 136 136 LEU H H 136 8.601 8.601 8.622 -0.021 19731 7247 1 7 . 1 1 137 137 ARG N N 137 124.421 124.421 120.503 3.918 19731 7248 1 7 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.334 -1.794 19731 7249 1 7 . 1 1 137 137 ARG C C 137 174.010 174.010 175.171 -1.161 19731 7250 1 7 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.585 0.899 19731 7251 1 7 . 1 1 137 137 ARG CB C 137 32.265 32.265 33.278 -1.013 19731 7252 1 7 . 1 1 137 137 ARG H H 137 9.230 9.230 9.255 -0.025 19731 7253 1 7 . 1 1 138 138 LEU N N 138 125.827 125.827 123.963 1.864 19731 7254 1 7 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.733 -0.284 19731 7255 1 7 . 1 1 138 138 LEU C C 138 175.940 175.940 176.759 -0.819 19731 7256 1 7 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.491 0.379 19731 7257 1 7 . 1 1 138 138 LEU CB C 138 41.580 41.580 42.800 -1.220 19731 7258 1 7 . 1 1 138 138 LEU H H 138 8.640 8.640 8.868 -0.228 19731 7259 1 7 . 1 1 139 139 GLY N N 139 113.171 113.171 112.267 0.904 19731 7260 1 7 . 1 1 139 139 GLY C C 139 174.353 174.353 174.713 -0.360 19731 7261 1 7 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.575 3.207 19731 7262 1 7 . 1 1 139 139 GLY H H 139 8.578 8.578 9.289 -0.711 19731 7263 1 7 . 1 1 140 140 ILE N N 140 112.046 112.046 120.394 -8.348 19731 7264 1 7 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.503 0.258 19731 7265 1 7 . 1 1 140 140 ILE C C 140 178.707 178.707 174.358 4.349 19731 7266 1 7 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.850 0.987 19731 7267 1 7 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.827 3.223 19731 7268 1 7 . 1 1 140 140 ILE H H 140 8.125 8.125 8.230 -0.105 19731 7269 1 7 . 1 1 141 141 GLY N N 141 116.265 116.265 109.103 7.162 19731 7270 1 7 . 1 1 141 141 GLY C C 141 167.232 167.232 172.802 -5.570 19731 7271 1 7 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.083 1.333 19731 7272 1 7 . 1 1 141 141 GLY H H 141 9.411 9.411 7.798 1.613 19731 7273 1 7 . 1 1 142 142 HIS N N 142 113.452 113.452 121.704 -8.252 19731 7274 1 7 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.746 -0.381 19731 7275 1 7 . 1 1 142 142 HIS C C 142 175.640 175.640 172.409 3.231 19731 7276 1 7 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.768 1.319 19731 7277 1 7 . 1 1 142 142 HIS CB C 142 34.613 34.613 29.799 4.814 19731 7278 1 7 . 1 1 142 142 HIS H H 142 7.578 7.578 7.366 0.212 19731 7279 1 7 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.093 0.530 19731 7280 1 7 . 1 1 143 143 PRO C C 143 176.842 176.842 176.504 0.338 19731 7281 1 7 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.759 -0.837 19731 7282 1 7 . 1 1 143 143 PRO CB C 143 32.828 32.828 31.759 1.069 19731 7283 1 7 . 1 1 144 144 GLY N N 144 106.468 106.468 110.480 -4.012 19731 7284 1 7 . 1 1 144 144 GLY C C 144 173.411 173.411 172.982 0.429 19731 7285 1 7 . 1 1 144 144 GLY CA C 144 45.221 45.221 44.674 0.547 19731 7286 1 7 . 1 1 144 144 GLY H H 144 8.133 8.133 8.265 -0.132 19731 7287 1 7 . 1 1 145 145 HIS N N 145 117.271 117.271 120.851 -3.580 19731 7288 1 7 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.639 -0.105 19731 7289 1 7 . 1 1 145 145 HIS C C 145 176.636 176.636 177.063 -0.427 19731 7290 1 7 . 1 1 145 145 HIS CA C 145 57.079 57.079 56.051 1.028 19731 7291 1 7 . 1 1 145 145 HIS CB C 145 34.144 34.144 30.888 3.256 19731 7292 1 7 . 1 1 145 145 HIS H H 145 7.067 7.067 8.551 -1.484 19731 7293 1 7 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.079 0.163 19731 7294 1 7 . 1 1 146 146 LYS C C 146 178.429 178.429 177.783 0.646 19731 7295 1 7 . 1 1 146 146 LYS CA C 146 59.547 59.547 58.983 0.564 19731 7296 1 7 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.310 -0.044 19731 7297 1 7 . 1 1 147 147 ASP N N 147 122.171 122.171 119.724 2.447 19731 7298 1 7 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.564 0.073 19731 7299 1 7 . 1 1 147 147 ASP C C 147 177.442 177.442 177.143 0.299 19731 7300 1 7 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.473 -0.333 19731 7301 1 7 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.791 -0.698 19731 7302 1 7 . 1 1 147 147 ASP H H 147 10.805 10.805 8.915 1.890 19731 7303 1 7 . 1 1 148 148 LYS N N 148 116.546 116.546 118.349 -1.803 19731 7304 1 7 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.619 -0.105 19731 7305 1 7 . 1 1 148 148 LYS C C 148 177.163 177.163 177.277 -0.114 19731 7306 1 7 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.121 1.706 19731 7307 1 7 . 1 1 148 148 LYS CB C 148 34.613 34.613 32.280 2.333 19731 7308 1 7 . 1 1 148 148 LYS H H 148 7.775 7.775 7.955 -0.180 19731 7309 1 7 . 1 1 149 149 VAL N N 149 121.046 121.046 122.369 -1.323 19731 7310 1 7 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.524 -0.279 19731 7311 1 7 . 1 1 149 149 VAL C C 149 176.241 176.241 175.918 0.323 19731 7312 1 7 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.361 2.834 19731 7313 1 7 . 1 1 149 149 VAL CB C 149 32.109 32.109 32.035 0.074 19731 7314 1 7 . 1 1 149 149 VAL H H 149 7.366 7.366 7.492 -0.126 19731 7315 1 7 . 1 1 150 150 ALA N N 150 121.889 121.889 119.699 2.190 19731 7316 1 7 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.923 0.126 19731 7317 1 7 . 1 1 150 150 ALA C C 150 180.016 180.016 179.343 0.673 19731 7318 1 7 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.100 1.727 19731 7319 1 7 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.812 -0.185 19731 7320 1 7 . 1 1 150 150 ALA H H 150 8.675 8.675 8.141 0.534 19731 7321 1 7 . 1 1 151 151 GLY N N 151 102.202 102.202 107.083 -4.881 19731 7322 1 7 . 1 1 151 151 GLY C C 151 175.919 175.919 175.181 0.738 19731 7323 1 7 . 1 1 151 151 GLY CA C 151 45.964 45.964 47.213 -1.249 19731 7324 1 7 . 1 1 151 151 GLY H H 151 8.366 8.366 7.825 0.541 19731 7325 1 7 . 1 1 152 152 TYR N N 152 123.296 123.296 118.312 4.984 19731 7326 1 7 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.442 -0.211 19731 7327 1 7 . 1 1 152 152 TYR C C 152 179.694 179.694 177.215 2.479 19731 7328 1 7 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.478 2.907 19731 7329 1 7 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.347 3.137 19731 7330 1 7 . 1 1 152 152 TYR H H 152 7.942 7.942 7.065 0.877 19731 7331 1 7 . 1 1 153 153 VAL N N 153 112.890 112.890 119.832 -6.942 19731 7332 1 7 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.621 0.407 19731 7333 1 7 . 1 1 153 153 VAL C C 153 175.620 175.620 176.376 -0.756 19731 7334 1 7 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.710 -0.568 19731 7335 1 7 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.039 -0.948 19731 7336 1 7 . 1 1 153 153 VAL H H 153 8.618 8.618 6.849 1.769 19731 7337 1 7 . 1 1 154 154 LEU N N 154 117.108 117.108 111.969 5.139 19731 7338 1 7 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.490 0.227 19731 7339 1 7 . 1 1 154 154 LEU C C 154 175.297 175.297 176.130 -0.833 19731 7340 1 7 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.425 0.523 19731 7341 1 7 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.436 -0.795 19731 7342 1 7 . 1 1 154 154 LEU H H 154 6.897 6.897 7.629 -0.732 19731 7343 1 7 . 1 1 155 155 GLY N N 155 107.827 107.827 108.189 -0.362 19731 7344 1 7 . 1 1 155 155 GLY C C 155 171.844 171.844 173.963 -2.119 19731 7345 1 7 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.762 -0.147 19731 7346 1 7 . 1 1 155 155 GLY H H 155 7.351 7.351 7.411 -0.060 19731 7347 1 7 . 1 1 156 156 LYS N N 156 118.233 118.233 120.667 -2.434 19731 7348 1 7 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.402 0.254 19731 7349 1 7 . 1 1 156 156 LYS C C 156 176.541 176.541 176.696 -0.155 19731 7350 1 7 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.462 -0.575 19731 7351 1 7 . 1 1 156 156 LYS CB C 156 33.518 33.518 31.733 1.785 19731 7352 1 7 . 1 1 156 156 LYS H H 156 8.154 8.154 8.439 -0.285 19731 7353 1 7 . 1 1 157 157 ALA N N 157 130.608 130.608 129.881 0.727 19731 7354 1 7 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.428 -0.034 19731 7355 1 7 . 1 1 157 157 ALA C C 157 175.876 175.876 175.866 0.010 19731 7356 1 7 . 1 1 157 157 ALA CA C 157 50.895 50.895 50.283 0.612 19731 7357 1 7 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.418 -0.634 19731 7358 1 7 . 1 1 157 157 ALA H H 157 9.777 9.777 7.947 1.830 19731 7359 1 7 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.440 0.076 19731 7360 1 7 . 1 1 158 158 PRO C C 158 176.532 176.532 177.162 -0.630 19731 7361 1 7 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.346 -0.179 19731 7362 1 7 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.224 0.119 19731 7363 1 7 . 1 1 159 159 ALA N N 159 123.733 123.733 124.223 -0.490 19731 7364 1 7 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.040 0.003 19731 7365 1 7 . 1 1 159 159 ALA C C 159 179.706 179.706 179.286 0.420 19731 7366 1 7 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.547 1.220 19731 7367 1 7 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.333 0.546 19731 7368 1 7 . 1 1 159 159 ALA H H 159 8.575 8.575 8.540 0.035 19731 7369 1 7 . 1 1 160 160 LYS N N 160 116.796 116.796 115.971 0.825 19731 7370 1 7 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.050 0.107 19731 7371 1 7 . 1 1 160 160 LYS C C 160 179.115 179.115 177.981 1.134 19731 7372 1 7 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.757 0.201 19731 7373 1 7 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.862 -0.301 19731 7374 1 7 . 1 1 160 160 LYS H H 160 8.883 8.883 8.381 0.502 19731 7375 1 7 . 1 1 161 161 GLU N N 161 118.514 118.514 119.159 -0.645 19731 7376 1 7 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.211 -0.097 19731 7377 1 7 . 1 1 161 161 GLU C C 161 178.707 178.707 179.433 -0.726 19731 7378 1 7 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.175 1.175 19731 7379 1 7 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.936 1.311 19731 7380 1 7 . 1 1 161 161 GLU H H 161 6.988 6.988 7.598 -0.610 19731 7381 1 7 . 1 1 162 162 GLN N N 162 120.202 120.202 118.821 1.381 19731 7382 1 7 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.073 -0.373 19731 7383 1 7 . 1 1 162 162 GLN C C 162 177.184 177.184 178.256 -1.072 19731 7384 1 7 . 1 1 162 162 GLN CA C 162 58.019 58.019 57.668 0.351 19731 7385 1 7 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.270 0.003 19731 7386 1 7 . 1 1 162 162 GLN H H 162 8.988 8.988 8.404 0.584 19731 7387 1 7 . 1 1 163 163 GLU N N 163 117.952 117.952 119.866 -1.914 19731 7388 1 7 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.204 -0.064 19731 7389 1 7 . 1 1 163 163 GLU C C 163 180.273 180.273 178.517 1.756 19731 7390 1 7 . 1 1 163 163 GLU CA C 163 59.897 59.897 58.955 0.942 19731 7391 1 7 . 1 1 163 163 GLU CB C 163 29.760 29.760 28.400 1.360 19731 7392 1 7 . 1 1 163 163 GLU H H 163 8.063 8.063 8.594 -0.531 19731 7393 1 7 . 1 1 164 164 CYS N N 164 118.796 118.796 117.016 1.780 19731 7394 1 7 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.310 -0.170 19731 7395 1 7 . 1 1 164 164 CYS C C 164 176.562 176.562 176.405 0.157 19731 7396 1 7 . 1 1 164 164 CYS CA C 164 63.420 63.420 61.183 2.237 19731 7397 1 7 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.373 -0.058 19731 7398 1 7 . 1 1 164 164 CYS H H 164 7.306 7.306 7.684 -0.378 19731 7399 1 7 . 1 1 165 165 LEU N N 165 121.327 121.327 123.818 -2.491 19731 7400 1 7 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.076 0.221 19731 7401 1 7 . 1 1 165 165 LEU C C 165 179.029 179.029 177.838 1.191 19731 7402 1 7 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.007 0.403 19731 7403 1 7 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.733 0.551 19731 7404 1 7 . 1 1 165 165 LEU H H 165 8.357 8.357 7.791 0.566 19731 7405 1 7 . 1 1 166 166 ASP N N 166 119.358 119.358 119.474 -0.116 19731 7406 1 7 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.445 -0.214 19731 7407 1 7 . 1 1 166 166 ASP C C 166 179.029 179.029 178.563 0.466 19731 7408 1 7 . 1 1 166 166 ASP CA C 166 57.392 57.392 58.448 -1.056 19731 7409 1 7 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.748 -1.046 19731 7410 1 7 . 1 1 166 166 ASP H H 166 9.169 9.169 8.311 0.858 19731 7411 1 7 . 1 1 167 167 ALA N N 167 122.171 122.171 122.208 -0.037 19731 7412 1 7 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.272 0.050 19731 7413 1 7 . 1 1 167 167 ALA C C 167 180.616 180.616 179.591 1.025 19731 7414 1 7 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.292 -0.326 19731 7415 1 7 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.277 0.211 19731 7416 1 7 . 1 1 167 167 ALA H H 167 7.745 7.745 7.748 -0.003 19731 7417 1 7 . 1 1 168 168 ALA N N 168 122.452 122.452 121.832 0.620 19731 7418 1 7 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.300 -0.236 19731 7419 1 7 . 1 1 168 168 ALA C C 168 180.917 180.917 180.135 0.782 19731 7420 1 7 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.930 0.505 19731 7421 1 7 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.481 -0.776 19731 7422 1 7 . 1 1 168 168 ALA H H 168 8.164 8.164 7.742 0.422 19731 7423 1 7 . 1 1 169 169 VAL N N 169 124.702 124.702 119.360 5.342 19731 7424 1 7 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.668 -0.226 19731 7425 1 7 . 1 1 169 169 VAL C C 169 177.442 177.442 177.987 -0.545 19731 7426 1 7 . 1 1 169 169 VAL CA C 169 67.725 67.725 67.976 -0.251 19731 7427 1 7 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.902 -0.263 19731 7428 1 7 . 1 1 169 169 VAL H H 169 9.052 9.052 8.428 0.624 19731 7429 1 7 . 1 1 170 170 ASP N N 170 119.358 119.358 118.924 0.434 19731 7430 1 7 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.375 -0.140 19731 7431 1 7 . 1 1 170 170 ASP C C 170 178.750 178.750 178.563 0.187 19731 7432 1 7 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.717 0.145 19731 7433 1 7 . 1 1 170 170 ASP CB C 170 40.719 40.719 41.017 -0.298 19731 7434 1 7 . 1 1 170 170 ASP H H 170 8.139 8.139 8.318 -0.179 19731 7435 1 7 . 1 1 171 171 GLU N N 171 119.639 119.639 119.724 -0.085 19731 7436 1 7 . 1 1 171 171 GLU HA H 171 4.142 4.142 4.050 0.092 19731 7437 1 7 . 1 1 171 171 GLU C C 171 179.050 179.050 178.840 0.210 19731 7438 1 7 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.864 -0.689 19731 7439 1 7 . 1 1 171 171 GLU CB C 171 28.116 28.116 29.410 -1.294 19731 7440 1 7 . 1 1 171 171 GLU H H 171 7.821 7.821 7.940 -0.119 19731 7441 1 7 . 1 1 172 172 SER N N 172 119.251 119.251 115.995 3.256 19731 7442 1 7 . 1 1 172 172 SER HA H 172 3.818 3.818 4.268 -0.450 19731 7443 1 7 . 1 1 172 172 SER C C 172 175.919 175.919 177.082 -1.163 19731 7444 1 7 . 1 1 172 172 SER CA C 172 64.594 64.594 62.400 2.194 19731 7445 1 7 . 1 1 172 172 SER CB C 172 62.794 62.794 63.145 -0.351 19731 7446 1 7 . 1 1 172 172 SER H H 172 8.457 8.457 8.445 0.012 19731 7447 1 7 . 1 1 173 173 VAL N N 173 121.889 121.889 118.326 3.563 19731 7448 1 7 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.967 -0.505 19731 7449 1 7 . 1 1 173 173 VAL C C 173 178.407 178.407 176.571 1.836 19731 7450 1 7 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.063 2.740 19731 7451 1 7 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.275 0.129 19731 7452 1 7 . 1 1 173 173 VAL H H 173 8.316 8.316 8.122 0.194 19731 7453 1 7 . 1 1 174 174 ARG N N 174 118.796 118.796 119.999 -1.203 19731 7454 1 7 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.178 -0.046 19731 7455 1 7 . 1 1 174 174 ARG C C 174 180.938 180.938 178.279 2.659 19731 7456 1 7 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.968 0.538 19731 7457 1 7 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.752 0.321 19731 7458 1 7 . 1 1 174 174 ARG H H 174 7.669 7.669 7.831 -0.162 19731 7459 1 7 . 1 1 175 175 CYS N N 175 117.070 117.070 117.657 -0.587 19731 7460 1 7 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.247 0.080 19731 7461 1 7 . 1 1 175 175 CYS C C 175 176.541 176.541 176.250 0.291 19731 7462 1 7 . 1 1 175 175 CYS CA C 175 64.437 64.437 60.388 4.049 19731 7463 1 7 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.846 0.409 19731 7464 1 7 . 1 1 175 175 CYS H H 175 8.649 8.649 8.219 0.430 19731 7465 1 7 . 1 1 176 176 LEU N N 176 125.264 125.264 121.071 4.193 19731 7466 1 7 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.972 0.108 19731 7467 1 7 . 1 1 176 176 LEU C C 176 178.450 178.450 179.177 -0.727 19731 7468 1 7 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.609 0.253 19731 7469 1 7 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.296 0.597 19731 7470 1 7 . 1 1 176 176 LEU H H 176 8.699 8.699 7.450 1.249 19731 7471 1 7 . 1 1 177 177 GLU N N 177 118.260 118.260 119.176 -0.916 19731 7472 1 7 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.048 -0.287 19731 7473 1 7 . 1 1 177 177 GLU C C 177 179.029 179.029 178.684 0.345 19731 7474 1 7 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.015 1.508 19731 7475 1 7 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.776 -0.564 19731 7476 1 7 . 1 1 177 177 GLU H H 177 7.533 7.533 7.562 -0.029 19731 7477 1 7 . 1 1 178 178 ILE N N 178 118.788 118.788 119.815 -1.027 19731 7478 1 7 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.865 -0.188 19731 7479 1 7 . 1 1 178 178 ILE C C 178 177.785 177.785 177.836 -0.051 19731 7480 1 7 . 1 1 178 178 ILE CA C 178 65.142 65.142 62.778 2.364 19731 7481 1 7 . 1 1 178 178 ILE CB C 178 38.527 38.527 37.068 1.459 19731 7482 1 7 . 1 1 178 178 ILE H H 178 7.384 7.384 7.265 0.119 19731 7483 1 7 . 1 1 179 179 LEU N N 179 123.577 123.577 121.873 1.704 19731 7484 1 7 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.200 -0.500 19731 7485 1 7 . 1 1 179 179 LEU C C 179 178.129 178.129 179.426 -1.297 19731 7486 1 7 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.115 0.530 19731 7487 1 7 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.084 -0.191 19731 7488 1 7 . 1 1 179 179 LEU H H 179 8.503 8.503 8.404 0.099 19731 7489 1 7 . 1 1 180 180 MET N N 180 113.171 113.171 114.646 -1.475 19731 7490 1 7 . 1 1 180 180 MET HA H 180 4.186 4.186 4.187 -0.001 19731 7491 1 7 . 1 1 180 180 MET C C 180 176.498 176.498 176.986 -0.488 19731 7492 1 7 . 1 1 180 180 MET CA C 180 55.905 55.905 58.758 -2.853 19731 7493 1 7 . 1 1 180 180 MET CB C 180 31.013 31.013 32.622 -1.609 19731 7494 1 7 . 1 1 180 180 MET H H 180 7.139 7.139 7.462 -0.323 19731 7495 1 7 . 1 1 181 181 LYS N N 181 117.952 117.952 115.606 2.346 19731 7496 1 7 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.336 -0.063 19731 7497 1 7 . 1 1 181 181 LYS C C 181 176.542 176.542 177.535 -0.993 19731 7498 1 7 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.642 1.081 19731 7499 1 7 . 1 1 181 181 LYS CB C 181 34.927 34.927 32.542 2.385 19731 7500 1 7 . 1 1 181 181 LYS H H 181 7.665 7.665 7.414 0.251 19731 7501 1 7 . 1 1 182 182 ASP N N 182 116.827 116.827 118.635 -1.808 19731 7502 1 7 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.761 0.159 19731 7503 1 7 . 1 1 182 182 ASP C C 182 177.485 177.485 175.331 2.154 19731 7504 1 7 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.967 0.920 19731 7505 1 7 . 1 1 182 182 ASP CB C 182 44.790 44.790 42.940 1.850 19731 7506 1 7 . 1 1 182 182 ASP H H 182 9.191 9.191 8.163 1.028 19731 7507 1 7 . 1 1 183 183 GLY N N 183 110.358 110.358 106.945 3.413 19731 7508 1 7 . 1 1 183 183 GLY C C 183 173.410 173.410 174.389 -0.979 19731 7509 1 7 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.311 0.330 19731 7510 1 7 . 1 1 183 183 GLY H H 183 7.745 7.745 7.303 0.442 19731 7511 1 7 . 1 1 184 184 LEU N N 184 118.796 118.796 119.920 -1.124 19731 7512 1 7 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.054 -0.354 19731 7513 1 7 . 1 1 184 184 LEU C C 184 177.506 177.506 177.621 -0.115 19731 7514 1 7 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.364 1.046 19731 7515 1 7 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.396 0.810 19731 7516 1 7 . 1 1 184 184 LEU H H 184 8.381 8.381 8.386 -0.005 19731 7517 1 7 . 1 1 185 185 THR N N 185 115.421 115.421 109.717 5.704 19731 7518 1 7 . 1 1 185 185 THR HA H 185 3.819 3.819 3.973 -0.154 19731 7519 1 7 . 1 1 185 185 THR C C 185 176.520 176.520 176.178 0.342 19731 7520 1 7 . 1 1 185 185 THR CA C 185 67.021 67.021 64.882 2.139 19731 7521 1 7 . 1 1 185 185 THR CB C 185 68.351 68.351 67.893 0.458 19731 7522 1 7 . 1 1 185 185 THR H H 185 8.336 8.336 8.281 0.055 19731 7523 1 7 . 1 1 186 186 LYS N N 186 120.202 120.202 122.847 -2.645 19731 7524 1 7 . 1 1 186 186 LYS HA H 186 3.958 3.958 3.994 -0.036 19731 7525 1 7 . 1 1 186 186 LYS C C 186 179.329 179.329 177.395 1.934 19731 7526 1 7 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.400 1.147 19731 7527 1 7 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.782 0.561 19731 7528 1 7 . 1 1 186 186 LYS H H 186 8.237 8.237 7.652 0.585 19731 7529 1 7 . 1 1 187 187 ALA N N 187 121.889 121.889 119.452 2.437 19731 7530 1 7 . 1 1 187 187 ALA HA H 187 3.913 3.913 3.975 -0.062 19731 7531 1 7 . 1 1 187 187 ALA C C 187 178.772 178.772 179.541 -0.769 19731 7532 1 7 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.073 0.832 19731 7533 1 7 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.448 1.136 19731 7534 1 7 . 1 1 187 187 ALA H H 187 7.566 7.566 7.409 0.157 19731 7535 1 7 . 1 1 188 188 GLN N N 188 117.952 117.952 119.135 -1.183 19731 7536 1 7 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.875 -0.066 19731 7537 1 7 . 1 1 188 188 GLN C C 188 176.863 176.863 177.782 -0.919 19731 7538 1 7 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.463 0.573 19731 7539 1 7 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.163 0.893 19731 7540 1 7 . 1 1 188 188 GLN H H 188 9.125 9.125 8.017 1.108 19731 7541 1 7 . 1 1 189 189 ASN N N 189 117.100 117.100 115.280 1.820 19731 7542 1 7 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.286 0.140 19731 7543 1 7 . 1 1 189 189 ASN C C 189 177.463 177.463 176.643 0.820 19731 7544 1 7 . 1 1 189 189 ASN CA C 189 55.670 55.670 55.699 -0.029 19731 7545 1 7 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.599 -0.620 19731 7546 1 7 . 1 1 189 189 ASN H H 189 8.275 8.275 7.860 0.415 19731 7547 1 7 . 1 1 190 190 ARG N N 190 117.389 117.389 119.298 -1.909 19731 7548 1 7 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.280 0.215 19731 7549 1 7 . 1 1 190 190 ARG C C 190 178.428 178.428 178.638 -0.210 19731 7550 1 7 . 1 1 190 190 ARG CA C 190 59.036 59.036 56.478 2.558 19731 7551 1 7 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.916 -0.156 19731 7552 1 7 . 1 1 190 190 ARG H H 190 7.230 7.230 7.528 -0.298 19731 7553 1 7 . 1 1 191 191 LEU N N 191 122.155 122.155 122.856 -0.701 19731 7554 1 7 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.085 0.055 19731 7555 1 7 . 1 1 191 191 LEU C C 191 179.373 179.373 178.388 0.985 19731 7556 1 7 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.413 0.232 19731 7557 1 7 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.464 0.038 19731 7558 1 7 . 1 1 191 191 LEU H H 191 8.624 8.624 8.674 -0.050 19731 7559 1 7 . 1 1 192 192 HIS N N 192 113.452 113.452 112.114 1.338 19731 7560 1 7 . 1 1 192 192 HIS HA H 192 5.091 5.091 5.168 -0.077 19731 7561 1 7 . 1 1 192 192 HIS C C 192 177.163 177.163 175.941 1.222 19731 7562 1 7 . 1 1 192 192 HIS CA C 192 57.001 57.001 55.810 1.191 19731 7563 1 7 . 1 1 192 192 HIS CB C 192 28.351 28.351 28.822 -0.471 19731 7564 1 7 . 1 1 192 192 HIS H H 192 9.017 9.017 7.761 1.256 19731 7565 1 7 . 1 1 193 193 THR N N 193 110.077 110.077 114.311 -4.234 19731 7566 1 7 . 1 1 193 193 THR HA H 193 4.499 4.499 4.523 -0.024 19731 7567 1 7 . 1 1 193 193 THR C C 193 174.053 174.053 173.821 0.232 19731 7568 1 7 . 1 1 193 193 THR CA C 193 62.011 62.011 62.909 -0.898 19731 7569 1 7 . 1 1 193 193 THR CB C 193 69.995 69.995 70.544 -0.549 19731 7570 1 7 . 1 1 193 193 THR H H 193 7.632 7.632 7.777 -0.145 19731 7571 1 7 . 1 1 194 194 PHE N N 194 124.702 124.702 125.956 -1.254 19731 7572 1 7 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.578 -0.129 19731 7573 1 7 . 1 1 194 194 PHE C C 194 175.640 175.640 173.240 2.400 19731 7574 1 7 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.261 2.010 19731 7575 1 7 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.108 -0.250 19731 7576 1 7 . 1 1 194 194 PHE H H 194 7.722 7.722 7.864 -0.142 19731 7577 1 7 . 1 1 195 195 LYS N N 195 128.639 128.639 126.307 2.332 19731 7578 1 7 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.336 -0.141 19731 7579 1 7 . 1 1 195 195 LYS C C 195 174.032 174.032 174.314 -0.282 19731 7580 1 7 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.862 2.591 19731 7581 1 7 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.154 -0.227 19731 7582 1 7 . 1 1 195 195 LYS H H 195 7.615 7.615 7.659 -0.044 19731 7583 1 7 . 1 1 196 196 ALA N N 196 129.483 129.483 125.922 3.561 19731 7584 1 7 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.285 -0.006 19731 7585 1 7 . 1 1 196 196 ALA C C 196 175.619 175.619 177.145 -1.526 19731 7586 1 7 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.009 0.139 19731 7587 1 7 . 1 1 196 196 ALA CB C 196 20.602 20.602 17.511 3.091 19731 7588 1 7 . 1 1 196 196 ALA H H 196 8.324 8.324 8.461 -0.137 19731 7589 1 8 . 1 1 2 2 VAL N N 2 122.420 122.420 117.426 4.994 19731 7590 1 8 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.502 -0.335 19731 7591 1 8 . 1 1 2 2 VAL C C 2 175.919 175.919 175.284 0.635 19731 7592 1 8 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.941 0.227 19731 7593 1 8 . 1 1 2 2 VAL CB C 2 33.109 33.109 31.390 1.719 19731 7594 1 8 . 1 1 2 2 VAL H H 2 8.260 8.260 7.813 0.447 19731 7595 1 8 . 1 1 3 3 SER N N 3 119.915 119.915 122.816 -2.901 19731 7596 1 8 . 1 1 3 3 SER HA H 3 4.134 4.134 4.371 -0.237 19731 7597 1 8 . 1 1 3 3 SER C C 3 173.731 173.731 174.788 -1.057 19731 7598 1 8 . 1 1 3 3 SER CA C 3 58.253 58.253 59.122 -0.869 19731 7599 1 8 . 1 1 3 3 SER CB C 3 63.811 63.811 63.710 0.101 19731 7600 1 8 . 1 1 3 3 SER H H 3 8.381 8.381 8.944 -0.563 19731 7601 1 8 . 1 1 4 4 GLN N N 4 123.810 123.810 121.368 2.442 19731 7602 1 8 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.742 -0.273 19731 7603 1 8 . 1 1 4 4 GLN C C 4 174.067 174.067 173.416 0.651 19731 7604 1 8 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.626 -0.148 19731 7605 1 8 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.758 -0.364 19731 7606 1 8 . 1 1 4 4 GLN H H 4 8.412 8.412 8.097 0.315 19731 7607 1 8 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.501 -0.155 19731 7608 1 8 . 1 1 5 5 PRO C C 5 176.242 176.242 175.963 0.279 19731 7609 1 8 . 1 1 5 5 PRO CA C 5 64.328 64.328 61.978 2.350 19731 7610 1 8 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.437 0.110 19731 7611 1 8 . 1 1 6 6 ILE N N 6 114.232 114.232 120.582 -6.350 19731 7612 1 8 . 1 1 6 6 ILE HA H 6 4.171 4.171 4.210 -0.039 19731 7613 1 8 . 1 1 6 6 ILE C C 6 175.577 175.577 177.040 -1.463 19731 7614 1 8 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.143 -3.107 19731 7615 1 8 . 1 1 6 6 ILE CB C 6 38.684 38.684 37.253 1.431 19731 7616 1 8 . 1 1 6 6 ILE H H 6 7.745 7.745 8.343 -0.598 19731 7617 1 8 . 1 1 7 7 LYS N N 7 121.791 121.791 124.938 -3.147 19731 7618 1 8 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.547 -0.059 19731 7619 1 8 . 1 1 7 7 LYS C C 7 175.898 175.898 175.828 0.070 19731 7620 1 8 . 1 1 7 7 LYS CA C 7 56.766 56.766 56.787 -0.021 19731 7621 1 8 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.160 3.121 19731 7622 1 8 . 1 1 7 7 LYS H H 7 9.462 9.462 9.355 0.107 19731 7623 1 8 . 1 1 8 8 LEU N N 8 122.642 122.642 114.219 8.423 19731 7624 1 8 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.455 -0.268 19731 7625 1 8 . 1 1 8 8 LEU C C 8 171.543 171.543 174.314 -2.771 19731 7626 1 8 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.407 -0.188 19731 7627 1 8 . 1 1 8 8 LEU CB C 8 45.875 45.875 46.180 -0.305 19731 7628 1 8 . 1 1 8 8 LEU H H 8 7.532 7.532 7.280 0.252 19731 7629 1 8 . 1 1 9 9 LEU N N 9 128.904 128.904 117.987 10.917 19731 7630 1 8 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.670 -0.119 19731 7631 1 8 . 1 1 9 9 LEU C C 9 173.410 173.410 174.892 -1.482 19731 7632 1 8 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.708 0.355 19731 7633 1 8 . 1 1 9 9 LEU CB C 9 45.563 45.563 45.549 0.014 19731 7634 1 8 . 1 1 9 9 LEU H H 9 8.900 8.900 9.064 -0.164 19731 7635 1 8 . 1 1 10 10 VAL N N 10 126.431 126.431 117.529 8.902 19731 7636 1 8 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.311 0.033 19731 7637 1 8 . 1 1 10 10 VAL C C 10 174.353 174.353 175.453 -1.100 19731 7638 1 8 . 1 1 10 10 VAL CA C 10 58.880 58.880 59.352 -0.472 19731 7639 1 8 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.628 1.622 19731 7640 1 8 . 1 1 10 10 VAL H H 10 9.246 9.246 9.093 0.153 19731 7641 1 8 . 1 1 11 11 GLY N N 11 115.421 115.421 112.892 2.529 19731 7642 1 8 . 1 1 11 11 GLY C C 11 170.943 170.943 173.042 -2.099 19731 7643 1 8 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.584 1.588 19731 7644 1 8 . 1 1 11 11 GLY H H 11 8.738 8.738 8.552 0.186 19731 7645 1 8 . 1 1 12 12 LEU N N 12 119.415 119.415 125.010 -5.595 19731 7646 1 8 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.663 -0.447 19731 7647 1 8 . 1 1 12 12 LEU C C 12 176.498 176.498 175.825 0.673 19731 7648 1 8 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.246 1.503 19731 7649 1 8 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.865 -2.537 19731 7650 1 8 . 1 1 12 12 LEU H H 12 7.423 7.423 8.202 -0.779 19731 7651 1 8 . 1 1 13 13 ALA N N 13 121.608 121.608 124.965 -3.357 19731 7652 1 8 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.535 -0.167 19731 7653 1 8 . 1 1 13 13 ALA C C 13 177.463 177.463 175.008 2.455 19731 7654 1 8 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.846 1.928 19731 7655 1 8 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.924 3.716 19731 7656 1 8 . 1 1 13 13 ALA H H 13 8.627 8.627 8.423 0.204 19731 7657 1 8 . 1 1 14 14 ASN N N 14 116.827 116.827 117.701 -0.874 19731 7658 1 8 . 1 1 14 14 ASN HA H 14 4.404 4.404 5.094 -0.690 19731 7659 1 8 . 1 1 14 14 ASN C C 14 173.431 173.431 173.939 -0.508 19731 7660 1 8 . 1 1 14 14 ASN CA C 14 51.052 51.052 50.737 0.314 19731 7661 1 8 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.365 2.119 19731 7662 1 8 . 1 1 14 14 ASN H H 14 8.896 8.896 8.261 0.635 19731 7663 1 8 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.213 0.144 19731 7664 1 8 . 1 1 17 17 PRO C C 17 179.073 179.073 177.912 1.161 19731 7665 1 8 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.569 0.603 19731 7666 1 8 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.095 -0.221 19731 7667 1 8 . 1 1 18 18 GLU N N 18 118.514 118.514 115.527 2.987 19731 7668 1 8 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.073 -0.019 19731 7669 1 8 . 1 1 18 18 GLU C C 18 177.807 177.807 177.138 0.669 19731 7670 1 8 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.431 0.370 19731 7671 1 8 . 1 1 18 18 GLU CB C 18 28.429 28.429 29.058 -0.629 19731 7672 1 8 . 1 1 18 18 GLU H H 18 9.729 9.729 8.340 1.389 19731 7673 1 8 . 1 1 19 19 TYR N N 19 115.421 115.421 115.403 0.018 19731 7674 1 8 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.658 -1.231 19731 7675 1 8 . 1 1 19 19 TYR C C 19 177.549 177.549 177.243 0.306 19731 7676 1 8 . 1 1 19 19 TYR CA C 19 58.332 58.332 56.394 1.938 19731 7677 1 8 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.479 1.222 19731 7678 1 8 . 1 1 19 19 TYR H H 19 7.268 7.268 7.340 -0.072 19731 7679 1 8 . 1 1 20 20 ALA N N 20 123.858 123.858 122.266 1.592 19731 7680 1 8 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.370 0.059 19731 7681 1 8 . 1 1 20 20 ALA C C 20 178.365 178.365 177.808 0.557 19731 7682 1 8 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.227 2.756 19731 7683 1 8 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.485 1.256 19731 7684 1 8 . 1 1 20 20 ALA H H 20 7.245 7.245 7.634 -0.389 19731 7685 1 8 . 1 1 21 21 LYS N N 21 114.577 114.577 117.035 -2.458 19731 7686 1 8 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.306 0.477 19731 7687 1 8 . 1 1 21 21 LYS C C 21 176.541 176.541 176.549 -0.008 19731 7688 1 8 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.667 -2.253 19731 7689 1 8 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.041 0.068 19731 7690 1 8 . 1 1 21 21 LYS H H 21 8.894 8.894 7.699 1.195 19731 7691 1 8 . 1 1 22 22 THR N N 22 111.202 111.202 114.182 -2.980 19731 7692 1 8 . 1 1 22 22 THR HA H 22 4.495 4.495 4.473 0.022 19731 7693 1 8 . 1 1 22 22 THR C C 22 175.277 175.277 174.498 0.779 19731 7694 1 8 . 1 1 22 22 THR CA C 22 61.306 61.306 59.583 1.723 19731 7695 1 8 . 1 1 22 22 THR CB C 22 72.109 72.109 71.527 0.582 19731 7696 1 8 . 1 1 22 22 THR H H 22 7.927 7.927 7.303 0.624 19731 7697 1 8 . 1 1 23 23 ARG N N 23 119.639 119.639 120.684 -1.045 19731 7698 1 8 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.117 0.391 19731 7699 1 8 . 1 1 23 23 ARG C C 23 177.142 177.142 177.737 -0.595 19731 7700 1 8 . 1 1 23 23 ARG CA C 23 60.993 60.993 58.027 2.966 19731 7701 1 8 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.409 1.465 19731 7702 1 8 . 1 1 23 23 ARG H H 23 8.245 8.245 8.531 -0.286 19731 7703 1 8 . 1 1 24 24 HIS N N 24 115.140 115.140 117.226 -2.086 19731 7704 1 8 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.508 -0.580 19731 7705 1 8 . 1 1 24 24 HIS C C 24 173.109 173.109 174.062 -0.953 19731 7706 1 8 . 1 1 24 24 HIS CA C 24 53.870 53.870 55.510 -1.639 19731 7707 1 8 . 1 1 24 24 HIS CB C 24 29.003 29.003 28.436 0.567 19731 7708 1 8 . 1 1 24 24 HIS H H 24 8.245 8.245 8.418 -0.173 19731 7709 1 8 . 1 1 25 25 ASN N N 25 115.140 115.140 117.663 -2.523 19731 7710 1 8 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.714 0.047 19731 7711 1 8 . 1 1 25 25 ASN C C 25 175.234 175.234 175.589 -0.355 19731 7712 1 8 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.861 -0.713 19731 7713 1 8 . 1 1 25 25 ASN CB C 25 38.214 38.214 37.951 0.263 19731 7714 1 8 . 1 1 25 25 ASN H H 25 7.661 7.661 7.501 0.160 19731 7715 1 8 . 1 1 26 26 ALA N N 26 120.764 120.764 124.373 -3.609 19731 7716 1 8 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.983 0.774 19731 7717 1 8 . 1 1 26 26 ALA C C 26 178.428 178.428 179.069 -0.641 19731 7718 1 8 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.549 -1.053 19731 7719 1 8 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.199 0.211 19731 7720 1 8 . 1 1 26 26 ALA H H 26 7.148 7.148 7.773 -0.625 19731 7721 1 8 . 1 1 27 27 GLY N N 27 100.254 100.254 104.815 -4.561 19731 7722 1 8 . 1 1 27 27 GLY C C 27 176.520 176.520 175.773 0.747 19731 7723 1 8 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.523 0.459 19731 7724 1 8 . 1 1 27 27 GLY H H 27 8.957 8.957 7.969 0.988 19731 7725 1 8 . 1 1 28 28 ALA N N 28 123.296 123.296 124.251 -0.955 19731 7726 1 8 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.275 -0.085 19731 7727 1 8 . 1 1 28 28 ALA C C 28 179.373 179.373 178.418 0.955 19731 7728 1 8 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.925 1.667 19731 7729 1 8 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.739 -0.407 19731 7730 1 8 . 1 1 28 28 ALA H H 28 7.090 7.090 7.516 -0.426 19731 7731 1 8 . 1 1 29 29 TRP N N 29 117.952 117.952 120.563 -2.611 19731 7732 1 8 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.341 0.376 19731 7733 1 8 . 1 1 29 29 TRP C C 29 179.973 179.973 178.078 1.895 19731 7734 1 8 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.499 -2.637 19731 7735 1 8 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.458 -1.402 19731 7736 1 8 . 1 1 29 29 TRP H H 29 7.649 7.649 8.553 -0.904 19731 7737 1 8 . 1 1 30 30 VAL N N 30 116.082 116.082 115.072 1.010 19731 7738 1 8 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.860 -0.304 19731 7739 1 8 . 1 1 30 30 VAL C C 30 176.542 176.542 177.489 -0.947 19731 7740 1 8 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.391 0.769 19731 7741 1 8 . 1 1 30 30 VAL CB C 30 32.030 32.030 30.902 1.128 19731 7742 1 8 . 1 1 30 30 VAL H H 30 7.263 7.263 7.671 -0.408 19731 7743 1 8 . 1 1 31 31 VAL N N 31 118.514 118.514 121.699 -3.185 19731 7744 1 8 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.666 -0.406 19731 7745 1 8 . 1 1 31 31 VAL C C 31 177.142 177.142 177.966 -0.824 19731 7746 1 8 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.886 0.761 19731 7747 1 8 . 1 1 31 31 VAL CB C 31 31.639 31.639 30.970 0.669 19731 7748 1 8 . 1 1 31 31 VAL H H 31 6.912 6.912 7.140 -0.228 19731 7749 1 8 . 1 1 32 32 GLU N N 32 117.882 117.882 119.877 -1.995 19731 7750 1 8 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.914 -0.123 19731 7751 1 8 . 1 1 32 32 GLU C C 32 179.715 179.715 178.680 1.035 19731 7752 1 8 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.698 0.356 19731 7753 1 8 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.407 0.666 19731 7754 1 8 . 1 1 32 32 GLU H H 32 9.069 9.069 7.627 1.442 19731 7755 1 8 . 1 1 33 33 GLU N N 33 120.202 120.202 120.194 0.008 19731 7756 1 8 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.951 0.553 19731 7757 1 8 . 1 1 33 33 GLU C C 33 177.807 177.807 178.803 -0.996 19731 7758 1 8 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.651 -0.163 19731 7759 1 8 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.239 -0.262 19731 7760 1 8 . 1 1 33 33 GLU H H 33 7.967 7.967 7.481 0.486 19731 7761 1 8 . 1 1 34 34 LEU N N 34 121.046 121.046 120.028 1.018 19731 7762 1 8 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.966 0.057 19731 7763 1 8 . 1 1 34 34 LEU C C 34 178.429 178.429 178.437 -0.008 19731 7764 1 8 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.632 0.790 19731 7765 1 8 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.788 0.653 19731 7766 1 8 . 1 1 34 34 LEU H H 34 8.297 8.297 7.983 0.314 19731 7767 1 8 . 1 1 35 35 ALA N N 35 118.233 118.233 120.353 -2.120 19731 7768 1 8 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.910 -0.043 19731 7769 1 8 . 1 1 35 35 ALA C C 35 178.729 178.729 179.248 -0.519 19731 7770 1 8 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.010 0.660 19731 7771 1 8 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.165 -1.008 19731 7772 1 8 . 1 1 35 35 ALA H H 35 8.450 8.450 8.018 0.432 19731 7773 1 8 . 1 1 36 36 ARG N N 36 118.796 118.796 117.243 1.553 19731 7774 1 8 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.097 -0.057 19731 7775 1 8 . 1 1 36 36 ARG C C 36 181.217 181.217 177.640 3.577 19731 7776 1 8 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.660 1.159 19731 7777 1 8 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.268 0.275 19731 7778 1 8 . 1 1 36 36 ARG H H 36 8.063 8.063 7.673 0.390 19731 7779 1 8 . 1 1 37 37 ILE N N 37 119.077 119.077 118.737 0.340 19731 7780 1 8 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.925 -0.174 19731 7781 1 8 . 1 1 37 37 ILE C C 37 177.443 177.443 177.870 -0.427 19731 7782 1 8 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.738 0.621 19731 7783 1 8 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.888 0.326 19731 7784 1 8 . 1 1 37 37 ILE H H 37 8.420 8.420 7.462 0.958 19731 7785 1 8 . 1 1 38 38 HIS N N 38 116.546 116.546 115.854 0.692 19731 7786 1 8 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.647 -0.248 19731 7787 1 8 . 1 1 38 38 HIS C C 38 173.452 173.452 174.348 -0.896 19731 7788 1 8 . 1 1 38 38 HIS CA C 38 57.236 57.236 55.745 1.490 19731 7789 1 8 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.118 -0.419 19731 7790 1 8 . 1 1 38 38 HIS H H 38 7.635 7.635 7.697 -0.062 19731 7791 1 8 . 1 1 39 39 ASN N N 39 117.108 117.108 117.472 -0.364 19731 7792 1 8 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.400 -0.048 19731 7793 1 8 . 1 1 39 39 ASN C C 39 174.310 174.310 173.787 0.523 19731 7794 1 8 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.995 0.659 19731 7795 1 8 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.050 0.303 19731 7796 1 8 . 1 1 39 39 ASN H H 39 7.942 7.942 8.001 -0.059 19731 7797 1 8 . 1 1 40 40 VAL N N 40 119.921 119.921 119.116 0.805 19731 7798 1 8 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.353 -0.137 19731 7799 1 8 . 1 1 40 40 VAL C C 40 175.361 175.361 175.969 -0.608 19731 7800 1 8 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.858 0.919 19731 7801 1 8 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.901 0.321 19731 7802 1 8 . 1 1 40 40 VAL H H 40 8.578 8.578 7.671 0.907 19731 7803 1 8 . 1 1 41 41 THR N N 41 123.878 123.878 122.633 1.245 19731 7804 1 8 . 1 1 41 41 THR HA H 41 4.231 4.231 4.298 -0.067 19731 7805 1 8 . 1 1 41 41 THR C C 41 174.033 174.033 173.714 0.319 19731 7806 1 8 . 1 1 41 41 THR CA C 41 61.776 61.776 62.343 -0.567 19731 7807 1 8 . 1 1 41 41 THR CB C 41 69.525 69.525 68.605 0.921 19731 7808 1 8 . 1 1 41 41 THR H H 41 8.617 8.617 8.472 0.145 19731 7809 1 8 . 1 1 42 42 LEU N N 42 128.639 128.639 129.596 -0.957 19731 7810 1 8 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.322 0.015 19731 7811 1 8 . 1 1 42 42 LEU C C 42 175.919 175.919 176.140 -0.221 19731 7812 1 8 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.436 0.373 19731 7813 1 8 . 1 1 42 42 LEU CB C 42 41.893 41.893 41.058 0.835 19731 7814 1 8 . 1 1 42 42 LEU H H 42 8.783 8.783 8.574 0.209 19731 7815 1 8 . 1 1 43 43 LYS N N 43 122.452 122.452 126.801 -4.349 19731 7816 1 8 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.790 -0.201 19731 7817 1 8 . 1 1 43 43 LYS C C 43 175.619 175.619 174.657 0.962 19731 7818 1 8 . 1 1 43 43 LYS CA C 43 54.496 54.496 53.591 0.905 19731 7819 1 8 . 1 1 43 43 LYS CB C 43 35.944 35.944 34.555 1.389 19731 7820 1 8 . 1 1 43 43 LYS H H 43 8.738 8.738 8.345 0.393 19731 7821 1 8 . 1 1 44 44 ASN N N 44 123.014 123.014 118.185 4.829 19731 7822 1 8 . 1 1 44 44 ASN HA H 44 4.580 4.580 5.429 -0.849 19731 7823 1 8 . 1 1 44 44 ASN C C 44 174.718 174.718 175.093 -0.375 19731 7824 1 8 . 1 1 44 44 ASN CA C 44 54.484 54.484 51.475 3.009 19731 7825 1 8 . 1 1 44 44 ASN CB C 44 38.840 38.840 40.003 -1.163 19731 7826 1 8 . 1 1 44 44 ASN H H 44 8.906 8.906 8.547 0.359 19731 7827 1 8 . 1 1 45 45 GLU N N 45 128.921 128.921 121.425 7.496 19731 7828 1 8 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.779 -0.405 19731 7829 1 8 . 1 1 45 45 GLU C C 45 173.731 173.731 175.690 -1.959 19731 7830 1 8 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.520 0.724 19731 7831 1 8 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.494 1.145 19731 7832 1 8 . 1 1 45 45 GLU H H 45 8.675 8.675 8.298 0.377 19731 7833 1 8 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.512 -0.524 19731 7834 1 8 . 1 1 46 46 PRO C C 46 175.298 175.298 176.597 -1.299 19731 7835 1 8 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.787 0.198 19731 7836 1 8 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.799 0.231 19731 7837 1 8 . 1 1 47 47 LYS N N 47 115.793 115.793 116.591 -0.798 19731 7838 1 8 . 1 1 47 47 LYS HA H 47 3.518 3.518 4.064 -0.546 19731 7839 1 8 . 1 1 47 47 LYS C C 47 174.998 174.998 177.433 -2.435 19731 7840 1 8 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.289 -0.427 19731 7841 1 8 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.188 -0.627 19731 7842 1 8 . 1 1 47 47 LYS H H 47 8.239 8.239 8.032 0.207 19731 7843 1 8 . 1 1 48 48 PHE N N 48 114.577 114.577 114.736 -0.159 19731 7844 1 8 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.752 0.138 19731 7845 1 8 . 1 1 48 48 PHE C C 48 172.810 172.810 176.091 -3.281 19731 7846 1 8 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.132 -2.262 19731 7847 1 8 . 1 1 48 48 PHE CB C 48 39.701 39.701 40.171 -0.470 19731 7848 1 8 . 1 1 48 48 PHE H H 48 7.398 7.398 7.201 0.197 19731 7849 1 8 . 1 1 49 49 PHE N N 49 110.358 110.358 120.607 -10.249 19731 7850 1 8 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.122 -0.270 19731 7851 1 8 . 1 1 49 49 PHE C C 49 175.298 175.298 173.714 1.584 19731 7852 1 8 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.281 -0.262 19731 7853 1 8 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.595 -1.164 19731 7854 1 8 . 1 1 49 49 PHE H H 49 6.923 6.923 8.506 -1.583 19731 7855 1 8 . 1 1 50 50 GLY N N 50 136.915 136.915 106.837 30.078 19731 7856 1 8 . 1 1 50 50 GLY C C 50 170.643 170.643 171.576 -0.933 19731 7857 1 8 . 1 1 50 50 GLY CA C 50 47.138 47.138 45.265 1.873 19731 7858 1 8 . 1 1 50 50 GLY H H 50 6.836 6.836 7.676 -0.840 19731 7859 1 8 . 1 1 51 51 LEU N N 51 119.282 119.282 120.507 -1.225 19731 7860 1 8 . 1 1 51 51 LEU HA H 51 4.837 4.837 5.057 -0.220 19731 7861 1 8 . 1 1 51 51 LEU C C 51 177.164 177.164 176.195 0.969 19731 7862 1 8 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.766 -1.679 19731 7863 1 8 . 1 1 51 51 LEU CB C 51 44.163 44.163 43.612 0.551 19731 7864 1 8 . 1 1 51 51 LEU H H 51 8.692 8.692 7.998 0.694 19731 7865 1 8 . 1 1 52 52 THR N N 52 112.608 112.608 117.787 -5.179 19731 7866 1 8 . 1 1 52 52 THR HA H 52 5.529 5.529 5.598 -0.069 19731 7867 1 8 . 1 1 52 52 THR C C 52 173.732 173.732 172.913 0.819 19731 7868 1 8 . 1 1 52 52 THR CA C 52 59.036 59.036 60.498 -1.462 19731 7869 1 8 . 1 1 52 52 THR CB C 52 72.578 72.578 71.603 0.975 19731 7870 1 8 . 1 1 52 52 THR H H 52 9.230 9.230 9.332 -0.102 19731 7871 1 8 . 1 1 53 53 GLY N N 53 105.858 105.858 111.486 -5.628 19731 7872 1 8 . 1 1 53 53 GLY C C 53 171.545 171.545 171.402 0.143 19731 7873 1 8 . 1 1 53 53 GLY CA C 53 45.024 45.024 45.199 -0.175 19731 7874 1 8 . 1 1 53 53 GLY H H 53 7.881 7.881 9.056 -1.175 19731 7875 1 8 . 1 1 54 54 ARG N N 54 122.128 122.128 125.590 -3.462 19731 7876 1 8 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.709 0.152 19731 7877 1 8 . 1 1 54 54 ARG C C 54 172.767 172.767 174.739 -1.972 19731 7878 1 8 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.270 0.479 19731 7879 1 8 . 1 1 54 54 ARG CB C 54 32.813 32.813 30.463 2.350 19731 7880 1 8 . 1 1 54 54 ARG H H 54 8.627 8.627 8.645 -0.018 19731 7881 1 8 . 1 1 55 55 LEU N N 55 125.264 125.264 128.746 -3.482 19731 7882 1 8 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.625 -0.041 19731 7883 1 8 . 1 1 55 55 LEU C C 55 174.011 174.011 175.486 -1.475 19731 7884 1 8 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.838 0.267 19731 7885 1 8 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.252 0.990 19731 7886 1 8 . 1 1 55 55 LEU H H 55 8.968 8.968 9.249 -0.281 19731 7887 1 8 . 1 1 56 56 LEU N N 56 123.577 123.577 128.466 -4.889 19731 7888 1 8 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.433 0.587 19731 7889 1 8 . 1 1 56 56 LEU C C 56 176.263 176.263 175.969 0.294 19731 7890 1 8 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.799 -1.111 19731 7891 1 8 . 1 1 56 56 LEU CB C 56 43.694 43.694 41.941 1.753 19731 7892 1 8 . 1 1 56 56 LEU H H 56 8.405 8.405 8.684 -0.279 19731 7893 1 8 . 1 1 57 57 ILE N N 57 123.748 123.748 120.984 2.764 19731 7894 1 8 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.147 0.063 19731 7895 1 8 . 1 1 57 57 ILE C C 57 175.655 175.655 175.706 -0.051 19731 7896 1 8 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.401 0.731 19731 7897 1 8 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.298 0.186 19731 7898 1 8 . 1 1 57 57 ILE H H 57 8.617 8.617 8.541 0.076 19731 7899 1 8 . 1 1 58 58 ASN N N 58 127.486 127.486 124.188 3.298 19731 7900 1 8 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.267 0.055 19731 7901 1 8 . 1 1 58 58 ASN C C 58 174.976 174.976 174.466 0.510 19731 7902 1 8 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.860 -1.094 19731 7903 1 8 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.644 0.101 19731 7904 1 8 . 1 1 58 58 ASN H H 58 9.489 9.489 9.078 0.411 19731 7905 1 8 . 1 1 59 59 SER N N 59 106.702 106.702 113.031 -6.329 19731 7906 1 8 . 1 1 59 59 SER HA H 59 3.833 3.833 4.463 -0.630 19731 7907 1 8 . 1 1 59 59 SER C C 59 172.510 172.510 173.783 -1.273 19731 7908 1 8 . 1 1 59 59 SER CA C 59 60.445 60.445 58.760 1.685 19731 7909 1 8 . 1 1 59 59 SER CB C 59 62.246 62.246 65.270 -3.024 19731 7910 1 8 . 1 1 59 59 SER H H 59 8.664 8.664 8.496 0.168 19731 7911 1 8 . 1 1 60 60 GLN N N 60 120.764 120.764 122.805 -2.041 19731 7912 1 8 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.434 0.056 19731 7913 1 8 . 1 1 60 60 GLN C C 60 174.310 174.310 174.157 0.153 19731 7914 1 8 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.635 -0.452 19731 7915 1 8 . 1 1 60 60 GLN CB C 60 31.169 31.169 31.341 -0.172 19731 7916 1 8 . 1 1 60 60 GLN H H 60 7.925 7.925 7.366 0.559 19731 7917 1 8 . 1 1 61 61 GLU N N 61 122.452 122.452 123.399 -0.947 19731 7918 1 8 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.488 0.138 19731 7919 1 8 . 1 1 61 61 GLU C C 61 174.932 174.932 175.100 -0.168 19731 7920 1 8 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.500 0.327 19731 7921 1 8 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.931 1.708 19731 7922 1 8 . 1 1 61 61 GLU H H 61 8.613 8.613 8.578 0.035 19731 7923 1 8 . 1 1 62 62 LEU N N 62 129.483 129.483 126.266 3.217 19731 7924 1 8 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.845 -0.362 19731 7925 1 8 . 1 1 62 62 LEU C C 62 175.276 175.276 176.235 -0.959 19731 7926 1 8 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.245 0.468 19731 7927 1 8 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.973 1.443 19731 7928 1 8 . 1 1 62 62 LEU H H 62 9.131 9.131 9.124 0.007 19731 7929 1 8 . 1 1 63 63 ARG N N 63 125.546 125.546 125.029 0.517 19731 7930 1 8 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.044 -0.160 19731 7931 1 8 . 1 1 63 63 ARG C C 63 174.998 174.998 174.892 0.106 19731 7932 1 8 . 1 1 63 63 ARG CA C 63 55.983 55.983 55.225 0.758 19731 7933 1 8 . 1 1 63 63 ARG CB C 63 31.013 31.013 31.080 -0.067 19731 7934 1 8 . 1 1 63 63 ARG H H 63 7.802 7.802 9.284 -1.482 19731 7935 1 8 . 1 1 64 64 VAL N N 64 112.608 112.608 125.472 -12.864 19731 7936 1 8 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.390 0.450 19731 7937 1 8 . 1 1 64 64 VAL C C 64 174.353 174.353 173.751 0.602 19731 7938 1 8 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.801 -2.017 19731 7939 1 8 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.292 -0.365 19731 7940 1 8 . 1 1 64 64 VAL H H 64 8.199 8.199 9.055 -0.856 19731 7941 1 8 . 1 1 65 65 LEU N N 65 122.279 122.279 130.292 -8.013 19731 7942 1 8 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.540 -0.014 19731 7943 1 8 . 1 1 65 65 LEU C C 65 174.353 174.353 174.471 -0.118 19731 7944 1 8 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.437 0.120 19731 7945 1 8 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.462 1.224 19731 7946 1 8 . 1 1 65 65 LEU H H 65 8.163 8.163 8.524 -0.361 19731 7947 1 8 . 1 1 66 66 ILE N N 66 126.952 126.952 126.398 0.554 19731 7948 1 8 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.180 -0.058 19731 7949 1 8 . 1 1 66 66 ILE C C 66 173.817 173.817 173.317 0.500 19731 7950 1 8 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.911 1.656 19731 7951 1 8 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.498 0.317 19731 7952 1 8 . 1 1 66 66 ILE H H 66 9.131 9.131 9.031 0.100 19731 7953 1 8 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.604 -0.096 19731 7954 1 8 . 1 1 67 67 PRO C C 67 177.786 177.786 177.502 0.284 19731 7955 1 8 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.774 0.429 19731 7956 1 8 . 1 1 67 67 PRO CB C 67 33.109 33.109 31.901 1.208 19731 7957 1 8 . 1 1 68 68 THR N N 68 115.421 115.421 117.970 -2.549 19731 7958 1 8 . 1 1 68 68 THR HA H 68 4.370 4.370 4.023 0.347 19731 7959 1 8 . 1 1 68 68 THR C C 68 174.054 174.054 175.325 -1.271 19731 7960 1 8 . 1 1 68 68 THR CA C 68 60.445 60.445 65.339 -4.894 19731 7961 1 8 . 1 1 68 68 THR CB C 68 67.177 67.177 68.406 -1.229 19731 7962 1 8 . 1 1 68 68 THR H H 68 9.645 9.645 7.997 1.648 19731 7963 1 8 . 1 1 69 69 THR N N 69 110.954 110.954 118.827 -7.873 19731 7964 1 8 . 1 1 69 69 THR HA H 69 4.065 4.065 4.604 -0.539 19731 7965 1 8 . 1 1 69 69 THR C C 69 177.184 177.184 174.325 2.859 19731 7966 1 8 . 1 1 69 69 THR CA C 69 62.011 62.011 62.359 -0.348 19731 7967 1 8 . 1 1 69 69 THR CB C 69 71.013 71.013 68.367 2.646 19731 7968 1 8 . 1 1 69 69 THR H H 69 7.063 7.063 8.144 -1.081 19731 7969 1 8 . 1 1 70 70 PHE N N 70 111.483 111.483 124.463 -12.980 19731 7970 1 8 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.293 -0.037 19731 7971 1 8 . 1 1 70 70 PHE C C 70 179.029 179.029 175.676 3.353 19731 7972 1 8 . 1 1 70 70 PHE CA C 70 62.559 62.559 59.848 2.711 19731 7973 1 8 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.184 0.187 19731 7974 1 8 . 1 1 70 70 PHE H H 70 8.033 8.033 8.506 -0.473 19731 7975 1 8 . 1 1 71 71 MET N N 71 121.809 121.809 119.153 2.656 19731 7976 1 8 . 1 1 71 71 MET HA H 71 4.055 4.055 4.370 -0.315 19731 7977 1 8 . 1 1 71 71 MET C C 71 179.372 179.372 177.391 1.981 19731 7978 1 8 . 1 1 71 71 MET CA C 71 58.488 58.488 57.580 0.908 19731 7979 1 8 . 1 1 71 71 MET CB C 71 31.036 31.036 32.495 -1.459 19731 7980 1 8 . 1 1 71 71 MET H H 71 8.671 8.671 7.690 0.981 19731 7981 1 8 . 1 1 72 72 ASN N N 72 115.648 115.648 115.651 -0.003 19731 7982 1 8 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.599 -0.442 19731 7983 1 8 . 1 1 72 72 ASN C C 72 173.454 173.454 176.647 -3.193 19731 7984 1 8 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.692 -0.883 19731 7985 1 8 . 1 1 72 72 ASN CB C 72 36.805 36.805 39.036 -2.232 19731 7986 1 8 . 1 1 72 72 ASN H H 72 8.817 8.817 8.193 0.624 19731 7987 1 8 . 1 1 73 73 LEU N N 73 119.077 119.077 121.615 -2.538 19731 7988 1 8 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.434 0.539 19731 7989 1 8 . 1 1 73 73 LEU C C 73 177.485 177.485 177.708 -0.223 19731 7990 1 8 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.398 -1.528 19731 7991 1 8 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.916 1.621 19731 7992 1 8 . 1 1 73 73 LEU H H 73 7.362 7.362 7.632 -0.270 19731 7993 1 8 . 1 1 74 74 SER N N 74 114.067 114.067 116.822 -2.755 19731 7994 1 8 . 1 1 74 74 SER HA H 74 4.084 4.084 4.126 -0.042 19731 7995 1 8 . 1 1 74 74 SER C C 74 175.640 175.640 176.926 -1.286 19731 7996 1 8 . 1 1 74 74 SER CA C 74 63.498 63.498 62.385 1.113 19731 7997 1 8 . 1 1 74 74 SER CB C 74 66.081 66.081 62.697 3.384 19731 7998 1 8 . 1 1 74 74 SER H H 74 7.499 7.499 7.984 -0.485 19731 7999 1 8 . 1 1 75 75 GLY N N 75 107.827 107.827 108.180 -0.353 19731 8000 1 8 . 1 1 75 75 GLY C C 75 174.954 174.954 175.921 -0.967 19731 8001 1 8 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.269 1.730 19731 8002 1 8 . 1 1 75 75 GLY H H 75 10.017 10.017 8.750 1.267 19731 8003 1 8 . 1 1 76 76 LYS N N 76 120.250 120.250 122.576 -2.326 19731 8004 1 8 . 1 1 76 76 LYS HA H 76 3.973 3.973 4.007 -0.034 19731 8005 1 8 . 1 1 76 76 LYS C C 76 179.051 179.051 178.709 0.342 19731 8006 1 8 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.050 0.222 19731 8007 1 8 . 1 1 76 76 LYS CB C 76 32.813 32.813 31.835 0.978 19731 8008 1 8 . 1 1 76 76 LYS H H 76 7.975 7.975 7.776 0.199 19731 8009 1 8 . 1 1 77 77 ALA N N 77 121.046 121.046 122.025 -0.979 19731 8010 1 8 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.434 0.004 19731 8011 1 8 . 1 1 77 77 ALA C C 77 177.463 177.463 179.571 -2.108 19731 8012 1 8 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.080 -0.114 19731 8013 1 8 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.566 2.192 19731 8014 1 8 . 1 1 77 77 ALA H H 77 6.824 6.824 7.834 -1.010 19731 8015 1 8 . 1 1 78 78 ILE N N 78 115.422 115.422 118.255 -2.833 19731 8016 1 8 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.633 -0.511 19731 8017 1 8 . 1 1 78 78 ILE C C 78 177.163 177.163 177.556 -0.393 19731 8018 1 8 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.246 1.600 19731 8019 1 8 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.717 1.437 19731 8020 1 8 . 1 1 78 78 ILE H H 78 7.124 7.124 7.327 -0.203 19731 8021 1 8 . 1 1 79 79 ALA N N 79 117.952 117.952 123.463 -5.511 19731 8022 1 8 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.812 0.124 19731 8023 1 8 . 1 1 79 79 ALA C C 79 179.329 179.329 179.117 0.212 19731 8024 1 8 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.343 -0.299 19731 8025 1 8 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.927 0.483 19731 8026 1 8 . 1 1 79 79 ALA H H 79 8.644 8.644 8.497 0.147 19731 8027 1 8 . 1 1 80 80 ALA N N 80 118.796 118.796 120.522 -1.726 19731 8028 1 8 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.166 0.141 19731 8029 1 8 . 1 1 80 80 ALA C C 80 180.616 180.616 179.352 1.264 19731 8030 1 8 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.740 0.851 19731 8031 1 8 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.608 0.115 19731 8032 1 8 . 1 1 80 80 ALA H H 80 7.442 7.442 7.490 -0.048 19731 8033 1 8 . 1 1 81 81 LEU N N 81 119.878 119.878 120.090 -0.212 19731 8034 1 8 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.506 0.098 19731 8035 1 8 . 1 1 81 81 LEU C C 81 178.750 178.750 177.637 1.113 19731 8036 1 8 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.276 1.994 19731 8037 1 8 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.299 1.299 19731 8038 1 8 . 1 1 81 81 LEU H H 81 7.953 7.953 7.186 0.767 19731 8039 1 8 . 1 1 82 82 ALA N N 82 120.764 120.764 119.300 1.464 19731 8040 1 8 . 1 1 82 82 ALA HA H 82 3.883 3.883 1.967 1.916 19731 8041 1 8 . 1 1 82 82 ALA C C 82 180.273 180.273 178.850 1.423 19731 8042 1 8 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.336 1.804 19731 8043 1 8 . 1 1 82 82 ALA CB C 82 17.236 17.236 17.681 -0.445 19731 8044 1 8 . 1 1 82 82 ALA H H 82 8.906 8.906 8.307 0.599 19731 8045 1 8 . 1 1 83 83 ASN N N 83 113.733 113.733 117.549 -3.816 19731 8046 1 8 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.334 0.192 19731 8047 1 8 . 1 1 83 83 ASN C C 83 178.085 178.085 176.947 1.138 19731 8048 1 8 . 1 1 83 83 ASN CA C 83 55.827 55.827 55.465 0.362 19731 8049 1 8 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.444 -0.073 19731 8050 1 8 . 1 1 83 83 ASN H H 83 8.644 8.644 7.620 1.024 19731 8051 1 8 . 1 1 84 84 PHE N N 84 121.327 121.327 117.009 4.318 19731 8052 1 8 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.534 -0.473 19731 8053 1 8 . 1 1 84 84 PHE C C 84 177.164 177.164 176.821 0.343 19731 8054 1 8 . 1 1 84 84 PHE CA C 84 62.089 62.089 59.026 3.062 19731 8055 1 8 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.655 1.751 19731 8056 1 8 . 1 1 84 84 PHE H H 84 7.621 7.621 7.289 0.332 19731 8057 1 8 . 1 1 85 85 TYR N N 85 112.890 112.890 116.588 -3.698 19731 8058 1 8 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.791 -0.284 19731 8059 1 8 . 1 1 85 85 TYR C C 85 173.732 173.732 175.665 -1.933 19731 8060 1 8 . 1 1 85 85 TYR CA C 85 59.193 59.193 56.601 2.592 19731 8061 1 8 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.550 1.369 19731 8062 1 8 . 1 1 85 85 TYR H H 85 7.578 7.578 6.811 0.767 19731 8063 1 8 . 1 1 86 86 GLN N N 86 117.671 117.671 115.130 2.541 19731 8064 1 8 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.811 0.132 19731 8065 1 8 . 1 1 86 86 GLN C C 86 174.675 174.675 175.015 -0.340 19731 8066 1 8 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.959 0.277 19731 8067 1 8 . 1 1 86 86 GLN CB C 86 25.846 25.846 25.851 -0.005 19731 8068 1 8 . 1 1 86 86 GLN H H 86 7.691 7.691 7.787 -0.096 19731 8069 1 8 . 1 1 87 87 ILE N N 87 122.171 122.171 118.215 3.956 19731 8070 1 8 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.142 -0.145 19731 8071 1 8 . 1 1 87 87 ILE C C 87 175.597 175.597 176.194 -0.597 19731 8072 1 8 . 1 1 87 87 ILE CA C 87 61.619 61.619 60.800 0.819 19731 8073 1 8 . 1 1 87 87 ILE CB C 87 40.484 40.484 38.540 1.944 19731 8074 1 8 . 1 1 87 87 ILE H H 87 8.786 8.786 8.031 0.755 19731 8075 1 8 . 1 1 88 88 LYS N N 88 128.639 128.639 126.008 2.631 19731 8076 1 8 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.237 -0.316 19731 8077 1 8 . 1 1 88 88 LYS CA C 88 54.887 54.887 56.154 -1.267 19731 8078 1 8 . 1 1 88 88 LYS CB C 88 31.639 31.639 32.263 -0.624 19731 8079 1 8 . 1 1 88 88 LYS H H 88 8.957 8.957 8.561 0.396 19731 8080 1 8 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.159 -0.139 19731 8081 1 8 . 1 1 89 89 PRO C C 89 176.542 176.542 178.202 -1.660 19731 8082 1 8 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.587 0.710 19731 8083 1 8 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.924 -0.221 19731 8084 1 8 . 1 1 90 90 GLU N N 90 111.202 111.202 115.028 -3.826 19731 8085 1 8 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.487 -0.179 19731 8086 1 8 . 1 1 90 90 GLU C C 90 176.241 176.241 177.199 -0.958 19731 8087 1 8 . 1 1 90 90 GLU CA C 90 59.036 59.036 57.474 1.562 19731 8088 1 8 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.301 0.207 19731 8089 1 8 . 1 1 90 90 GLU H H 90 9.328 9.328 8.410 0.918 19731 8090 1 8 . 1 1 91 91 GLU N N 91 116.265 116.265 119.316 -3.051 19731 8091 1 8 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.182 0.750 19731 8092 1 8 . 1 1 91 91 GLU C C 91 175.254 175.254 176.365 -1.111 19731 8093 1 8 . 1 1 91 91 GLU CA C 91 54.653 54.653 56.522 -1.869 19731 8094 1 8 . 1 1 91 91 GLU CB C 91 30.856 30.856 29.948 0.908 19731 8095 1 8 . 1 1 91 91 GLU H H 91 8.101 8.101 8.156 -0.055 19731 8096 1 8 . 1 1 92 92 ILE N N 92 122.683 122.683 122.324 0.359 19731 8097 1 8 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.171 0.063 19731 8098 1 8 . 1 1 92 92 ILE C C 92 173.710 173.710 174.917 -1.207 19731 8099 1 8 . 1 1 92 92 ILE CA C 92 60.837 60.837 60.662 0.175 19731 8100 1 8 . 1 1 92 92 ILE CB C 92 40.171 40.171 36.038 4.133 19731 8101 1 8 . 1 1 92 92 ILE H H 92 8.042 8.042 7.420 0.622 19731 8102 1 8 . 1 1 93 93 MET N N 93 125.264 125.264 128.585 -3.321 19731 8103 1 8 . 1 1 93 93 MET HA H 93 5.215 5.215 5.508 -0.293 19731 8104 1 8 . 1 1 93 93 MET C C 93 173.454 173.454 174.601 -1.147 19731 8105 1 8 . 1 1 93 93 MET CA C 93 53.322 53.322 54.447 -1.125 19731 8106 1 8 . 1 1 93 93 MET CB C 93 36.570 36.570 35.563 1.007 19731 8107 1 8 . 1 1 93 93 MET H H 93 9.187 9.187 8.261 0.926 19731 8108 1 8 . 1 1 94 94 VAL N N 94 128.639 128.639 126.267 2.372 19731 8109 1 8 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.049 -0.451 19731 8110 1 8 . 1 1 94 94 VAL C C 94 174.675 174.675 174.103 0.572 19731 8111 1 8 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.112 1.194 19731 8112 1 8 . 1 1 94 94 VAL CB C 94 33.518 33.518 34.613 -1.095 19731 8113 1 8 . 1 1 94 94 VAL H H 94 9.406 9.406 9.139 0.268 19731 8114 1 8 . 1 1 95 95 ALA N N 95 132.577 132.577 128.190 4.387 19731 8115 1 8 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.938 -0.203 19731 8116 1 8 . 1 1 95 95 ALA C C 95 175.640 175.640 175.820 -0.180 19731 8117 1 8 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.277 -0.086 19731 8118 1 8 . 1 1 95 95 ALA CB C 95 20.210 20.210 21.956 -1.746 19731 8119 1 8 . 1 1 95 95 ALA H H 95 10.008 10.008 9.269 0.739 19731 8120 1 8 . 1 1 96 96 HIS N N 96 119.077 119.077 119.692 -0.615 19731 8121 1 8 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.032 0.315 19731 8122 1 8 . 1 1 96 96 HIS C C 96 171.543 171.543 173.352 -1.809 19731 8123 1 8 . 1 1 96 96 HIS CA C 96 53.870 53.870 55.040 -1.170 19731 8124 1 8 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.686 -0.108 19731 8125 1 8 . 1 1 96 96 HIS H H 96 8.972 8.972 8.284 0.688 19731 8126 1 8 . 1 1 97 97 ASP N N 97 115.983 115.983 119.594 -3.611 19731 8127 1 8 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.526 0.169 19731 8128 1 8 . 1 1 97 97 ASP C C 97 178.064 178.064 175.439 2.625 19731 8129 1 8 . 1 1 97 97 ASP CA C 97 53.635 53.635 53.938 -0.303 19731 8130 1 8 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.394 -0.145 19731 8131 1 8 . 1 1 97 97 ASP H H 97 10.517 10.517 8.503 2.014 19731 8132 1 8 . 1 1 98 98 GLU N N 98 127.233 127.233 122.058 5.175 19731 8133 1 8 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.711 0.444 19731 8134 1 8 . 1 1 98 98 GLU C C 98 174.932 174.932 176.097 -1.165 19731 8135 1 8 . 1 1 98 98 GLU CA C 98 53.635 53.635 54.987 -1.352 19731 8136 1 8 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.814 -0.375 19731 8137 1 8 . 1 1 98 98 GLU H H 98 9.194 9.194 7.921 1.273 19731 8138 1 8 . 1 1 99 99 LEU N N 99 132.858 132.858 122.370 10.488 19731 8139 1 8 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.527 0.099 19731 8140 1 8 . 1 1 99 99 LEU C C 99 178.128 178.128 176.956 1.172 19731 8141 1 8 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.469 1.532 19731 8142 1 8 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.982 2.573 19731 8143 1 8 . 1 1 99 99 LEU H H 99 8.692 8.692 8.702 -0.010 19731 8144 1 8 . 1 1 100 100 ASP N N 100 113.733 113.733 119.624 -5.891 19731 8145 1 8 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.484 0.127 19731 8146 1 8 . 1 1 100 100 ASP C C 100 175.276 175.276 175.931 -0.655 19731 8147 1 8 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.747 -0.781 19731 8148 1 8 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.166 -0.290 19731 8149 1 8 . 1 1 100 100 ASP H H 100 9.191 9.191 8.184 1.007 19731 8150 1 8 . 1 1 101 101 LEU N N 101 119.932 119.932 120.660 -0.728 19731 8151 1 8 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.887 -0.086 19731 8152 1 8 . 1 1 101 101 LEU C C 101 172.522 172.522 174.455 -1.933 19731 8153 1 8 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.508 -0.143 19731 8154 1 8 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.073 1.265 19731 8155 1 8 . 1 1 101 101 LEU H H 101 7.427 7.427 7.353 0.074 19731 8156 1 8 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.426 0.055 19731 8157 1 8 . 1 1 103 103 PRO C C 103 178.429 178.429 177.161 1.268 19731 8158 1 8 . 1 1 103 103 PRO CA C 103 62.922 62.922 62.992 -0.070 19731 8159 1 8 . 1 1 103 103 PRO CB C 103 31.422 31.422 30.941 0.481 19731 8160 1 8 . 1 1 104 104 GLY N N 104 113.733 113.733 112.835 0.898 19731 8161 1 8 . 1 1 104 104 GLY C C 104 172.144 172.144 172.876 -0.732 19731 8162 1 8 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.209 0.755 19731 8163 1 8 . 1 1 104 104 GLY H H 104 9.826 9.826 8.680 1.146 19731 8164 1 8 . 1 1 105 105 VAL N N 105 116.265 116.265 114.138 2.127 19731 8165 1 8 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.129 -0.425 19731 8166 1 8 . 1 1 105 105 VAL C C 105 174.654 174.654 173.533 1.121 19731 8167 1 8 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.673 0.849 19731 8168 1 8 . 1 1 105 105 VAL CB C 105 34.927 34.927 35.483 -0.556 19731 8169 1 8 . 1 1 105 105 VAL H H 105 7.518 7.518 7.202 0.316 19731 8170 1 8 . 1 1 106 106 ALA N N 106 129.764 129.764 125.674 4.090 19731 8171 1 8 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.469 -0.054 19731 8172 1 8 . 1 1 106 106 ALA C C 106 174.954 174.954 175.987 -1.033 19731 8173 1 8 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.301 1.220 19731 8174 1 8 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.016 1.717 19731 8175 1 8 . 1 1 106 106 ALA H H 106 9.484 9.484 8.203 1.281 19731 8176 1 8 . 1 1 107 107 LYS N N 107 113.733 113.733 120.498 -6.765 19731 8177 1 8 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.514 0.407 19731 8178 1 8 . 1 1 107 107 LYS C C 107 176.262 176.262 174.432 1.830 19731 8179 1 8 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.144 -0.570 19731 8180 1 8 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.622 3.001 19731 8181 1 8 . 1 1 107 107 LYS H H 107 8.184 8.184 8.098 0.086 19731 8182 1 8 . 1 1 108 108 PHE N N 108 122.733 122.733 124.342 -1.609 19731 8183 1 8 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.859 1.162 19731 8184 1 8 . 1 1 108 108 PHE C C 108 177.828 177.828 174.315 3.513 19731 8185 1 8 . 1 1 108 108 PHE CA C 108 56.688 56.688 56.908 -0.220 19731 8186 1 8 . 1 1 108 108 PHE CB C 108 42.128 42.128 42.108 0.020 19731 8187 1 8 . 1 1 108 108 PHE H H 108 11.610 11.610 8.467 3.143 19731 8188 1 8 . 1 1 109 109 LYS N N 109 122.733 122.733 126.947 -4.214 19731 8189 1 8 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.500 0.103 19731 8190 1 8 . 1 1 109 109 LYS C C 109 173.152 173.152 173.710 -0.558 19731 8191 1 8 . 1 1 109 109 LYS CA C 109 56.218 56.218 54.050 2.168 19731 8192 1 8 . 1 1 109 109 LYS CB C 109 38.449 38.449 35.277 3.172 19731 8193 1 8 . 1 1 109 109 LYS H H 109 9.275 9.275 8.297 0.978 19731 8194 1 8 . 1 1 110 110 GLN N N 110 126.952 126.952 126.589 0.363 19731 8195 1 8 . 1 1 110 110 GLN HA H 110 4.126 4.126 3.627 0.499 19731 8196 1 8 . 1 1 110 110 GLN C C 110 175.040 175.040 174.949 0.091 19731 8197 1 8 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.925 0.966 19731 8198 1 8 . 1 1 110 110 GLN CB C 110 29.447 29.447 29.681 -0.234 19731 8199 1 8 . 1 1 110 110 GLN H H 110 8.910 8.910 8.589 0.321 19731 8200 1 8 . 1 1 111 111 GLY N N 111 113.910 113.910 115.095 -1.185 19731 8201 1 8 . 1 1 111 111 GLY C C 111 171.543 171.543 172.790 -1.247 19731 8202 1 8 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.247 0.386 19731 8203 1 8 . 1 1 111 111 GLY H H 111 7.170 7.170 7.341 -0.171 19731 8204 1 8 . 1 1 112 112 GLY N N 112 102.365 102.365 110.013 -7.648 19731 8205 1 8 . 1 1 112 112 GLY C C 112 174.954 174.954 173.350 1.604 19731 8206 1 8 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.090 -0.709 19731 8207 1 8 . 1 1 112 112 GLY H H 112 7.634 7.634 8.021 -0.387 19731 8208 1 8 . 1 1 113 113 GLY N N 113 104.247 104.247 108.455 -4.208 19731 8209 1 8 . 1 1 113 113 GLY C C 113 174.737 174.737 173.033 1.704 19731 8210 1 8 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.276 0.129 19731 8211 1 8 . 1 1 113 113 GLY H H 113 8.109 8.109 7.952 0.157 19731 8212 1 8 . 1 1 114 114 HIS N N 114 114.133 114.133 117.151 -3.018 19731 8213 1 8 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.808 -0.287 19731 8214 1 8 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.373 0.824 19731 8215 1 8 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.344 1.315 19731 8216 1 8 . 1 1 114 114 HIS H H 114 7.472 7.472 7.648 -0.176 19731 8217 1 8 . 1 1 115 115 GLY N N 115 111.756 111.756 112.158 -0.402 19731 8218 1 8 . 1 1 115 115 GLY C C 115 175.298 175.298 174.911 0.387 19731 8219 1 8 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.321 2.587 19731 8220 1 8 . 1 1 115 115 GLY H H 115 8.472 8.472 8.947 -0.475 19731 8221 1 8 . 1 1 116 116 GLY N N 116 112.890 112.890 109.442 3.448 19731 8222 1 8 . 1 1 116 116 GLY C C 116 174.010 174.010 173.914 0.096 19731 8223 1 8 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.857 -1.139 19731 8224 1 8 . 1 1 116 116 GLY H H 116 11.124 11.124 8.039 3.085 19731 8225 1 8 . 1 1 117 117 HIS N N 117 124.702 124.702 118.005 6.697 19731 8226 1 8 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.739 -0.205 19731 8227 1 8 . 1 1 117 117 HIS C C 117 177.485 177.485 174.273 3.212 19731 8228 1 8 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.222 2.930 19731 8229 1 8 . 1 1 117 117 HIS CB C 117 32.422 32.422 32.776 -0.354 19731 8230 1 8 . 1 1 117 117 HIS H H 117 8.275 8.275 7.980 0.295 19731 8231 1 8 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.236 0.117 19731 8232 1 8 . 1 1 118 118 ASN C C 118 178.751 178.751 176.708 2.043 19731 8233 1 8 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.087 0.523 19731 8234 1 8 . 1 1 118 118 ASN CB C 118 38.214 38.214 37.995 0.220 19731 8235 1 8 . 1 1 119 119 GLY N N 119 112.608 112.608 106.877 5.731 19731 8236 1 8 . 1 1 119 119 GLY C C 119 177.163 177.163 175.965 1.198 19731 8237 1 8 . 1 1 119 119 GLY CA C 119 47.373 47.373 46.657 0.716 19731 8238 1 8 . 1 1 119 119 GLY H H 119 9.608 9.608 6.985 2.623 19731 8239 1 8 . 1 1 120 120 LEU N N 120 125.827 125.827 121.313 4.514 19731 8240 1 8 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.264 -0.291 19731 8241 1 8 . 1 1 120 120 LEU C C 120 178.729 178.729 178.580 0.149 19731 8242 1 8 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.461 1.479 19731 8243 1 8 . 1 1 120 120 LEU CB C 120 42.833 42.833 41.179 1.653 19731 8244 1 8 . 1 1 120 120 LEU H H 120 8.199 8.199 7.804 0.395 19731 8245 1 8 . 1 1 121 121 LYS N N 121 119.921 119.921 119.605 0.316 19731 8246 1 8 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.037 -0.356 19731 8247 1 8 . 1 1 121 121 LYS C C 121 178.708 178.708 178.684 0.024 19731 8248 1 8 . 1 1 121 121 LYS CA C 121 60.837 60.837 57.660 3.177 19731 8249 1 8 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.675 1.529 19731 8250 1 8 . 1 1 121 121 LYS H H 121 8.760 8.760 7.562 1.198 19731 8251 1 8 . 1 1 122 122 ASP N N 122 117.389 117.389 118.966 -1.577 19731 8252 1 8 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.331 0.219 19731 8253 1 8 . 1 1 122 122 ASP C C 122 178.107 178.107 177.937 0.170 19731 8254 1 8 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.858 0.317 19731 8255 1 8 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.791 2.903 19731 8256 1 8 . 1 1 122 122 ASP H H 122 7.245 7.245 8.384 -1.139 19731 8257 1 8 . 1 1 123 123 THR N N 123 116.546 116.546 113.072 3.474 19731 8258 1 8 . 1 1 123 123 THR HA H 123 3.830 3.830 3.986 -0.156 19731 8259 1 8 . 1 1 123 123 THR C C 123 174.696 174.696 176.517 -1.821 19731 8260 1 8 . 1 1 123 123 THR CA C 123 69.447 69.447 65.892 3.555 19731 8261 1 8 . 1 1 123 123 THR CB C 123 67.803 67.803 68.374 -0.571 19731 8262 1 8 . 1 1 123 123 THR H H 123 7.639 7.639 7.564 0.075 19731 8263 1 8 . 1 1 124 124 ILE N N 124 118.736 118.736 122.070 -3.334 19731 8264 1 8 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.502 0.891 19731 8265 1 8 . 1 1 124 124 ILE C C 124 179.051 179.051 177.956 1.095 19731 8266 1 8 . 1 1 124 124 ILE CA C 124 65.453 65.453 64.669 0.784 19731 8267 1 8 . 1 1 124 124 ILE CB C 124 39.578 39.578 37.324 2.254 19731 8268 1 8 . 1 1 124 124 ILE H H 124 8.078 8.078 7.246 0.832 19731 8269 1 8 . 1 1 125 125 SER N N 125 110.921 110.921 114.900 -3.979 19731 8270 1 8 . 1 1 125 125 SER HA H 125 4.177 4.177 4.107 0.070 19731 8271 1 8 . 1 1 125 125 SER C C 125 178.729 178.729 176.258 2.471 19731 8272 1 8 . 1 1 125 125 SER CA C 125 61.619 61.619 61.521 0.098 19731 8273 1 8 . 1 1 125 125 SER CB C 125 63.263 63.263 62.963 0.300 19731 8274 1 8 . 1 1 125 125 SER H H 125 7.397 7.397 8.302 -0.905 19731 8275 1 8 . 1 1 126 126 LYS N N 126 119.572 119.572 119.318 0.254 19731 8276 1 8 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.207 0.040 19731 8277 1 8 . 1 1 126 126 LYS C C 126 178.407 178.407 176.955 1.452 19731 8278 1 8 . 1 1 126 126 LYS CA C 126 58.019 58.019 57.174 0.845 19731 8279 1 8 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.464 -0.590 19731 8280 1 8 . 1 1 126 126 LYS H H 126 8.457 8.457 7.518 0.939 19731 8281 1 8 . 1 1 127 127 LEU N N 127 119.633 119.633 117.602 2.031 19731 8282 1 8 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.471 0.094 19731 8283 1 8 . 1 1 127 127 LEU C C 127 176.542 176.542 177.348 -0.806 19731 8284 1 8 . 1 1 127 127 LEU CA C 127 54.291 54.291 54.374 -0.083 19731 8285 1 8 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.542 -2.091 19731 8286 1 8 . 1 1 127 127 LEU H H 127 7.753 7.753 7.518 0.235 19731 8287 1 8 . 1 1 128 128 GLY N N 128 107.827 107.827 109.792 -1.965 19731 8288 1 8 . 1 1 128 128 GLY C C 128 179.094 179.094 173.919 5.175 19731 8289 1 8 . 1 1 128 128 GLY CA C 128 46.903 46.903 45.605 1.298 19731 8290 1 8 . 1 1 128 128 GLY H H 128 7.773 7.773 7.920 -0.147 19731 8291 1 8 . 1 1 129 129 ASN N N 129 115.879 115.879 122.666 -6.787 19731 8292 1 8 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.727 -0.375 19731 8293 1 8 . 1 1 129 129 ASN C C 129 175.028 175.028 174.599 0.429 19731 8294 1 8 . 1 1 129 129 ASN CA C 129 54.261 54.261 52.150 2.111 19731 8295 1 8 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.416 -1.376 19731 8296 1 8 . 1 1 129 129 ASN H H 129 8.246 8.246 8.571 -0.325 19731 8297 1 8 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.708 -0.014 19731 8298 1 8 . 1 1 131 131 LYS C C 131 178.450 178.450 176.014 2.436 19731 8299 1 8 . 1 1 131 131 LYS CA C 131 56.554 56.554 55.815 0.739 19731 8300 1 8 . 1 1 131 131 LYS CB C 131 33.204 33.204 32.782 0.422 19731 8301 1 8 . 1 1 132 132 GLU N N 132 119.297 119.297 119.778 -0.481 19731 8302 1 8 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.308 -0.435 19731 8303 1 8 . 1 1 132 132 GLU C C 132 175.318 175.318 175.972 -0.654 19731 8304 1 8 . 1 1 132 132 GLU CA C 132 56.923 56.923 55.623 1.300 19731 8305 1 8 . 1 1 132 132 GLU CB C 132 27.803 27.803 29.937 -2.134 19731 8306 1 8 . 1 1 132 132 GLU H H 132 8.699 8.699 8.327 0.372 19731 8307 1 8 . 1 1 133 133 PHE N N 133 114.296 114.296 118.837 -4.541 19731 8308 1 8 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.861 0.206 19731 8309 1 8 . 1 1 133 133 PHE C C 133 177.785 177.785 174.366 3.419 19731 8310 1 8 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.802 -0.601 19731 8311 1 8 . 1 1 133 133 PHE CB C 133 40.249 40.249 39.200 1.048 19731 8312 1 8 . 1 1 133 133 PHE H H 133 6.669 6.669 7.702 -1.033 19731 8313 1 8 . 1 1 134 134 TYR N N 134 121.046 121.046 123.506 -2.460 19731 8314 1 8 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.034 -0.061 19731 8315 1 8 . 1 1 134 134 TYR C C 134 176.219 176.219 175.458 0.761 19731 8316 1 8 . 1 1 134 134 TYR CA C 134 59.506 59.506 57.304 2.202 19731 8317 1 8 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.013 1.645 19731 8318 1 8 . 1 1 134 134 TYR H H 134 9.230 9.230 8.581 0.649 19731 8319 1 8 . 1 1 135 135 ARG N N 135 119.639 119.639 120.295 -0.656 19731 8320 1 8 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.496 0.412 19731 8321 1 8 . 1 1 135 135 ARG C C 135 174.353 174.353 173.907 0.446 19731 8322 1 8 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.057 -0.299 19731 8323 1 8 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.760 -1.573 19731 8324 1 8 . 1 1 135 135 ARG H H 135 9.896 9.896 8.631 1.265 19731 8325 1 8 . 1 1 136 136 LEU N N 136 126.108 126.108 120.150 5.958 19731 8326 1 8 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.583 -0.725 19731 8327 1 8 . 1 1 136 136 LEU C C 136 173.131 173.131 175.683 -2.552 19731 8328 1 8 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.491 1.240 19731 8329 1 8 . 1 1 136 136 LEU CB C 136 42.989 42.989 45.412 -2.423 19731 8330 1 8 . 1 1 136 136 LEU H H 136 8.601 8.601 9.237 -0.636 19731 8331 1 8 . 1 1 137 137 ARG N N 137 124.421 124.421 120.490 3.931 19731 8332 1 8 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.182 -1.642 19731 8333 1 8 . 1 1 137 137 ARG C C 137 174.010 174.010 175.034 -1.024 19731 8334 1 8 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.568 0.916 19731 8335 1 8 . 1 1 137 137 ARG CB C 137 32.265 32.265 33.349 -1.084 19731 8336 1 8 . 1 1 137 137 ARG H H 137 9.230 9.230 8.897 0.333 19731 8337 1 8 . 1 1 138 138 LEU N N 138 125.827 125.827 123.794 2.033 19731 8338 1 8 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.939 -0.490 19731 8339 1 8 . 1 1 138 138 LEU C C 138 175.940 175.940 176.951 -1.011 19731 8340 1 8 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.431 0.438 19731 8341 1 8 . 1 1 138 138 LEU CB C 138 41.580 41.580 42.756 -1.176 19731 8342 1 8 . 1 1 138 138 LEU H H 138 8.640 8.640 8.587 0.053 19731 8343 1 8 . 1 1 139 139 GLY N N 139 113.171 113.171 111.480 1.691 19731 8344 1 8 . 1 1 139 139 GLY C C 139 174.353 174.353 174.621 -0.268 19731 8345 1 8 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.418 3.364 19731 8346 1 8 . 1 1 139 139 GLY H H 139 8.578 8.578 9.129 -0.551 19731 8347 1 8 . 1 1 140 140 ILE N N 140 112.046 112.046 119.594 -7.548 19731 8348 1 8 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.619 0.142 19731 8349 1 8 . 1 1 140 140 ILE C C 140 178.707 178.707 175.481 3.226 19731 8350 1 8 . 1 1 140 140 ILE CA C 140 60.837 60.837 60.566 0.271 19731 8351 1 8 . 1 1 140 140 ILE CB C 140 42.050 42.050 39.735 2.315 19731 8352 1 8 . 1 1 140 140 ILE H H 140 8.125 8.125 7.711 0.414 19731 8353 1 8 . 1 1 141 141 GLY N N 141 116.265 116.265 107.858 8.407 19731 8354 1 8 . 1 1 141 141 GLY C C 141 167.232 167.232 172.329 -5.097 19731 8355 1 8 . 1 1 141 141 GLY CA C 141 45.416 45.416 43.690 1.726 19731 8356 1 8 . 1 1 141 141 GLY H H 141 9.411 9.411 7.714 1.697 19731 8357 1 8 . 1 1 142 142 HIS N N 142 113.452 113.452 117.131 -3.679 19731 8358 1 8 . 1 1 142 142 HIS HA H 142 4.365 4.365 5.003 -0.638 19731 8359 1 8 . 1 1 142 142 HIS C C 142 175.640 175.640 173.301 2.339 19731 8360 1 8 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.978 1.109 19731 8361 1 8 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.761 3.852 19731 8362 1 8 . 1 1 142 142 HIS H H 142 7.578 7.578 8.044 -0.466 19731 8363 1 8 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.580 0.043 19731 8364 1 8 . 1 1 143 143 PRO C C 143 176.842 176.842 176.203 0.639 19731 8365 1 8 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.001 -0.079 19731 8366 1 8 . 1 1 143 143 PRO CB C 143 32.828 32.828 30.903 1.925 19731 8367 1 8 . 1 1 144 144 GLY N N 144 106.468 106.468 111.149 -4.681 19731 8368 1 8 . 1 1 144 144 GLY C C 144 173.411 173.411 174.173 -0.762 19731 8369 1 8 . 1 1 144 144 GLY CA C 144 45.221 45.221 44.812 0.409 19731 8370 1 8 . 1 1 144 144 GLY H H 144 8.133 8.133 8.184 -0.051 19731 8371 1 8 . 1 1 145 145 HIS N N 145 117.271 117.271 122.019 -4.748 19731 8372 1 8 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.805 -0.271 19731 8373 1 8 . 1 1 145 145 HIS C C 145 176.636 176.636 176.581 0.055 19731 8374 1 8 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.163 1.916 19731 8375 1 8 . 1 1 145 145 HIS CB C 145 34.144 34.144 30.710 3.434 19731 8376 1 8 . 1 1 145 145 HIS H H 145 7.067 7.067 8.498 -1.431 19731 8377 1 8 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.016 0.226 19731 8378 1 8 . 1 1 146 146 LYS C C 146 178.429 178.429 177.572 0.857 19731 8379 1 8 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.265 0.282 19731 8380 1 8 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.106 0.160 19731 8381 1 8 . 1 1 147 147 ASP N N 147 122.171 122.171 115.315 6.856 19731 8382 1 8 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.587 0.050 19731 8383 1 8 . 1 1 147 147 ASP C C 147 177.442 177.442 176.929 0.513 19731 8384 1 8 . 1 1 147 147 ASP CA C 147 56.140 56.140 55.151 0.989 19731 8385 1 8 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.109 -0.016 19731 8386 1 8 . 1 1 147 147 ASP H H 147 10.805 10.805 8.597 2.208 19731 8387 1 8 . 1 1 148 148 LYS N N 148 116.546 116.546 120.178 -3.632 19731 8388 1 8 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.566 -0.052 19731 8389 1 8 . 1 1 148 148 LYS C C 148 177.163 177.163 177.617 -0.454 19731 8390 1 8 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.565 1.262 19731 8391 1 8 . 1 1 148 148 LYS CB C 148 34.613 34.613 32.416 2.197 19731 8392 1 8 . 1 1 148 148 LYS H H 148 7.775 7.775 7.647 0.128 19731 8393 1 8 . 1 1 149 149 VAL N N 149 121.046 121.046 118.005 3.041 19731 8394 1 8 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.571 -0.326 19731 8395 1 8 . 1 1 149 149 VAL C C 149 176.241 176.241 176.766 -0.525 19731 8396 1 8 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.294 2.901 19731 8397 1 8 . 1 1 149 149 VAL CB C 149 32.109 32.109 30.619 1.490 19731 8398 1 8 . 1 1 149 149 VAL H H 149 7.366 7.366 7.332 0.034 19731 8399 1 8 . 1 1 150 150 ALA N N 150 121.889 121.889 121.827 0.062 19731 8400 1 8 . 1 1 150 150 ALA HA H 150 4.049 4.049 4.072 -0.023 19731 8401 1 8 . 1 1 150 150 ALA C C 150 180.016 180.016 179.391 0.625 19731 8402 1 8 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.433 1.394 19731 8403 1 8 . 1 1 150 150 ALA CB C 150 17.627 17.627 18.203 -0.576 19731 8404 1 8 . 1 1 150 150 ALA H H 150 8.675 8.675 8.205 0.470 19731 8405 1 8 . 1 1 151 151 GLY N N 151 102.202 102.202 105.529 -3.327 19731 8406 1 8 . 1 1 151 151 GLY C C 151 175.919 175.919 175.257 0.662 19731 8407 1 8 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.517 -0.553 19731 8408 1 8 . 1 1 151 151 GLY H H 151 8.366 8.366 7.701 0.665 19731 8409 1 8 . 1 1 152 152 TYR N N 152 123.296 123.296 119.748 3.548 19731 8410 1 8 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.320 -0.089 19731 8411 1 8 . 1 1 152 152 TYR C C 152 179.694 179.694 178.419 1.275 19731 8412 1 8 . 1 1 152 152 TYR CA C 152 61.385 61.385 57.927 3.458 19731 8413 1 8 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.839 2.645 19731 8414 1 8 . 1 1 152 152 TYR H H 152 7.942 7.942 6.829 1.113 19731 8415 1 8 . 1 1 153 153 VAL N N 153 112.890 112.890 119.339 -6.449 19731 8416 1 8 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.838 0.190 19731 8417 1 8 . 1 1 153 153 VAL C C 153 175.620 175.620 175.492 0.128 19731 8418 1 8 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.219 -0.077 19731 8419 1 8 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.151 -1.060 19731 8420 1 8 . 1 1 153 153 VAL H H 153 8.618 8.618 8.072 0.546 19731 8421 1 8 . 1 1 154 154 LEU N N 154 117.108 117.108 110.805 6.303 19731 8422 1 8 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.692 0.025 19731 8423 1 8 . 1 1 154 154 LEU C C 154 175.297 175.297 176.028 -0.731 19731 8424 1 8 . 1 1 154 154 LEU CA C 154 53.948 53.948 52.924 1.024 19731 8425 1 8 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.085 -0.444 19731 8426 1 8 . 1 1 154 154 LEU H H 154 6.897 6.897 7.209 -0.312 19731 8427 1 8 . 1 1 155 155 GLY N N 155 107.827 107.827 108.951 -1.124 19731 8428 1 8 . 1 1 155 155 GLY C C 155 171.844 171.844 173.611 -1.767 19731 8429 1 8 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.975 -0.360 19731 8430 1 8 . 1 1 155 155 GLY H H 155 7.351 7.351 7.566 -0.215 19731 8431 1 8 . 1 1 156 156 LYS N N 156 118.233 118.233 120.610 -2.377 19731 8432 1 8 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.143 0.513 19731 8433 1 8 . 1 1 156 156 LYS C C 156 176.541 176.541 176.615 -0.074 19731 8434 1 8 . 1 1 156 156 LYS CA C 156 54.887 54.887 56.089 -1.202 19731 8435 1 8 . 1 1 156 156 LYS CB C 156 33.518 33.518 31.844 1.674 19731 8436 1 8 . 1 1 156 156 LYS H H 156 8.154 8.154 8.428 -0.274 19731 8437 1 8 . 1 1 157 157 ALA N N 157 130.608 130.608 130.126 0.482 19731 8438 1 8 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.445 -0.051 19731 8439 1 8 . 1 1 157 157 ALA C C 157 175.876 175.876 175.802 0.074 19731 8440 1 8 . 1 1 157 157 ALA CA C 157 50.895 50.895 50.230 0.665 19731 8441 1 8 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.568 -0.784 19731 8442 1 8 . 1 1 157 157 ALA H H 157 9.777 9.777 8.264 1.513 19731 8443 1 8 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.491 0.025 19731 8444 1 8 . 1 1 158 158 PRO C C 158 176.532 176.532 176.862 -0.330 19731 8445 1 8 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.254 -0.087 19731 8446 1 8 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.425 -0.083 19731 8447 1 8 . 1 1 159 159 ALA N N 159 123.733 123.733 124.124 -0.391 19731 8448 1 8 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.038 0.006 19731 8449 1 8 . 1 1 159 159 ALA C C 159 179.706 179.706 179.672 0.034 19731 8450 1 8 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.479 1.287 19731 8451 1 8 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.531 0.348 19731 8452 1 8 . 1 1 159 159 ALA H H 159 8.575 8.575 8.694 -0.119 19731 8453 1 8 . 1 1 160 160 LYS N N 160 116.796 116.796 116.687 0.109 19731 8454 1 8 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.036 0.121 19731 8455 1 8 . 1 1 160 160 LYS C C 160 179.115 179.115 177.846 1.269 19731 8456 1 8 . 1 1 160 160 LYS CA C 160 58.958 58.958 59.119 -0.161 19731 8457 1 8 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.832 -0.271 19731 8458 1 8 . 1 1 160 160 LYS H H 160 8.883 8.883 8.445 0.438 19731 8459 1 8 . 1 1 161 161 GLU N N 161 118.514 118.514 118.136 0.378 19731 8460 1 8 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.135 -0.021 19731 8461 1 8 . 1 1 161 161 GLU C C 161 178.707 178.707 178.748 -0.041 19731 8462 1 8 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.447 0.902 19731 8463 1 8 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.976 1.271 19731 8464 1 8 . 1 1 161 161 GLU H H 161 6.988 6.988 7.591 -0.603 19731 8465 1 8 . 1 1 162 162 GLN N N 162 120.202 120.202 118.329 1.873 19731 8466 1 8 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.033 -0.333 19731 8467 1 8 . 1 1 162 162 GLN C C 162 177.184 177.184 178.548 -1.364 19731 8468 1 8 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.298 -0.279 19731 8469 1 8 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.345 -0.071 19731 8470 1 8 . 1 1 162 162 GLN H H 162 8.988 8.988 8.365 0.623 19731 8471 1 8 . 1 1 163 163 GLU N N 163 117.952 117.952 120.092 -2.140 19731 8472 1 8 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.137 0.003 19731 8473 1 8 . 1 1 163 163 GLU C C 163 180.273 180.273 178.839 1.434 19731 8474 1 8 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.295 0.602 19731 8475 1 8 . 1 1 163 163 GLU CB C 163 29.760 29.760 28.782 0.978 19731 8476 1 8 . 1 1 163 163 GLU H H 163 8.063 8.063 8.416 -0.353 19731 8477 1 8 . 1 1 164 164 CYS N N 164 118.796 118.796 117.543 1.253 19731 8478 1 8 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.365 -0.225 19731 8479 1 8 . 1 1 164 164 CYS C C 164 176.562 176.562 176.338 0.224 19731 8480 1 8 . 1 1 164 164 CYS CA C 164 63.420 63.420 61.364 2.056 19731 8481 1 8 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.725 -0.409 19731 8482 1 8 . 1 1 164 164 CYS H H 164 7.306 7.306 7.762 -0.456 19731 8483 1 8 . 1 1 165 165 LEU N N 165 121.327 121.327 122.158 -0.831 19731 8484 1 8 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.161 0.136 19731 8485 1 8 . 1 1 165 165 LEU C C 165 179.029 179.029 178.193 0.836 19731 8486 1 8 . 1 1 165 165 LEU CA C 165 58.410 58.410 57.443 0.967 19731 8487 1 8 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.908 0.377 19731 8488 1 8 . 1 1 165 165 LEU H H 165 8.357 8.357 7.462 0.895 19731 8489 1 8 . 1 1 166 166 ASP N N 166 119.358 119.358 119.235 0.123 19731 8490 1 8 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.425 -0.194 19731 8491 1 8 . 1 1 166 166 ASP C C 166 179.029 179.029 178.021 1.008 19731 8492 1 8 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.532 -0.140 19731 8493 1 8 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.939 -1.238 19731 8494 1 8 . 1 1 166 166 ASP H H 166 9.169 9.169 8.579 0.590 19731 8495 1 8 . 1 1 167 167 ALA N N 167 122.171 122.171 121.595 0.576 19731 8496 1 8 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.149 0.173 19731 8497 1 8 . 1 1 167 167 ALA C C 167 180.616 180.616 179.171 1.445 19731 8498 1 8 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.182 -0.216 19731 8499 1 8 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.289 0.199 19731 8500 1 8 . 1 1 167 167 ALA H H 167 7.745 7.745 7.562 0.183 19731 8501 1 8 . 1 1 168 168 ALA N N 168 122.452 122.452 121.359 1.093 19731 8502 1 8 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.485 -0.421 19731 8503 1 8 . 1 1 168 168 ALA C C 168 180.917 180.917 179.818 1.099 19731 8504 1 8 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.639 0.796 19731 8505 1 8 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.145 -0.440 19731 8506 1 8 . 1 1 168 168 ALA H H 168 8.164 8.164 7.543 0.621 19731 8507 1 8 . 1 1 169 169 VAL N N 169 124.702 124.702 118.879 5.823 19731 8508 1 8 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.657 -0.215 19731 8509 1 8 . 1 1 169 169 VAL C C 169 177.442 177.442 177.463 -0.021 19731 8510 1 8 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.475 1.250 19731 8511 1 8 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.715 -0.076 19731 8512 1 8 . 1 1 169 169 VAL H H 169 9.052 9.052 7.451 1.601 19731 8513 1 8 . 1 1 170 170 ASP N N 170 119.358 119.358 120.241 -0.883 19731 8514 1 8 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.319 -0.084 19731 8515 1 8 . 1 1 170 170 ASP C C 170 178.750 178.750 178.213 0.537 19731 8516 1 8 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.860 0.002 19731 8517 1 8 . 1 1 170 170 ASP CB C 170 40.719 40.719 41.188 -0.469 19731 8518 1 8 . 1 1 170 170 ASP H H 170 8.139 8.139 7.638 0.501 19731 8519 1 8 . 1 1 171 171 GLU N N 171 119.639 119.639 118.659 0.980 19731 8520 1 8 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.759 0.383 19731 8521 1 8 . 1 1 171 171 GLU C C 171 179.050 179.050 178.858 0.192 19731 8522 1 8 . 1 1 171 171 GLU CA C 171 58.175 58.175 59.028 -0.853 19731 8523 1 8 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.604 -0.488 19731 8524 1 8 . 1 1 171 171 GLU H H 171 7.821 7.821 8.246 -0.425 19731 8525 1 8 . 1 1 172 172 SER N N 172 119.251 119.251 115.807 3.444 19731 8526 1 8 . 1 1 172 172 SER HA H 172 3.818 3.818 4.138 -0.320 19731 8527 1 8 . 1 1 172 172 SER C C 172 175.919 175.919 176.880 -0.961 19731 8528 1 8 . 1 1 172 172 SER CA C 172 64.594 64.594 62.197 2.397 19731 8529 1 8 . 1 1 172 172 SER CB C 172 62.794 62.794 62.964 -0.170 19731 8530 1 8 . 1 1 172 172 SER H H 172 8.457 8.457 7.818 0.639 19731 8531 1 8 . 1 1 173 173 VAL N N 173 121.889 121.889 117.580 4.309 19731 8532 1 8 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.846 -0.384 19731 8533 1 8 . 1 1 173 173 VAL C C 173 178.407 178.407 177.002 1.405 19731 8534 1 8 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.024 2.779 19731 8535 1 8 . 1 1 173 173 VAL CB C 173 31.404 31.404 30.867 0.537 19731 8536 1 8 . 1 1 173 173 VAL H H 173 8.316 8.316 7.478 0.838 19731 8537 1 8 . 1 1 174 174 ARG N N 174 118.796 118.796 120.379 -1.583 19731 8538 1 8 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.243 -0.111 19731 8539 1 8 . 1 1 174 174 ARG C C 174 180.938 180.938 178.474 2.464 19731 8540 1 8 . 1 1 174 174 ARG CA C 174 59.506 59.506 57.751 1.755 19731 8541 1 8 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.418 0.655 19731 8542 1 8 . 1 1 174 174 ARG H H 174 7.669 7.669 7.582 0.087 19731 8543 1 8 . 1 1 175 175 CYS N N 175 117.070 117.070 118.437 -1.367 19731 8544 1 8 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.245 0.082 19731 8545 1 8 . 1 1 175 175 CYS C C 175 176.541 176.541 176.724 -0.183 19731 8546 1 8 . 1 1 175 175 CYS CA C 175 64.437 64.437 61.757 2.680 19731 8547 1 8 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.467 0.788 19731 8548 1 8 . 1 1 175 175 CYS H H 175 8.649 8.649 8.406 0.243 19731 8549 1 8 . 1 1 176 176 LEU N N 176 125.264 125.264 120.866 4.398 19731 8550 1 8 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.913 0.167 19731 8551 1 8 . 1 1 176 176 LEU C C 176 178.450 178.450 179.202 -0.752 19731 8552 1 8 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.352 0.510 19731 8553 1 8 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.106 0.787 19731 8554 1 8 . 1 1 176 176 LEU H H 176 8.699 8.699 7.487 1.212 19731 8555 1 8 . 1 1 177 177 GLU N N 177 118.260 118.260 119.983 -1.723 19731 8556 1 8 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.005 -0.244 19731 8557 1 8 . 1 1 177 177 GLU C C 177 179.029 179.029 178.796 0.233 19731 8558 1 8 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.219 1.304 19731 8559 1 8 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.571 -0.359 19731 8560 1 8 . 1 1 177 177 GLU H H 177 7.533 7.533 7.576 -0.043 19731 8561 1 8 . 1 1 178 178 ILE N N 178 118.788 118.788 120.039 -1.251 19731 8562 1 8 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.767 -0.090 19731 8563 1 8 . 1 1 178 178 ILE C C 178 177.785 177.785 178.138 -0.353 19731 8564 1 8 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.769 1.373 19731 8565 1 8 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.887 1.640 19731 8566 1 8 . 1 1 178 178 ILE H H 178 7.384 7.384 7.624 -0.240 19731 8567 1 8 . 1 1 179 179 LEU N N 179 123.577 123.577 121.546 2.031 19731 8568 1 8 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.206 -0.506 19731 8569 1 8 . 1 1 179 179 LEU C C 179 178.129 178.129 179.316 -1.187 19731 8570 1 8 . 1 1 179 179 LEU CA C 179 58.645 58.645 57.977 0.668 19731 8571 1 8 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.114 -0.221 19731 8572 1 8 . 1 1 179 179 LEU H H 179 8.503 8.503 8.265 0.238 19731 8573 1 8 . 1 1 180 180 MET N N 180 113.171 113.171 114.314 -1.143 19731 8574 1 8 . 1 1 180 180 MET HA H 180 4.186 4.186 4.315 -0.129 19731 8575 1 8 . 1 1 180 180 MET C C 180 176.498 176.498 177.173 -0.675 19731 8576 1 8 . 1 1 180 180 MET CA C 180 55.905 55.905 57.732 -1.827 19731 8577 1 8 . 1 1 180 180 MET CB C 180 31.013 31.013 32.855 -1.842 19731 8578 1 8 . 1 1 180 180 MET H H 180 7.139 7.139 7.621 -0.482 19731 8579 1 8 . 1 1 181 181 LYS N N 181 117.952 117.952 117.339 0.613 19731 8580 1 8 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.317 -0.044 19731 8581 1 8 . 1 1 181 181 LYS C C 181 176.542 176.542 177.421 -0.879 19731 8582 1 8 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.618 1.105 19731 8583 1 8 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.412 1.515 19731 8584 1 8 . 1 1 181 181 LYS H H 181 7.665 7.665 7.452 0.213 19731 8585 1 8 . 1 1 182 182 ASP N N 182 116.827 116.827 116.634 0.193 19731 8586 1 8 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.864 0.056 19731 8587 1 8 . 1 1 182 182 ASP C C 182 177.485 177.485 175.284 2.201 19731 8588 1 8 . 1 1 182 182 ASP CA C 182 54.887 54.887 53.786 1.101 19731 8589 1 8 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.626 1.164 19731 8590 1 8 . 1 1 182 182 ASP H H 182 9.191 9.191 7.813 1.378 19731 8591 1 8 . 1 1 183 183 GLY N N 183 110.358 110.358 107.031 3.327 19731 8592 1 8 . 1 1 183 183 GLY C C 183 173.410 173.410 174.635 -1.225 19731 8593 1 8 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.461 0.180 19731 8594 1 8 . 1 1 183 183 GLY H H 183 7.745 7.745 7.423 0.322 19731 8595 1 8 . 1 1 184 184 LEU N N 184 118.796 118.796 117.545 1.251 19731 8596 1 8 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.177 -0.477 19731 8597 1 8 . 1 1 184 184 LEU C C 184 177.506 177.506 177.906 -0.400 19731 8598 1 8 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.667 0.743 19731 8599 1 8 . 1 1 184 184 LEU CB C 184 42.206 42.206 40.816 1.390 19731 8600 1 8 . 1 1 184 184 LEU H H 184 8.381 8.381 8.496 -0.115 19731 8601 1 8 . 1 1 185 185 THR N N 185 115.421 115.421 112.527 2.894 19731 8602 1 8 . 1 1 185 185 THR HA H 185 3.819 3.819 4.007 -0.188 19731 8603 1 8 . 1 1 185 185 THR C C 185 176.520 176.520 176.643 -0.123 19731 8604 1 8 . 1 1 185 185 THR CA C 185 67.021 67.021 65.755 1.266 19731 8605 1 8 . 1 1 185 185 THR CB C 185 68.351 68.351 68.085 0.266 19731 8606 1 8 . 1 1 185 185 THR H H 185 8.336 8.336 8.190 0.146 19731 8607 1 8 . 1 1 186 186 LYS N N 186 120.202 120.202 121.501 -1.299 19731 8608 1 8 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.136 -0.178 19731 8609 1 8 . 1 1 186 186 LYS C C 186 179.329 179.329 178.634 0.695 19731 8610 1 8 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.738 0.809 19731 8611 1 8 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.692 0.651 19731 8612 1 8 . 1 1 186 186 LYS H H 186 8.237 8.237 7.571 0.666 19731 8613 1 8 . 1 1 187 187 ALA N N 187 121.889 121.889 122.361 -0.472 19731 8614 1 8 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.029 -0.116 19731 8615 1 8 . 1 1 187 187 ALA C C 187 178.772 178.772 180.036 -1.264 19731 8616 1 8 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.189 0.716 19731 8617 1 8 . 1 1 187 187 ALA CB C 187 19.584 19.584 17.946 1.638 19731 8618 1 8 . 1 1 187 187 ALA H H 187 7.566 7.566 7.456 0.110 19731 8619 1 8 . 1 1 188 188 GLN N N 188 117.952 117.952 118.530 -0.578 19731 8620 1 8 . 1 1 188 188 GLN HA H 188 3.809 3.809 4.049 -0.240 19731 8621 1 8 . 1 1 188 188 GLN C C 188 176.863 176.863 178.542 -1.679 19731 8622 1 8 . 1 1 188 188 GLN CA C 188 59.036 59.036 59.169 -0.133 19731 8623 1 8 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.203 0.852 19731 8624 1 8 . 1 1 188 188 GLN H H 188 9.125 9.125 8.436 0.689 19731 8625 1 8 . 1 1 189 189 ASN N N 189 117.100 117.100 116.987 0.113 19731 8626 1 8 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.426 0.000 19731 8627 1 8 . 1 1 189 189 ASN C C 189 177.463 177.463 177.314 0.149 19731 8628 1 8 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.031 -0.361 19731 8629 1 8 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.573 -0.594 19731 8630 1 8 . 1 1 189 189 ASN H H 189 8.275 8.275 7.909 0.366 19731 8631 1 8 . 1 1 190 190 ARG N N 190 117.389 117.389 119.326 -1.937 19731 8632 1 8 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.215 0.280 19731 8633 1 8 . 1 1 190 190 ARG C C 190 178.428 178.428 179.408 -0.980 19731 8634 1 8 . 1 1 190 190 ARG CA C 190 59.036 59.036 58.305 0.731 19731 8635 1 8 . 1 1 190 190 ARG CB C 190 29.760 29.760 30.160 -0.400 19731 8636 1 8 . 1 1 190 190 ARG H H 190 7.230 7.230 7.983 -0.753 19731 8637 1 8 . 1 1 191 191 LEU N N 191 122.155 122.155 121.968 0.187 19731 8638 1 8 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.186 -0.046 19731 8639 1 8 . 1 1 191 191 LEU C C 191 179.373 179.373 178.878 0.495 19731 8640 1 8 . 1 1 191 191 LEU CA C 191 58.645 58.645 57.458 1.188 19731 8641 1 8 . 1 1 191 191 LEU CB C 191 41.502 41.502 42.161 -0.659 19731 8642 1 8 . 1 1 191 191 LEU H H 191 8.624 8.624 8.730 -0.106 19731 8643 1 8 . 1 1 192 192 HIS N N 192 113.452 113.452 114.474 -1.022 19731 8644 1 8 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.588 0.503 19731 8645 1 8 . 1 1 192 192 HIS C C 192 177.163 177.163 175.830 1.333 19731 8646 1 8 . 1 1 192 192 HIS CA C 192 57.001 57.001 58.145 -1.144 19731 8647 1 8 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.042 -1.691 19731 8648 1 8 . 1 1 192 192 HIS H H 192 9.017 9.017 8.260 0.757 19731 8649 1 8 . 1 1 193 193 THR N N 193 110.077 110.077 111.809 -1.732 19731 8650 1 8 . 1 1 193 193 THR HA H 193 4.499 4.499 4.451 0.048 19731 8651 1 8 . 1 1 193 193 THR C C 193 174.053 174.053 173.737 0.316 19731 8652 1 8 . 1 1 193 193 THR CA C 193 62.011 62.011 61.952 0.059 19731 8653 1 8 . 1 1 193 193 THR CB C 193 69.995 69.995 69.924 0.072 19731 8654 1 8 . 1 1 193 193 THR H H 193 7.632 7.632 7.409 0.223 19731 8655 1 8 . 1 1 194 194 PHE N N 194 124.702 124.702 125.705 -1.003 19731 8656 1 8 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.627 -0.178 19731 8657 1 8 . 1 1 194 194 PHE C C 194 175.640 175.640 173.326 2.314 19731 8658 1 8 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.090 2.182 19731 8659 1 8 . 1 1 194 194 PHE CB C 194 39.858 39.858 40.335 -0.477 19731 8660 1 8 . 1 1 194 194 PHE H H 194 7.722 7.722 7.696 0.026 19731 8661 1 8 . 1 1 195 195 LYS N N 195 128.639 128.639 126.432 2.207 19731 8662 1 8 . 1 1 195 195 LYS HA H 195 4.195 4.195 5.303 -1.108 19731 8663 1 8 . 1 1 195 195 LYS C C 195 174.032 174.032 174.229 -0.197 19731 8664 1 8 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.722 2.731 19731 8665 1 8 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.694 -0.767 19731 8666 1 8 . 1 1 195 195 LYS H H 195 7.615 7.615 7.790 -0.175 19731 8667 1 8 . 1 1 196 196 ALA N N 196 129.483 129.483 126.312 3.171 19731 8668 1 8 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.600 -0.321 19731 8669 1 8 . 1 1 196 196 ALA C C 196 175.619 175.619 176.165 -0.546 19731 8670 1 8 . 1 1 196 196 ALA CA C 196 52.148 52.148 51.382 0.766 19731 8671 1 8 . 1 1 196 196 ALA CB C 196 20.602 20.602 19.567 1.036 19731 8672 1 8 . 1 1 196 196 ALA H H 196 8.324 8.324 8.212 0.112 19731 8673 1 9 . 1 1 2 2 VAL N N 2 122.420 122.420 120.189 2.231 19731 8674 1 9 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.415 -0.248 19731 8675 1 9 . 1 1 2 2 VAL C C 2 175.919 175.919 175.521 0.398 19731 8676 1 9 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.857 0.310 19731 8677 1 9 . 1 1 2 2 VAL CB C 2 33.109 33.109 32.485 0.624 19731 8678 1 9 . 1 1 2 2 VAL H H 2 8.260 8.260 7.989 0.271 19731 8679 1 9 . 1 1 3 3 SER N N 3 119.915 119.915 120.394 -0.479 19731 8680 1 9 . 1 1 3 3 SER HA H 3 4.134 4.134 4.421 -0.287 19731 8681 1 9 . 1 1 3 3 SER C C 3 173.731 173.731 174.722 -0.991 19731 8682 1 9 . 1 1 3 3 SER CA C 3 58.253 58.253 59.604 -1.351 19731 8683 1 9 . 1 1 3 3 SER CB C 3 63.811 63.811 63.759 0.052 19731 8684 1 9 . 1 1 3 3 SER H H 3 8.381 8.381 8.662 -0.281 19731 8685 1 9 . 1 1 4 4 GLN N N 4 123.810 123.810 120.736 3.074 19731 8686 1 9 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.747 -0.278 19731 8687 1 9 . 1 1 4 4 GLN C C 4 174.067 174.067 173.729 0.338 19731 8688 1 9 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.280 0.198 19731 8689 1 9 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.101 0.293 19731 8690 1 9 . 1 1 4 4 GLN H H 4 8.412 8.412 8.207 0.205 19731 8691 1 9 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.361 -0.015 19731 8692 1 9 . 1 1 5 5 PRO C C 5 176.242 176.242 176.300 -0.058 19731 8693 1 9 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.180 2.148 19731 8694 1 9 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.273 0.274 19731 8695 1 9 . 1 1 6 6 ILE N N 6 114.232 114.232 118.473 -4.241 19731 8696 1 9 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.976 0.195 19731 8697 1 9 . 1 1 6 6 ILE C C 6 175.577 175.577 175.454 0.123 19731 8698 1 9 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.640 -3.604 19731 8699 1 9 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.462 0.222 19731 8700 1 9 . 1 1 6 6 ILE H H 6 7.745 7.745 8.286 -0.541 19731 8701 1 9 . 1 1 7 7 LYS N N 7 121.791 121.791 126.597 -4.806 19731 8702 1 9 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.450 0.038 19731 8703 1 9 . 1 1 7 7 LYS C C 7 175.898 175.898 176.249 -0.351 19731 8704 1 9 . 1 1 7 7 LYS CA C 7 56.766 56.766 57.067 -0.301 19731 8705 1 9 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.130 3.151 19731 8706 1 9 . 1 1 7 7 LYS H H 7 9.462 9.462 8.431 1.031 19731 8707 1 9 . 1 1 8 8 LEU N N 8 122.642 122.642 118.277 4.365 19731 8708 1 9 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.325 -0.138 19731 8709 1 9 . 1 1 8 8 LEU C C 8 171.543 171.543 174.096 -2.553 19731 8710 1 9 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.421 -0.202 19731 8711 1 9 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.953 -0.078 19731 8712 1 9 . 1 1 8 8 LEU H H 8 7.532 7.532 7.330 0.202 19731 8713 1 9 . 1 1 9 9 LEU N N 9 128.904 128.904 123.098 5.806 19731 8714 1 9 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.605 -0.054 19731 8715 1 9 . 1 1 9 9 LEU C C 9 173.410 173.410 174.675 -1.265 19731 8716 1 9 . 1 1 9 9 LEU CA C 9 53.063 53.063 51.894 1.169 19731 8717 1 9 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.220 1.343 19731 8718 1 9 . 1 1 9 9 LEU H H 9 8.900 8.900 9.188 -0.288 19731 8719 1 9 . 1 1 10 10 VAL N N 10 126.431 126.431 116.609 9.822 19731 8720 1 9 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.308 0.036 19731 8721 1 9 . 1 1 10 10 VAL C C 10 174.353 174.353 175.228 -0.875 19731 8722 1 9 . 1 1 10 10 VAL CA C 10 58.880 58.880 59.227 -0.347 19731 8723 1 9 . 1 1 10 10 VAL CB C 10 35.250 35.250 34.217 1.033 19731 8724 1 9 . 1 1 10 10 VAL H H 10 9.246 9.246 9.075 0.171 19731 8725 1 9 . 1 1 11 11 GLY N N 11 115.421 115.421 110.689 4.732 19731 8726 1 9 . 1 1 11 11 GLY C C 11 170.943 170.943 172.876 -1.933 19731 8727 1 9 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.766 1.406 19731 8728 1 9 . 1 1 11 11 GLY H H 11 8.738 8.738 8.723 0.015 19731 8729 1 9 . 1 1 12 12 LEU N N 12 119.415 119.415 125.064 -5.649 19731 8730 1 9 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.588 -0.372 19731 8731 1 9 . 1 1 12 12 LEU C C 12 176.498 176.498 175.459 1.039 19731 8732 1 9 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.409 1.340 19731 8733 1 9 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.438 -2.110 19731 8734 1 9 . 1 1 12 12 LEU H H 12 7.423 7.423 8.899 -1.476 19731 8735 1 9 . 1 1 13 13 ALA N N 13 121.608 121.608 124.610 -3.002 19731 8736 1 9 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.657 -0.289 19731 8737 1 9 . 1 1 13 13 ALA C C 13 177.463 177.463 175.611 1.852 19731 8738 1 9 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.889 1.885 19731 8739 1 9 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.662 3.979 19731 8740 1 9 . 1 1 13 13 ALA H H 13 8.627 8.627 8.417 0.210 19731 8741 1 9 . 1 1 14 14 ASN N N 14 116.827 116.827 118.004 -1.177 19731 8742 1 9 . 1 1 14 14 ASN HA H 14 4.404 4.404 5.110 -0.706 19731 8743 1 9 . 1 1 14 14 ASN C C 14 173.431 173.431 173.383 0.048 19731 8744 1 9 . 1 1 14 14 ASN CA C 14 51.052 51.052 51.169 -0.117 19731 8745 1 9 . 1 1 14 14 ASN CB C 14 40.484 40.484 39.366 1.118 19731 8746 1 9 . 1 1 14 14 ASN H H 14 8.896 8.896 8.468 0.428 19731 8747 1 9 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.302 0.055 19731 8748 1 9 . 1 1 17 17 PRO C C 17 179.073 179.073 177.812 1.261 19731 8749 1 9 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.492 0.680 19731 8750 1 9 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.056 -0.182 19731 8751 1 9 . 1 1 18 18 GLU N N 18 118.514 118.514 117.044 1.470 19731 8752 1 9 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.032 0.022 19731 8753 1 9 . 1 1 18 18 GLU C C 18 177.807 177.807 177.291 0.516 19731 8754 1 9 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.578 0.223 19731 8755 1 9 . 1 1 18 18 GLU CB C 18 28.429 28.429 29.017 -0.588 19731 8756 1 9 . 1 1 18 18 GLU H H 18 9.729 9.729 8.721 1.008 19731 8757 1 9 . 1 1 19 19 TYR N N 19 115.421 115.421 115.446 -0.025 19731 8758 1 9 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.797 -1.370 19731 8759 1 9 . 1 1 19 19 TYR C C 19 177.549 177.549 177.113 0.436 19731 8760 1 9 . 1 1 19 19 TYR CA C 19 58.332 58.332 57.941 0.391 19731 8761 1 9 . 1 1 19 19 TYR CB C 19 39.701 39.701 39.108 0.593 19731 8762 1 9 . 1 1 19 19 TYR H H 19 7.268 7.268 7.754 -0.486 19731 8763 1 9 . 1 1 20 20 ALA N N 20 123.858 123.858 123.026 0.832 19731 8764 1 9 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.450 -0.021 19731 8765 1 9 . 1 1 20 20 ALA C C 20 178.365 178.365 177.664 0.701 19731 8766 1 9 . 1 1 20 20 ALA CA C 20 55.983 55.983 54.052 1.931 19731 8767 1 9 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.406 1.335 19731 8768 1 9 . 1 1 20 20 ALA H H 20 7.245 7.245 7.500 -0.255 19731 8769 1 9 . 1 1 21 21 LYS N N 21 114.577 114.577 115.552 -0.975 19731 8770 1 9 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.224 0.559 19731 8771 1 9 . 1 1 21 21 LYS C C 21 176.541 176.541 176.257 0.284 19731 8772 1 9 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.344 -1.930 19731 8773 1 9 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.295 -0.186 19731 8774 1 9 . 1 1 21 21 LYS H H 21 8.894 8.894 7.940 0.954 19731 8775 1 9 . 1 1 22 22 THR N N 22 111.202 111.202 117.496 -6.294 19731 8776 1 9 . 1 1 22 22 THR HA H 22 4.495 4.495 4.520 -0.025 19731 8777 1 9 . 1 1 22 22 THR C C 22 175.277 175.277 174.898 0.379 19731 8778 1 9 . 1 1 22 22 THR CA C 22 61.306 61.306 62.597 -1.291 19731 8779 1 9 . 1 1 22 22 THR CB C 22 72.109 72.109 70.299 1.810 19731 8780 1 9 . 1 1 22 22 THR H H 22 7.927 7.927 7.832 0.095 19731 8781 1 9 . 1 1 23 23 ARG N N 23 119.639 119.639 124.951 -5.312 19731 8782 1 9 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.050 0.458 19731 8783 1 9 . 1 1 23 23 ARG C C 23 177.142 177.142 176.984 0.158 19731 8784 1 9 . 1 1 23 23 ARG CA C 23 60.993 60.993 57.578 3.415 19731 8785 1 9 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.192 1.682 19731 8786 1 9 . 1 1 23 23 ARG H H 23 8.245 8.245 8.669 -0.424 19731 8787 1 9 . 1 1 24 24 HIS N N 24 115.140 115.140 114.929 0.211 19731 8788 1 9 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.447 -0.519 19731 8789 1 9 . 1 1 24 24 HIS C C 24 173.109 173.109 175.830 -2.721 19731 8790 1 9 . 1 1 24 24 HIS CA C 24 53.870 53.870 57.377 -3.507 19731 8791 1 9 . 1 1 24 24 HIS CB C 24 29.003 29.003 29.473 -0.470 19731 8792 1 9 . 1 1 24 24 HIS H H 24 8.245 8.245 8.210 0.035 19731 8793 1 9 . 1 1 25 25 ASN N N 25 115.140 115.140 118.380 -3.240 19731 8794 1 9 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.572 0.189 19731 8795 1 9 . 1 1 25 25 ASN C C 25 175.234 175.234 174.816 0.418 19731 8796 1 9 . 1 1 25 25 ASN CA C 25 52.148 52.148 51.775 0.373 19731 8797 1 9 . 1 1 25 25 ASN CB C 25 38.214 38.214 37.626 0.588 19731 8798 1 9 . 1 1 25 25 ASN H H 25 7.661 7.661 8.044 -0.383 19731 8799 1 9 . 1 1 26 26 ALA N N 26 120.764 120.764 122.539 -1.775 19731 8800 1 9 . 1 1 26 26 ALA HA H 26 4.757 4.757 4.221 0.536 19731 8801 1 9 . 1 1 26 26 ALA C C 26 178.428 178.428 178.485 -0.057 19731 8802 1 9 . 1 1 26 26 ALA CA C 26 54.496 54.496 54.220 0.276 19731 8803 1 9 . 1 1 26 26 ALA CB C 26 18.410 18.410 19.335 -0.926 19731 8804 1 9 . 1 1 26 26 ALA H H 26 7.148 7.148 7.536 -0.388 19731 8805 1 9 . 1 1 27 27 GLY N N 27 100.254 100.254 105.537 -5.283 19731 8806 1 9 . 1 1 27 27 GLY C C 27 176.520 176.520 175.835 0.685 19731 8807 1 9 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.822 0.159 19731 8808 1 9 . 1 1 27 27 GLY H H 27 8.957 8.957 7.915 1.042 19731 8809 1 9 . 1 1 28 28 ALA N N 28 123.296 123.296 123.129 0.167 19731 8810 1 9 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.281 -0.091 19731 8811 1 9 . 1 1 28 28 ALA C C 28 179.373 179.373 178.097 1.276 19731 8812 1 9 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.345 2.247 19731 8813 1 9 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.473 -0.141 19731 8814 1 9 . 1 1 28 28 ALA H H 28 7.090 7.090 8.184 -1.094 19731 8815 1 9 . 1 1 29 29 TRP N N 29 117.952 117.952 120.868 -2.916 19731 8816 1 9 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.399 0.318 19731 8817 1 9 . 1 1 29 29 TRP C C 29 179.973 179.973 177.953 2.020 19731 8818 1 9 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.046 -2.184 19731 8819 1 9 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.470 -1.414 19731 8820 1 9 . 1 1 29 29 TRP H H 29 7.649 7.649 7.741 -0.092 19731 8821 1 9 . 1 1 30 30 VAL N N 30 116.082 116.082 115.148 0.934 19731 8822 1 9 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.757 -0.201 19731 8823 1 9 . 1 1 30 30 VAL C C 30 176.542 176.542 177.066 -0.524 19731 8824 1 9 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.525 0.635 19731 8825 1 9 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.013 1.017 19731 8826 1 9 . 1 1 30 30 VAL H H 30 7.263 7.263 7.547 -0.284 19731 8827 1 9 . 1 1 31 31 VAL N N 31 118.514 118.514 122.207 -3.693 19731 8828 1 9 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.522 -0.262 19731 8829 1 9 . 1 1 31 31 VAL C C 31 177.142 177.142 177.732 -0.590 19731 8830 1 9 . 1 1 31 31 VAL CA C 31 67.647 67.647 67.313 0.334 19731 8831 1 9 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.399 0.240 19731 8832 1 9 . 1 1 31 31 VAL H H 31 6.912 6.912 7.182 -0.270 19731 8833 1 9 . 1 1 32 32 GLU N N 32 117.882 117.882 119.079 -1.197 19731 8834 1 9 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.931 -0.140 19731 8835 1 9 . 1 1 32 32 GLU C C 32 179.715 179.715 178.658 1.057 19731 8836 1 9 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.241 0.813 19731 8837 1 9 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.336 0.737 19731 8838 1 9 . 1 1 32 32 GLU H H 32 9.069 9.069 7.817 1.252 19731 8839 1 9 . 1 1 33 33 GLU N N 33 120.202 120.202 120.846 -0.644 19731 8840 1 9 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.947 0.557 19731 8841 1 9 . 1 1 33 33 GLU C C 33 177.807 177.807 178.752 -0.945 19731 8842 1 9 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.839 -0.351 19731 8843 1 9 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.057 -0.080 19731 8844 1 9 . 1 1 33 33 GLU H H 33 7.967 7.967 7.430 0.537 19731 8845 1 9 . 1 1 34 34 LEU N N 34 121.046 121.046 119.815 1.231 19731 8846 1 9 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.959 0.064 19731 8847 1 9 . 1 1 34 34 LEU C C 34 178.429 178.429 178.903 -0.474 19731 8848 1 9 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.823 0.599 19731 8849 1 9 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.537 0.904 19731 8850 1 9 . 1 1 34 34 LEU H H 34 8.297 8.297 7.723 0.574 19731 8851 1 9 . 1 1 35 35 ALA N N 35 118.233 118.233 121.175 -2.942 19731 8852 1 9 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.910 -0.043 19731 8853 1 9 . 1 1 35 35 ALA C C 35 178.729 178.729 178.987 -0.258 19731 8854 1 9 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.214 0.456 19731 8855 1 9 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.047 -0.890 19731 8856 1 9 . 1 1 35 35 ALA H H 35 8.450 8.450 8.079 0.371 19731 8857 1 9 . 1 1 36 36 ARG N N 36 118.796 118.796 118.546 0.250 19731 8858 1 9 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.073 -0.033 19731 8859 1 9 . 1 1 36 36 ARG C C 36 181.217 181.217 178.406 2.811 19731 8860 1 9 . 1 1 36 36 ARG CA C 36 59.819 59.819 59.006 0.813 19731 8861 1 9 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.438 0.105 19731 8862 1 9 . 1 1 36 36 ARG H H 36 8.063 8.063 7.722 0.341 19731 8863 1 9 . 1 1 37 37 ILE N N 37 119.077 119.077 118.020 1.057 19731 8864 1 9 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.958 -0.207 19731 8865 1 9 . 1 1 37 37 ILE C C 37 177.443 177.443 177.809 -0.366 19731 8866 1 9 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.397 0.963 19731 8867 1 9 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.796 0.418 19731 8868 1 9 . 1 1 37 37 ILE H H 37 8.420 8.420 8.079 0.341 19731 8869 1 9 . 1 1 38 38 HIS N N 38 116.546 116.546 116.587 -0.041 19731 8870 1 9 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.598 -0.199 19731 8871 1 9 . 1 1 38 38 HIS C C 38 173.452 173.452 174.695 -1.243 19731 8872 1 9 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.207 1.029 19731 8873 1 9 . 1 1 38 38 HIS CB C 38 30.699 30.699 32.233 -1.534 19731 8874 1 9 . 1 1 38 38 HIS H H 38 7.635 7.635 7.796 -0.161 19731 8875 1 9 . 1 1 39 39 ASN N N 39 117.108 117.108 118.066 -0.958 19731 8876 1 9 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.476 -0.124 19731 8877 1 9 . 1 1 39 39 ASN C C 39 174.310 174.310 174.190 0.120 19731 8878 1 9 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.942 0.711 19731 8879 1 9 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.280 0.073 19731 8880 1 9 . 1 1 39 39 ASN H H 39 7.942 7.942 7.999 -0.057 19731 8881 1 9 . 1 1 40 40 VAL N N 40 119.921 119.921 118.397 1.524 19731 8882 1 9 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.117 0.099 19731 8883 1 9 . 1 1 40 40 VAL C C 40 175.361 175.361 175.891 -0.530 19731 8884 1 9 . 1 1 40 40 VAL CA C 40 61.776 61.776 62.909 -1.133 19731 8885 1 9 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.122 1.100 19731 8886 1 9 . 1 1 40 40 VAL H H 40 8.578 8.578 7.680 0.898 19731 8887 1 9 . 1 1 41 41 THR N N 41 123.878 123.878 122.530 1.348 19731 8888 1 9 . 1 1 41 41 THR HA H 41 4.231 4.231 4.328 -0.097 19731 8889 1 9 . 1 1 41 41 THR C C 41 174.033 174.033 174.361 -0.328 19731 8890 1 9 . 1 1 41 41 THR CA C 41 61.776 61.776 62.090 -0.314 19731 8891 1 9 . 1 1 41 41 THR CB C 41 69.525 69.525 68.682 0.843 19731 8892 1 9 . 1 1 41 41 THR H H 41 8.617 8.617 8.324 0.293 19731 8893 1 9 . 1 1 42 42 LEU N N 42 128.639 128.639 128.123 0.516 19731 8894 1 9 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.435 -0.098 19731 8895 1 9 . 1 1 42 42 LEU C C 42 175.919 175.919 177.064 -1.145 19731 8896 1 9 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.597 0.212 19731 8897 1 9 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.881 1.012 19731 8898 1 9 . 1 1 42 42 LEU H H 42 8.783 8.783 8.572 0.211 19731 8899 1 9 . 1 1 43 43 LYS N N 43 122.452 122.452 124.397 -1.945 19731 8900 1 9 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.658 -0.069 19731 8901 1 9 . 1 1 43 43 LYS C C 43 175.619 175.619 174.974 0.645 19731 8902 1 9 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.856 -0.360 19731 8903 1 9 . 1 1 43 43 LYS CB C 43 35.944 35.944 35.153 0.791 19731 8904 1 9 . 1 1 43 43 LYS H H 43 8.738 8.738 9.061 -0.323 19731 8905 1 9 . 1 1 44 44 ASN N N 44 123.014 123.014 123.163 -0.149 19731 8906 1 9 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.911 -0.331 19731 8907 1 9 . 1 1 44 44 ASN C C 44 174.718 174.718 175.227 -0.509 19731 8908 1 9 . 1 1 44 44 ASN CA C 44 54.484 54.484 52.893 1.591 19731 8909 1 9 . 1 1 44 44 ASN CB C 44 38.840 38.840 39.391 -0.551 19731 8910 1 9 . 1 1 44 44 ASN H H 44 8.906 8.906 8.808 0.098 19731 8911 1 9 . 1 1 45 45 GLU N N 45 128.921 128.921 122.936 5.985 19731 8912 1 9 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.761 -0.387 19731 8913 1 9 . 1 1 45 45 GLU C C 45 173.731 173.731 175.170 -1.439 19731 8914 1 9 . 1 1 45 45 GLU CA C 45 53.244 53.244 53.146 0.098 19731 8915 1 9 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.186 1.453 19731 8916 1 9 . 1 1 45 45 GLU H H 45 8.675 8.675 8.847 -0.172 19731 8917 1 9 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.265 -0.277 19731 8918 1 9 . 1 1 46 46 PRO C C 46 175.298 175.298 177.208 -1.910 19731 8919 1 9 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.436 0.548 19731 8920 1 9 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.762 0.268 19731 8921 1 9 . 1 1 47 47 LYS N N 47 115.793 115.793 117.170 -1.377 19731 8922 1 9 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.967 -0.449 19731 8923 1 9 . 1 1 47 47 LYS C C 47 174.998 174.998 177.681 -2.683 19731 8924 1 9 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.097 -0.235 19731 8925 1 9 . 1 1 47 47 LYS CB C 47 31.561 31.561 31.133 0.428 19731 8926 1 9 . 1 1 47 47 LYS H H 47 8.239 8.239 8.183 0.056 19731 8927 1 9 . 1 1 48 48 PHE N N 48 114.577 114.577 114.474 0.103 19731 8928 1 9 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.645 0.245 19731 8929 1 9 . 1 1 48 48 PHE C C 48 172.810 172.810 175.610 -2.800 19731 8930 1 9 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.537 -2.667 19731 8931 1 9 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.709 -0.008 19731 8932 1 9 . 1 1 48 48 PHE H H 48 7.398 7.398 7.039 0.359 19731 8933 1 9 . 1 1 49 49 PHE N N 49 110.358 110.358 116.994 -6.636 19731 8934 1 9 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.108 -0.256 19731 8935 1 9 . 1 1 49 49 PHE C C 49 175.298 175.298 173.550 1.748 19731 8936 1 9 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.940 -0.921 19731 8937 1 9 . 1 1 49 49 PHE CB C 49 36.431 36.431 38.450 -2.019 19731 8938 1 9 . 1 1 49 49 PHE H H 49 6.923 6.923 8.154 -1.231 19731 8939 1 9 . 1 1 50 50 GLY N N 50 136.915 136.915 104.106 32.809 19731 8940 1 9 . 1 1 50 50 GLY C C 50 170.643 170.643 171.908 -1.265 19731 8941 1 9 . 1 1 50 50 GLY CA C 50 47.138 47.138 43.603 3.535 19731 8942 1 9 . 1 1 50 50 GLY H H 50 6.836 6.836 7.582 -0.746 19731 8943 1 9 . 1 1 51 51 LEU N N 51 119.282 119.282 122.050 -2.768 19731 8944 1 9 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.782 0.055 19731 8945 1 9 . 1 1 51 51 LEU C C 51 177.164 177.164 175.291 1.873 19731 8946 1 9 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.242 -1.155 19731 8947 1 9 . 1 1 51 51 LEU CB C 51 44.163 44.163 44.057 0.106 19731 8948 1 9 . 1 1 51 51 LEU H H 51 8.692 8.692 8.505 0.187 19731 8949 1 9 . 1 1 52 52 THR N N 52 112.608 112.608 122.424 -9.816 19731 8950 1 9 . 1 1 52 52 THR HA H 52 5.529 5.529 5.628 -0.099 19731 8951 1 9 . 1 1 52 52 THR C C 52 173.732 173.732 172.957 0.775 19731 8952 1 9 . 1 1 52 52 THR CA C 52 59.036 59.036 59.437 -0.401 19731 8953 1 9 . 1 1 52 52 THR CB C 52 72.578 72.578 71.191 1.387 19731 8954 1 9 . 1 1 52 52 THR H H 52 9.230 9.230 9.235 -0.005 19731 8955 1 9 . 1 1 53 53 GLY N N 53 105.858 105.858 110.057 -4.199 19731 8956 1 9 . 1 1 53 53 GLY C C 53 171.545 171.545 171.414 0.131 19731 8957 1 9 . 1 1 53 53 GLY CA C 53 45.024 45.024 45.157 -0.133 19731 8958 1 9 . 1 1 53 53 GLY H H 53 7.881 7.881 8.939 -1.058 19731 8959 1 9 . 1 1 54 54 ARG N N 54 122.128 122.128 125.338 -3.210 19731 8960 1 9 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.447 0.414 19731 8961 1 9 . 1 1 54 54 ARG C C 54 172.767 172.767 174.584 -1.817 19731 8962 1 9 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.582 0.167 19731 8963 1 9 . 1 1 54 54 ARG CB C 54 32.813 32.813 29.958 2.855 19731 8964 1 9 . 1 1 54 54 ARG H H 54 8.627 8.627 8.639 -0.012 19731 8965 1 9 . 1 1 55 55 LEU N N 55 125.264 125.264 126.516 -1.252 19731 8966 1 9 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.404 0.180 19731 8967 1 9 . 1 1 55 55 LEU C C 55 174.011 174.011 175.437 -1.426 19731 8968 1 9 . 1 1 55 55 LEU CA C 55 54.105 54.105 52.989 1.116 19731 8969 1 9 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.360 0.882 19731 8970 1 9 . 1 1 55 55 LEU H H 55 8.968 8.968 8.750 0.218 19731 8971 1 9 . 1 1 56 56 LEU N N 56 123.577 123.577 123.743 -0.166 19731 8972 1 9 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.820 0.200 19731 8973 1 9 . 1 1 56 56 LEU C C 56 176.263 176.263 175.556 0.707 19731 8974 1 9 . 1 1 56 56 LEU CA C 56 53.688 53.688 53.773 -0.085 19731 8975 1 9 . 1 1 56 56 LEU CB C 56 43.694 43.694 43.803 -0.109 19731 8976 1 9 . 1 1 56 56 LEU H H 56 8.405 8.405 7.529 0.876 19731 8977 1 9 . 1 1 57 57 ILE N N 57 123.748 123.748 126.474 -2.726 19731 8978 1 9 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.350 -0.140 19731 8979 1 9 . 1 1 57 57 ILE C C 57 175.655 175.655 175.225 0.430 19731 8980 1 9 . 1 1 57 57 ILE CA C 57 60.132 60.132 60.214 -0.082 19731 8981 1 9 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.534 -0.050 19731 8982 1 9 . 1 1 57 57 ILE H H 57 8.617 8.617 8.966 -0.349 19731 8983 1 9 . 1 1 58 58 ASN N N 58 127.486 127.486 125.418 2.068 19731 8984 1 9 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.287 0.035 19731 8985 1 9 . 1 1 58 58 ASN C C 58 174.976 174.976 174.756 0.220 19731 8986 1 9 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.865 -1.099 19731 8987 1 9 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.813 -0.068 19731 8988 1 9 . 1 1 58 58 ASN H H 58 9.489 9.489 9.091 0.398 19731 8989 1 9 . 1 1 59 59 SER N N 59 106.702 106.702 115.756 -9.054 19731 8990 1 9 . 1 1 59 59 SER HA H 59 3.833 3.833 4.628 -0.795 19731 8991 1 9 . 1 1 59 59 SER C C 59 172.510 172.510 172.577 -0.067 19731 8992 1 9 . 1 1 59 59 SER CA C 59 60.445 60.445 58.436 2.009 19731 8993 1 9 . 1 1 59 59 SER CB C 59 62.246 62.246 65.269 -3.023 19731 8994 1 9 . 1 1 59 59 SER H H 59 8.664 8.664 8.298 0.366 19731 8995 1 9 . 1 1 60 60 GLN N N 60 120.764 120.764 121.201 -0.437 19731 8996 1 9 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.609 -0.119 19731 8997 1 9 . 1 1 60 60 GLN C C 60 174.310 174.310 173.455 0.855 19731 8998 1 9 . 1 1 60 60 GLN CA C 60 54.183 54.183 53.954 0.229 19731 8999 1 9 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.281 -1.111 19731 9000 1 9 . 1 1 60 60 GLN H H 60 7.925 7.925 8.016 -0.091 19731 9001 1 9 . 1 1 61 61 GLU N N 61 122.452 122.452 124.151 -1.699 19731 9002 1 9 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.743 -0.117 19731 9003 1 9 . 1 1 61 61 GLU C C 61 174.932 174.932 175.395 -0.463 19731 9004 1 9 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.386 0.441 19731 9005 1 9 . 1 1 61 61 GLU CB C 61 31.639 31.639 30.283 1.356 19731 9006 1 9 . 1 1 61 61 GLU H H 61 8.613 8.613 8.604 0.009 19731 9007 1 9 . 1 1 62 62 LEU N N 62 129.483 129.483 125.128 4.355 19731 9008 1 9 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.806 -0.323 19731 9009 1 9 . 1 1 62 62 LEU C C 62 175.276 175.276 176.414 -1.138 19731 9010 1 9 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.175 0.538 19731 9011 1 9 . 1 1 62 62 LEU CB C 62 45.416 45.416 42.919 2.497 19731 9012 1 9 . 1 1 62 62 LEU H H 62 9.131 9.131 8.897 0.234 19731 9013 1 9 . 1 1 63 63 ARG N N 63 125.546 125.546 123.932 1.614 19731 9014 1 9 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.094 -0.210 19731 9015 1 9 . 1 1 63 63 ARG C C 63 174.998 174.998 174.807 0.191 19731 9016 1 9 . 1 1 63 63 ARG CA C 63 55.983 55.983 55.385 0.598 19731 9017 1 9 . 1 1 63 63 ARG CB C 63 31.013 31.013 31.696 -0.683 19731 9018 1 9 . 1 1 63 63 ARG H H 63 7.802 7.802 9.056 -1.254 19731 9019 1 9 . 1 1 64 64 VAL N N 64 112.608 112.608 124.185 -11.577 19731 9020 1 9 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.385 0.455 19731 9021 1 9 . 1 1 64 64 VAL C C 64 174.353 174.353 173.819 0.534 19731 9022 1 9 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.621 -1.837 19731 9023 1 9 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.568 -0.641 19731 9024 1 9 . 1 1 64 64 VAL H H 64 8.199 8.199 8.927 -0.728 19731 9025 1 9 . 1 1 65 65 LEU N N 65 122.279 122.279 129.661 -7.382 19731 9026 1 9 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.596 -0.070 19731 9027 1 9 . 1 1 65 65 LEU C C 65 174.353 174.353 174.268 0.085 19731 9028 1 9 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.462 0.096 19731 9029 1 9 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.631 1.055 19731 9030 1 9 . 1 1 65 65 LEU H H 65 8.163 8.163 8.458 -0.295 19731 9031 1 9 . 1 1 66 66 ILE N N 66 126.952 126.952 125.179 1.773 19731 9032 1 9 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.263 -0.141 19731 9033 1 9 . 1 1 66 66 ILE C C 66 173.817 173.817 173.283 0.534 19731 9034 1 9 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.910 1.657 19731 9035 1 9 . 1 1 66 66 ILE CB C 66 41.815 41.815 42.198 -0.383 19731 9036 1 9 . 1 1 66 66 ILE H H 66 9.131 9.131 9.057 0.074 19731 9037 1 9 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.811 -0.303 19731 9038 1 9 . 1 1 67 67 PRO C C 67 177.786 177.786 177.311 0.475 19731 9039 1 9 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.374 0.829 19731 9040 1 9 . 1 1 67 67 PRO CB C 67 33.109 33.109 31.797 1.312 19731 9041 1 9 . 1 1 68 68 THR N N 68 115.421 115.421 116.034 -0.613 19731 9042 1 9 . 1 1 68 68 THR HA H 68 4.370 4.370 4.271 0.099 19731 9043 1 9 . 1 1 68 68 THR C C 68 174.054 174.054 175.607 -1.553 19731 9044 1 9 . 1 1 68 68 THR CA C 68 60.445 60.445 64.975 -4.529 19731 9045 1 9 . 1 1 68 68 THR CB C 68 67.177 67.177 68.866 -1.689 19731 9046 1 9 . 1 1 68 68 THR H H 68 9.645 9.645 8.254 1.391 19731 9047 1 9 . 1 1 69 69 THR N N 69 110.954 110.954 120.642 -9.688 19731 9048 1 9 . 1 1 69 69 THR HA H 69 4.065 4.065 4.305 -0.240 19731 9049 1 9 . 1 1 69 69 THR C C 69 177.184 177.184 174.229 2.955 19731 9050 1 9 . 1 1 69 69 THR CA C 69 62.011 62.011 63.147 -1.136 19731 9051 1 9 . 1 1 69 69 THR CB C 69 71.013 71.013 68.141 2.872 19731 9052 1 9 . 1 1 69 69 THR H H 69 7.063 7.063 8.229 -1.166 19731 9053 1 9 . 1 1 70 70 PHE N N 70 111.483 111.483 122.925 -11.442 19731 9054 1 9 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.482 -0.226 19731 9055 1 9 . 1 1 70 70 PHE C C 70 179.029 179.029 175.131 3.898 19731 9056 1 9 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.151 4.408 19731 9057 1 9 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.094 0.277 19731 9058 1 9 . 1 1 70 70 PHE H H 70 8.033 8.033 8.003 0.030 19731 9059 1 9 . 1 1 71 71 MET N N 71 121.809 121.809 117.678 4.131 19731 9060 1 9 . 1 1 71 71 MET HA H 71 4.055 4.055 4.086 -0.031 19731 9061 1 9 . 1 1 71 71 MET C C 71 179.372 179.372 177.509 1.863 19731 9062 1 9 . 1 1 71 71 MET CA C 71 58.488 58.488 58.352 0.136 19731 9063 1 9 . 1 1 71 71 MET CB C 71 31.036 31.036 32.995 -1.958 19731 9064 1 9 . 1 1 71 71 MET H H 71 8.671 8.671 7.603 1.068 19731 9065 1 9 . 1 1 72 72 ASN N N 72 115.648 115.648 117.847 -2.199 19731 9066 1 9 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.763 -0.606 19731 9067 1 9 . 1 1 72 72 ASN C C 72 173.454 173.454 176.874 -3.420 19731 9068 1 9 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.511 -0.703 19731 9069 1 9 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.913 -2.108 19731 9070 1 9 . 1 1 72 72 ASN H H 72 8.817 8.817 8.070 0.747 19731 9071 1 9 . 1 1 73 73 LEU N N 73 119.077 119.077 118.776 0.301 19731 9072 1 9 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.388 0.585 19731 9073 1 9 . 1 1 73 73 LEU C C 73 177.485 177.485 178.179 -0.694 19731 9074 1 9 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.194 -1.324 19731 9075 1 9 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.461 2.076 19731 9076 1 9 . 1 1 73 73 LEU H H 73 7.362 7.362 8.062 -0.700 19731 9077 1 9 . 1 1 74 74 SER N N 74 114.067 114.067 117.294 -3.227 19731 9078 1 9 . 1 1 74 74 SER HA H 74 4.084 4.084 4.347 -0.263 19731 9079 1 9 . 1 1 74 74 SER C C 74 175.640 175.640 176.335 -0.695 19731 9080 1 9 . 1 1 74 74 SER CA C 74 63.498 63.498 61.316 2.182 19731 9081 1 9 . 1 1 74 74 SER CB C 74 66.081 66.081 62.922 3.159 19731 9082 1 9 . 1 1 74 74 SER H H 74 7.499 7.499 8.114 -0.615 19731 9083 1 9 . 1 1 75 75 GLY N N 75 107.827 107.827 109.064 -1.237 19731 9084 1 9 . 1 1 75 75 GLY C C 75 174.954 174.954 176.072 -1.118 19731 9085 1 9 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.486 1.512 19731 9086 1 9 . 1 1 75 75 GLY H H 75 10.017 10.017 8.437 1.580 19731 9087 1 9 . 1 1 76 76 LYS N N 76 120.250 120.250 121.478 -1.228 19731 9088 1 9 . 1 1 76 76 LYS HA H 76 3.973 3.973 4.003 -0.030 19731 9089 1 9 . 1 1 76 76 LYS C C 76 179.051 179.051 178.229 0.822 19731 9090 1 9 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.529 -0.258 19731 9091 1 9 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.331 0.481 19731 9092 1 9 . 1 1 76 76 LYS H H 76 7.975 7.975 7.582 0.393 19731 9093 1 9 . 1 1 77 77 ALA N N 77 121.046 121.046 121.843 -0.797 19731 9094 1 9 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.362 0.076 19731 9095 1 9 . 1 1 77 77 ALA C C 77 177.463 177.463 179.572 -2.109 19731 9096 1 9 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.075 -0.109 19731 9097 1 9 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.512 2.246 19731 9098 1 9 . 1 1 77 77 ALA H H 77 6.824 6.824 7.529 -0.705 19731 9099 1 9 . 1 1 78 78 ILE N N 78 115.422 115.422 117.956 -2.534 19731 9100 1 9 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.652 -0.530 19731 9101 1 9 . 1 1 78 78 ILE C C 78 177.163 177.163 177.652 -0.489 19731 9102 1 9 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.414 1.432 19731 9103 1 9 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.561 1.593 19731 9104 1 9 . 1 1 78 78 ILE H H 78 7.124 7.124 7.333 -0.209 19731 9105 1 9 . 1 1 79 79 ALA N N 79 117.952 117.952 123.778 -5.826 19731 9106 1 9 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.875 0.061 19731 9107 1 9 . 1 1 79 79 ALA C C 79 179.329 179.329 179.192 0.137 19731 9108 1 9 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.368 -0.324 19731 9109 1 9 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.954 0.456 19731 9110 1 9 . 1 1 79 79 ALA H H 79 8.644 8.644 8.181 0.463 19731 9111 1 9 . 1 1 80 80 ALA N N 80 118.796 118.796 120.365 -1.569 19731 9112 1 9 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.207 0.100 19731 9113 1 9 . 1 1 80 80 ALA C C 80 180.616 180.616 179.483 1.133 19731 9114 1 9 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.751 0.841 19731 9115 1 9 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.525 0.198 19731 9116 1 9 . 1 1 80 80 ALA H H 80 7.442 7.442 7.581 -0.139 19731 9117 1 9 . 1 1 81 81 LEU N N 81 119.878 119.878 120.831 -0.953 19731 9118 1 9 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.874 -0.270 19731 9119 1 9 . 1 1 81 81 LEU C C 81 178.750 178.750 178.554 0.196 19731 9120 1 9 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.752 1.519 19731 9121 1 9 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.330 1.268 19731 9122 1 9 . 1 1 81 81 LEU H H 81 7.953 7.953 7.433 0.520 19731 9123 1 9 . 1 1 82 82 ALA N N 82 120.764 120.764 119.727 1.037 19731 9124 1 9 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.944 -0.061 19731 9125 1 9 . 1 1 82 82 ALA C C 82 180.273 180.273 179.503 0.770 19731 9126 1 9 . 1 1 82 82 ALA CA C 82 56.140 56.140 55.161 0.979 19731 9127 1 9 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.025 -0.789 19731 9128 1 9 . 1 1 82 82 ALA H H 82 8.906 8.906 8.462 0.444 19731 9129 1 9 . 1 1 83 83 ASN N N 83 113.733 113.733 118.109 -4.376 19731 9130 1 9 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.527 -0.001 19731 9131 1 9 . 1 1 83 83 ASN C C 83 178.085 178.085 177.625 0.460 19731 9132 1 9 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.209 -0.382 19731 9133 1 9 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.930 -0.559 19731 9134 1 9 . 1 1 83 83 ASN H H 83 8.644 8.644 7.737 0.907 19731 9135 1 9 . 1 1 84 84 PHE N N 84 121.327 121.327 118.353 2.974 19731 9136 1 9 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.441 -0.380 19731 9137 1 9 . 1 1 84 84 PHE C C 84 177.164 177.164 176.928 0.236 19731 9138 1 9 . 1 1 84 84 PHE CA C 84 62.089 62.089 59.646 2.443 19731 9139 1 9 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.783 1.623 19731 9140 1 9 . 1 1 84 84 PHE H H 84 7.621 7.621 8.354 -0.733 19731 9141 1 9 . 1 1 85 85 TYR N N 85 112.890 112.890 117.134 -4.244 19731 9142 1 9 . 1 1 85 85 TYR HA H 85 4.507 4.507 3.996 0.511 19731 9143 1 9 . 1 1 85 85 TYR C C 85 173.732 173.732 174.850 -1.118 19731 9144 1 9 . 1 1 85 85 TYR CA C 85 59.193 59.193 59.224 -0.031 19731 9145 1 9 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.804 1.115 19731 9146 1 9 . 1 1 85 85 TYR H H 85 7.578 7.578 7.230 0.348 19731 9147 1 9 . 1 1 86 86 GLN N N 86 117.671 117.671 114.274 3.397 19731 9148 1 9 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.954 -0.011 19731 9149 1 9 . 1 1 86 86 GLN C C 86 174.675 174.675 174.763 -0.088 19731 9150 1 9 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.541 0.695 19731 9151 1 9 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.475 -0.629 19731 9152 1 9 . 1 1 86 86 GLN H H 86 7.691 7.691 7.323 0.368 19731 9153 1 9 . 1 1 87 87 ILE N N 87 122.171 122.171 118.772 3.399 19731 9154 1 9 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.148 -0.151 19731 9155 1 9 . 1 1 87 87 ILE C C 87 175.597 175.597 175.950 -0.353 19731 9156 1 9 . 1 1 87 87 ILE CA C 87 61.619 61.619 58.755 2.864 19731 9157 1 9 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.831 2.653 19731 9158 1 9 . 1 1 87 87 ILE H H 87 8.786 8.786 7.550 1.236 19731 9159 1 9 . 1 1 88 88 LYS N N 88 128.639 128.639 127.482 1.157 19731 9160 1 9 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.522 -0.601 19731 9161 1 9 . 1 1 88 88 LYS CA C 88 54.887 54.887 54.748 0.140 19731 9162 1 9 . 1 1 88 88 LYS CB C 88 31.639 31.639 32.050 -0.411 19731 9163 1 9 . 1 1 88 88 LYS H H 88 8.957 8.957 8.296 0.661 19731 9164 1 9 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.183 -0.163 19731 9165 1 9 . 1 1 89 89 PRO C C 89 176.542 176.542 177.621 -1.079 19731 9166 1 9 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.529 0.768 19731 9167 1 9 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.648 0.055 19731 9168 1 9 . 1 1 90 90 GLU N N 90 111.202 111.202 115.421 -4.219 19731 9169 1 9 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.250 0.058 19731 9170 1 9 . 1 1 90 90 GLU C C 90 176.241 176.241 177.381 -1.140 19731 9171 1 9 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.458 0.578 19731 9172 1 9 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.851 -0.343 19731 9173 1 9 . 1 1 90 90 GLU H H 90 9.328 9.328 8.321 1.007 19731 9174 1 9 . 1 1 91 91 GLU N N 91 116.265 116.265 117.158 -0.893 19731 9175 1 9 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.705 0.227 19731 9176 1 9 . 1 1 91 91 GLU C C 91 175.254 175.254 175.000 0.254 19731 9177 1 9 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.395 -0.742 19731 9178 1 9 . 1 1 91 91 GLU CB C 91 30.856 30.856 31.072 -0.216 19731 9179 1 9 . 1 1 91 91 GLU H H 91 8.101 8.101 8.261 -0.160 19731 9180 1 9 . 1 1 92 92 ILE N N 92 122.683 122.683 120.779 1.904 19731 9181 1 9 . 1 1 92 92 ILE HA H 92 4.234 4.234 5.082 -0.848 19731 9182 1 9 . 1 1 92 92 ILE C C 92 173.710 173.710 174.394 -0.684 19731 9183 1 9 . 1 1 92 92 ILE CA C 92 60.837 60.837 58.984 1.853 19731 9184 1 9 . 1 1 92 92 ILE CB C 92 40.171 40.171 40.352 -0.181 19731 9185 1 9 . 1 1 92 92 ILE H H 92 8.042 8.042 7.546 0.496 19731 9186 1 9 . 1 1 93 93 MET N N 93 125.264 125.264 126.603 -1.339 19731 9187 1 9 . 1 1 93 93 MET HA H 93 5.215 5.215 5.503 -0.288 19731 9188 1 9 . 1 1 93 93 MET C C 93 173.454 173.454 174.004 -0.550 19731 9189 1 9 . 1 1 93 93 MET CA C 93 53.322 53.322 53.821 -0.499 19731 9190 1 9 . 1 1 93 93 MET CB C 93 36.570 36.570 37.163 -0.594 19731 9191 1 9 . 1 1 93 93 MET H H 93 9.187 9.187 8.117 1.070 19731 9192 1 9 . 1 1 94 94 VAL N N 94 128.639 128.639 123.479 5.160 19731 9193 1 9 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.264 -0.666 19731 9194 1 9 . 1 1 94 94 VAL C C 94 174.675 174.675 174.074 0.601 19731 9195 1 9 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.064 1.242 19731 9196 1 9 . 1 1 94 94 VAL CB C 94 33.518 33.518 35.647 -2.129 19731 9197 1 9 . 1 1 94 94 VAL H H 94 9.406 9.406 8.490 0.916 19731 9198 1 9 . 1 1 95 95 ALA N N 95 132.577 132.577 126.871 5.706 19731 9199 1 9 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.610 0.125 19731 9200 1 9 . 1 1 95 95 ALA C C 95 175.640 175.640 175.622 0.018 19731 9201 1 9 . 1 1 95 95 ALA CA C 95 50.191 50.191 49.999 0.192 19731 9202 1 9 . 1 1 95 95 ALA CB C 95 20.210 20.210 22.060 -1.850 19731 9203 1 9 . 1 1 95 95 ALA H H 95 10.008 10.008 9.135 0.873 19731 9204 1 9 . 1 1 96 96 HIS N N 96 119.077 119.077 119.207 -0.130 19731 9205 1 9 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.034 0.313 19731 9206 1 9 . 1 1 96 96 HIS C C 96 171.543 171.543 173.280 -1.737 19731 9207 1 9 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.766 -0.896 19731 9208 1 9 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.641 -0.063 19731 9209 1 9 . 1 1 96 96 HIS H H 96 8.972 8.972 8.183 0.789 19731 9210 1 9 . 1 1 97 97 ASP N N 97 115.983 115.983 120.113 -4.130 19731 9211 1 9 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.500 0.195 19731 9212 1 9 . 1 1 97 97 ASP C C 97 178.064 178.064 175.152 2.912 19731 9213 1 9 . 1 1 97 97 ASP CA C 97 53.635 53.635 53.638 -0.003 19731 9214 1 9 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.403 -0.154 19731 9215 1 9 . 1 1 97 97 ASP H H 97 10.517 10.517 8.493 2.024 19731 9216 1 9 . 1 1 98 98 GLU N N 98 127.233 127.233 123.652 3.581 19731 9217 1 9 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.639 0.516 19731 9218 1 9 . 1 1 98 98 GLU C C 98 174.932 174.932 176.585 -1.653 19731 9219 1 9 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.060 -1.425 19731 9220 1 9 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.050 0.390 19731 9221 1 9 . 1 1 98 98 GLU H H 98 9.194 9.194 7.822 1.372 19731 9222 1 9 . 1 1 99 99 LEU N N 99 132.858 132.858 121.983 10.875 19731 9223 1 9 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.451 0.175 19731 9224 1 9 . 1 1 99 99 LEU C C 99 178.128 178.128 177.247 0.881 19731 9225 1 9 . 1 1 99 99 LEU CA C 99 57.001 57.001 56.093 0.908 19731 9226 1 9 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.959 2.596 19731 9227 1 9 . 1 1 99 99 LEU H H 99 8.692 8.692 8.624 0.068 19731 9228 1 9 . 1 1 100 100 ASP N N 100 113.733 113.733 119.660 -5.927 19731 9229 1 9 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.528 0.083 19731 9230 1 9 . 1 1 100 100 ASP C C 100 175.276 175.276 176.602 -1.326 19731 9231 1 9 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.468 -0.502 19731 9232 1 9 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.123 -0.247 19731 9233 1 9 . 1 1 100 100 ASP H H 100 9.191 9.191 8.209 0.982 19731 9234 1 9 . 1 1 101 101 LEU N N 101 119.932 119.932 121.811 -1.879 19731 9235 1 9 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.757 0.044 19731 9236 1 9 . 1 1 101 101 LEU C C 101 172.522 172.522 174.277 -1.755 19731 9237 1 9 . 1 1 101 101 LEU CA C 101 51.365 51.365 52.155 -0.790 19731 9238 1 9 . 1 1 101 101 LEU CB C 101 45.338 45.338 42.809 2.529 19731 9239 1 9 . 1 1 101 101 LEU H H 101 7.427 7.427 7.287 0.140 19731 9240 1 9 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.498 -0.017 19731 9241 1 9 . 1 1 103 103 PRO C C 103 178.429 178.429 177.439 0.990 19731 9242 1 9 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.246 -0.324 19731 9243 1 9 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.520 -0.098 19731 9244 1 9 . 1 1 104 104 GLY N N 104 113.733 113.733 112.482 1.251 19731 9245 1 9 . 1 1 104 104 GLY C C 104 172.144 172.144 174.063 -1.919 19731 9246 1 9 . 1 1 104 104 GLY CA C 104 45.964 45.964 44.912 1.052 19731 9247 1 9 . 1 1 104 104 GLY H H 104 9.826 9.826 8.544 1.282 19731 9248 1 9 . 1 1 105 105 VAL N N 105 116.265 116.265 117.150 -0.885 19731 9249 1 9 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.439 -0.735 19731 9250 1 9 . 1 1 105 105 VAL C C 105 174.654 174.654 173.958 0.696 19731 9251 1 9 . 1 1 105 105 VAL CA C 105 60.523 60.523 58.924 1.599 19731 9252 1 9 . 1 1 105 105 VAL CB C 105 34.927 34.927 33.907 1.020 19731 9253 1 9 . 1 1 105 105 VAL H H 105 7.518 7.518 7.294 0.224 19731 9254 1 9 . 1 1 106 106 ALA N N 106 129.764 129.764 122.205 7.559 19731 9255 1 9 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.447 -0.032 19731 9256 1 9 . 1 1 106 106 ALA C C 106 174.954 174.954 175.892 -0.938 19731 9257 1 9 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.458 1.063 19731 9258 1 9 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.727 1.006 19731 9259 1 9 . 1 1 106 106 ALA H H 106 9.484 9.484 8.473 1.011 19731 9260 1 9 . 1 1 107 107 LYS N N 107 113.733 113.733 119.809 -6.076 19731 9261 1 9 . 1 1 107 107 LYS HA H 107 4.921 4.921 5.011 -0.090 19731 9262 1 9 . 1 1 107 107 LYS C C 107 176.262 176.262 174.571 1.691 19731 9263 1 9 . 1 1 107 107 LYS CA C 107 54.574 54.574 54.946 -0.372 19731 9264 1 9 . 1 1 107 107 LYS CB C 107 39.623 39.623 37.168 2.455 19731 9265 1 9 . 1 1 107 107 LYS H H 107 8.184 8.184 8.321 -0.137 19731 9266 1 9 . 1 1 108 108 PHE N N 108 122.733 122.733 125.899 -3.166 19731 9267 1 9 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.579 1.442 19731 9268 1 9 . 1 1 108 108 PHE C C 108 177.828 177.828 174.529 3.299 19731 9269 1 9 . 1 1 108 108 PHE CA C 108 56.688 56.688 58.324 -1.636 19731 9270 1 9 . 1 1 108 108 PHE CB C 108 42.128 42.128 40.861 1.267 19731 9271 1 9 . 1 1 108 108 PHE H H 108 11.610 11.610 8.815 2.795 19731 9272 1 9 . 1 1 109 109 LYS N N 109 122.733 122.733 125.729 -2.996 19731 9273 1 9 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.402 0.201 19731 9274 1 9 . 1 1 109 109 LYS C C 109 173.152 173.152 173.669 -0.517 19731 9275 1 9 . 1 1 109 109 LYS CA C 109 56.218 56.218 54.774 1.444 19731 9276 1 9 . 1 1 109 109 LYS CB C 109 38.449 38.449 35.067 3.382 19731 9277 1 9 . 1 1 109 109 LYS H H 109 9.275 9.275 7.536 1.739 19731 9278 1 9 . 1 1 110 110 GLN N N 110 126.952 126.952 125.569 1.383 19731 9279 1 9 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.343 -0.217 19731 9280 1 9 . 1 1 110 110 GLN C C 110 175.040 175.040 175.392 -0.352 19731 9281 1 9 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.975 0.916 19731 9282 1 9 . 1 1 110 110 GLN CB C 110 29.447 29.447 31.295 -1.848 19731 9283 1 9 . 1 1 110 110 GLN H H 110 8.910 8.910 8.618 0.292 19731 9284 1 9 . 1 1 111 111 GLY N N 111 113.910 113.910 114.474 -0.564 19731 9285 1 9 . 1 1 111 111 GLY C C 111 171.543 171.543 172.076 -0.533 19731 9286 1 9 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.597 0.036 19731 9287 1 9 . 1 1 111 111 GLY H H 111 7.170 7.170 7.870 -0.700 19731 9288 1 9 . 1 1 112 112 GLY N N 112 102.365 102.365 108.839 -6.474 19731 9289 1 9 . 1 1 112 112 GLY C C 112 174.954 174.954 173.409 1.545 19731 9290 1 9 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.610 -1.229 19731 9291 1 9 . 1 1 112 112 GLY H H 112 7.634 7.634 7.855 -0.221 19731 9292 1 9 . 1 1 113 113 GLY N N 113 104.247 104.247 107.518 -3.271 19731 9293 1 9 . 1 1 113 113 GLY C C 113 174.737 174.737 173.834 0.903 19731 9294 1 9 . 1 1 113 113 GLY CA C 113 44.405 44.405 45.200 -0.795 19731 9295 1 9 . 1 1 113 113 GLY H H 113 8.109 8.109 8.333 -0.224 19731 9296 1 9 . 1 1 114 114 HIS N N 114 114.133 114.133 121.242 -7.109 19731 9297 1 9 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.501 0.020 19731 9298 1 9 . 1 1 114 114 HIS CA C 114 55.197 55.197 55.999 -0.802 19731 9299 1 9 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.080 1.579 19731 9300 1 9 . 1 1 114 114 HIS H H 114 7.472 7.472 8.554 -1.082 19731 9301 1 9 . 1 1 115 115 GLY N N 115 111.756 111.756 112.894 -1.138 19731 9302 1 9 . 1 1 115 115 GLY C C 115 175.298 175.298 174.488 0.810 19731 9303 1 9 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.359 2.549 19731 9304 1 9 . 1 1 115 115 GLY H H 115 8.472 8.472 8.232 0.240 19731 9305 1 9 . 1 1 116 116 GLY N N 116 112.890 112.890 109.804 3.086 19731 9306 1 9 . 1 1 116 116 GLY C C 116 174.010 174.010 173.649 0.361 19731 9307 1 9 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.297 -0.579 19731 9308 1 9 . 1 1 116 116 GLY H H 116 11.124 11.124 8.472 2.652 19731 9309 1 9 . 1 1 117 117 HIS N N 117 124.702 124.702 120.027 4.675 19731 9310 1 9 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.757 -0.223 19731 9311 1 9 . 1 1 117 117 HIS C C 117 177.485 177.485 174.259 3.226 19731 9312 1 9 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.489 2.663 19731 9313 1 9 . 1 1 117 117 HIS CB C 117 32.422 32.422 33.377 -0.955 19731 9314 1 9 . 1 1 117 117 HIS H H 117 8.275 8.275 7.853 0.422 19731 9315 1 9 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.437 -0.084 19731 9316 1 9 . 1 1 118 118 ASN C C 118 178.751 178.751 177.222 1.529 19731 9317 1 9 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.537 0.073 19731 9318 1 9 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.746 -0.532 19731 9319 1 9 . 1 1 119 119 GLY N N 119 112.608 112.608 108.435 4.173 19731 9320 1 9 . 1 1 119 119 GLY C C 119 177.163 177.163 176.337 0.826 19731 9321 1 9 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.409 -0.036 19731 9322 1 9 . 1 1 119 119 GLY H H 119 9.608 9.608 8.158 1.450 19731 9323 1 9 . 1 1 120 120 LEU N N 120 125.827 125.827 122.203 3.624 19731 9324 1 9 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.179 -0.206 19731 9325 1 9 . 1 1 120 120 LEU C C 120 178.729 178.729 179.214 -0.485 19731 9326 1 9 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.813 1.127 19731 9327 1 9 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.485 2.348 19731 9328 1 9 . 1 1 120 120 LEU H H 120 8.199 8.199 7.850 0.349 19731 9329 1 9 . 1 1 121 121 LYS N N 121 119.921 119.921 121.126 -1.205 19731 9330 1 9 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.032 -0.351 19731 9331 1 9 . 1 1 121 121 LYS C C 121 178.708 178.708 179.278 -0.570 19731 9332 1 9 . 1 1 121 121 LYS CA C 121 60.837 60.837 59.365 1.472 19731 9333 1 9 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.725 1.479 19731 9334 1 9 . 1 1 121 121 LYS H H 121 8.760 8.760 8.183 0.577 19731 9335 1 9 . 1 1 122 122 ASP N N 122 117.389 117.389 118.711 -1.322 19731 9336 1 9 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.517 0.033 19731 9337 1 9 . 1 1 122 122 ASP C C 122 178.107 178.107 178.890 -0.783 19731 9338 1 9 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.300 0.875 19731 9339 1 9 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.657 3.037 19731 9340 1 9 . 1 1 122 122 ASP H H 122 7.245 7.245 8.212 -0.967 19731 9341 1 9 . 1 1 123 123 THR N N 123 116.546 116.546 117.735 -1.189 19731 9342 1 9 . 1 1 123 123 THR HA H 123 3.830 3.830 3.905 -0.075 19731 9343 1 9 . 1 1 123 123 THR C C 123 174.696 174.696 176.519 -1.823 19731 9344 1 9 . 1 1 123 123 THR CA C 123 69.447 69.447 66.817 2.630 19731 9345 1 9 . 1 1 123 123 THR CB C 123 67.803 67.803 68.706 -0.903 19731 9346 1 9 . 1 1 123 123 THR H H 123 7.639 7.639 7.966 -0.327 19731 9347 1 9 . 1 1 124 124 ILE N N 124 118.736 118.736 121.320 -2.584 19731 9348 1 9 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.840 0.553 19731 9349 1 9 . 1 1 124 124 ILE C C 124 179.051 179.051 178.385 0.666 19731 9350 1 9 . 1 1 124 124 ILE CA C 124 65.453 65.453 63.086 2.367 19731 9351 1 9 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.652 2.926 19731 9352 1 9 . 1 1 124 124 ILE H H 124 8.078 8.078 8.001 0.077 19731 9353 1 9 . 1 1 125 125 SER N N 125 110.921 110.921 116.421 -5.500 19731 9354 1 9 . 1 1 125 125 SER HA H 125 4.177 4.177 4.149 0.028 19731 9355 1 9 . 1 1 125 125 SER C C 125 178.729 178.729 175.950 2.779 19731 9356 1 9 . 1 1 125 125 SER CA C 125 61.619 61.619 61.485 0.134 19731 9357 1 9 . 1 1 125 125 SER CB C 125 63.263 63.263 63.157 0.106 19731 9358 1 9 . 1 1 125 125 SER H H 125 7.397 7.397 8.171 -0.774 19731 9359 1 9 . 1 1 126 126 LYS N N 126 119.572 119.572 119.842 -0.270 19731 9360 1 9 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.316 -0.069 19731 9361 1 9 . 1 1 126 126 LYS C C 126 178.407 178.407 177.798 0.609 19731 9362 1 9 . 1 1 126 126 LYS CA C 126 58.019 58.019 57.725 0.294 19731 9363 1 9 . 1 1 126 126 LYS CB C 126 31.874 31.874 33.567 -1.693 19731 9364 1 9 . 1 1 126 126 LYS H H 126 8.457 8.457 7.697 0.760 19731 9365 1 9 . 1 1 127 127 LEU N N 127 119.633 119.633 117.394 2.239 19731 9366 1 9 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.684 -0.119 19731 9367 1 9 . 1 1 127 127 LEU C C 127 176.542 176.542 177.665 -1.123 19731 9368 1 9 . 1 1 127 127 LEU CA C 127 54.291 54.291 54.114 0.177 19731 9369 1 9 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.882 -2.430 19731 9370 1 9 . 1 1 127 127 LEU H H 127 7.753 7.753 8.494 -0.741 19731 9371 1 9 . 1 1 128 128 GLY N N 128 107.827 107.827 108.895 -1.068 19731 9372 1 9 . 1 1 128 128 GLY C C 128 179.094 179.094 174.625 4.469 19731 9373 1 9 . 1 1 128 128 GLY CA C 128 46.903 46.903 46.489 0.414 19731 9374 1 9 . 1 1 128 128 GLY H H 128 7.773 7.773 7.714 0.059 19731 9375 1 9 . 1 1 129 129 ASN N N 129 115.879 115.879 116.882 -1.003 19731 9376 1 9 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.710 -0.358 19731 9377 1 9 . 1 1 129 129 ASN C C 129 175.028 175.028 175.350 -0.322 19731 9378 1 9 . 1 1 129 129 ASN CA C 129 54.261 54.261 53.572 0.689 19731 9379 1 9 . 1 1 129 129 ASN CB C 129 37.040 37.040 39.269 -2.229 19731 9380 1 9 . 1 1 129 129 ASN H H 129 8.246 8.246 8.179 0.067 19731 9381 1 9 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.323 0.371 19731 9382 1 9 . 1 1 131 131 LYS C C 131 178.450 178.450 175.981 2.469 19731 9383 1 9 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.594 -0.040 19731 9384 1 9 . 1 1 131 131 LYS CB C 131 33.204 33.204 31.569 1.635 19731 9385 1 9 . 1 1 132 132 GLU N N 132 119.297 119.297 118.841 0.456 19731 9386 1 9 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.215 -0.342 19731 9387 1 9 . 1 1 132 132 GLU C C 132 175.318 175.318 176.109 -0.791 19731 9388 1 9 . 1 1 132 132 GLU CA C 132 56.923 56.923 54.854 2.069 19731 9389 1 9 . 1 1 132 132 GLU CB C 132 27.803 27.803 31.048 -3.245 19731 9390 1 9 . 1 1 132 132 GLU H H 132 8.699 8.699 7.932 0.767 19731 9391 1 9 . 1 1 133 133 PHE N N 133 114.296 114.296 119.466 -5.170 19731 9392 1 9 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.433 0.634 19731 9393 1 9 . 1 1 133 133 PHE C C 133 177.785 177.785 174.457 3.328 19731 9394 1 9 . 1 1 133 133 PHE CA C 133 55.201 55.201 57.145 -1.944 19731 9395 1 9 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.752 1.497 19731 9396 1 9 . 1 1 133 133 PHE H H 133 6.669 6.669 7.498 -0.829 19731 9397 1 9 . 1 1 134 134 TYR N N 134 121.046 121.046 121.550 -0.504 19731 9398 1 9 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.021 -0.048 19731 9399 1 9 . 1 1 134 134 TYR C C 134 176.219 176.219 175.986 0.233 19731 9400 1 9 . 1 1 134 134 TYR CA C 134 59.506 59.506 57.617 1.889 19731 9401 1 9 . 1 1 134 134 TYR CB C 134 41.658 41.658 39.738 1.920 19731 9402 1 9 . 1 1 134 134 TYR H H 134 9.230 9.230 7.911 1.319 19731 9403 1 9 . 1 1 135 135 ARG N N 135 119.639 119.639 121.167 -1.528 19731 9404 1 9 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.327 0.581 19731 9405 1 9 . 1 1 135 135 ARG C C 135 174.353 174.353 174.567 -0.214 19731 9406 1 9 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.318 -0.560 19731 9407 1 9 . 1 1 135 135 ARG CB C 135 32.187 32.187 32.917 -0.730 19731 9408 1 9 . 1 1 135 135 ARG H H 135 9.896 9.896 8.393 1.503 19731 9409 1 9 . 1 1 136 136 LEU N N 136 126.108 126.108 119.987 6.121 19731 9410 1 9 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.113 -0.255 19731 9411 1 9 . 1 1 136 136 LEU C C 136 173.131 173.131 176.176 -3.045 19731 9412 1 9 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.559 1.172 19731 9413 1 9 . 1 1 136 136 LEU CB C 136 42.989 42.989 43.909 -0.920 19731 9414 1 9 . 1 1 136 136 LEU H H 136 8.601 8.601 9.110 -0.509 19731 9415 1 9 . 1 1 137 137 ARG N N 137 124.421 124.421 118.601 5.820 19731 9416 1 9 . 1 1 137 137 ARG HA H 137 3.540 3.540 4.653 -1.113 19731 9417 1 9 . 1 1 137 137 ARG C C 137 174.010 174.010 175.647 -1.637 19731 9418 1 9 . 1 1 137 137 ARG CA C 137 54.484 54.484 54.478 0.006 19731 9419 1 9 . 1 1 137 137 ARG CB C 137 32.265 32.265 32.312 -0.047 19731 9420 1 9 . 1 1 137 137 ARG H H 137 9.230 9.230 8.994 0.236 19731 9421 1 9 . 1 1 138 138 LEU N N 138 125.827 125.827 123.256 2.571 19731 9422 1 9 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.740 -0.291 19731 9423 1 9 . 1 1 138 138 LEU C C 138 175.940 175.940 177.079 -1.139 19731 9424 1 9 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.487 0.383 19731 9425 1 9 . 1 1 138 138 LEU CB C 138 41.580 41.580 43.694 -2.114 19731 9426 1 9 . 1 1 138 138 LEU H H 138 8.640 8.640 7.892 0.748 19731 9427 1 9 . 1 1 139 139 GLY N N 139 113.171 113.171 112.222 0.949 19731 9428 1 9 . 1 1 139 139 GLY C C 139 174.353 174.353 174.569 -0.216 19731 9429 1 9 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.677 3.105 19731 9430 1 9 . 1 1 139 139 GLY H H 139 8.578 8.578 9.202 -0.624 19731 9431 1 9 . 1 1 140 140 ILE N N 140 112.046 112.046 120.208 -8.162 19731 9432 1 9 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.492 0.269 19731 9433 1 9 . 1 1 140 140 ILE C C 140 178.707 178.707 175.428 3.279 19731 9434 1 9 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.006 1.831 19731 9435 1 9 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.535 3.515 19731 9436 1 9 . 1 1 140 140 ILE H H 140 8.125 8.125 7.836 0.289 19731 9437 1 9 . 1 1 141 141 GLY N N 141 116.265 116.265 109.788 6.477 19731 9438 1 9 . 1 1 141 141 GLY C C 141 167.232 167.232 172.661 -5.429 19731 9439 1 9 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.334 1.082 19731 9440 1 9 . 1 1 141 141 GLY H H 141 9.411 9.411 7.614 1.797 19731 9441 1 9 . 1 1 142 142 HIS N N 142 113.452 113.452 120.766 -7.314 19731 9442 1 9 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.948 -0.583 19731 9443 1 9 . 1 1 142 142 HIS C C 142 175.640 175.640 172.908 2.732 19731 9444 1 9 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.781 1.306 19731 9445 1 9 . 1 1 142 142 HIS CB C 142 34.613 34.613 29.436 5.177 19731 9446 1 9 . 1 1 142 142 HIS H H 142 7.578 7.578 8.076 -0.498 19731 9447 1 9 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.489 0.134 19731 9448 1 9 . 1 1 143 143 PRO C C 143 176.842 176.842 177.177 -0.335 19731 9449 1 9 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.055 -0.133 19731 9450 1 9 . 1 1 143 143 PRO CB C 143 32.828 32.828 32.442 0.386 19731 9451 1 9 . 1 1 144 144 GLY N N 144 106.468 106.468 106.743 -0.275 19731 9452 1 9 . 1 1 144 144 GLY C C 144 173.411 173.411 173.222 0.189 19731 9453 1 9 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.043 0.178 19731 9454 1 9 . 1 1 144 144 GLY H H 144 8.133 8.133 8.341 -0.208 19731 9455 1 9 . 1 1 145 145 HIS N N 145 117.271 117.271 123.201 -5.930 19731 9456 1 9 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.773 -0.239 19731 9457 1 9 . 1 1 145 145 HIS C C 145 176.636 176.636 176.091 0.545 19731 9458 1 9 . 1 1 145 145 HIS CA C 145 57.079 57.079 56.081 0.998 19731 9459 1 9 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.168 2.976 19731 9460 1 9 . 1 1 145 145 HIS H H 145 7.067 7.067 8.750 -1.683 19731 9461 1 9 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.063 0.179 19731 9462 1 9 . 1 1 146 146 LYS C C 146 178.429 178.429 178.378 0.051 19731 9463 1 9 . 1 1 146 146 LYS CA C 146 59.547 59.547 58.914 0.633 19731 9464 1 9 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.466 -0.200 19731 9465 1 9 . 1 1 147 147 ASP N N 147 122.171 122.171 120.111 2.060 19731 9466 1 9 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.435 0.202 19731 9467 1 9 . 1 1 147 147 ASP C C 147 177.442 177.442 177.226 0.216 19731 9468 1 9 . 1 1 147 147 ASP CA C 147 56.140 56.140 57.183 -1.043 19731 9469 1 9 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.886 -0.793 19731 9470 1 9 . 1 1 147 147 ASP H H 147 10.805 10.805 8.845 1.960 19731 9471 1 9 . 1 1 148 148 LYS N N 148 116.546 116.546 118.757 -2.211 19731 9472 1 9 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.511 0.003 19731 9473 1 9 . 1 1 148 148 LYS C C 148 177.163 177.163 176.754 0.409 19731 9474 1 9 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.978 0.849 19731 9475 1 9 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.330 3.283 19731 9476 1 9 . 1 1 148 148 LYS H H 148 7.775 7.775 7.705 0.070 19731 9477 1 9 . 1 1 149 149 VAL N N 149 121.046 121.046 119.398 1.648 19731 9478 1 9 . 1 1 149 149 VAL HA H 149 3.245 3.245 2.831 0.414 19731 9479 1 9 . 1 1 149 149 VAL C C 149 176.241 176.241 176.629 -0.388 19731 9480 1 9 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.356 2.839 19731 9481 1 9 . 1 1 149 149 VAL CB C 149 32.109 32.109 30.855 1.254 19731 9482 1 9 . 1 1 149 149 VAL H H 149 7.366 7.366 7.252 0.114 19731 9483 1 9 . 1 1 150 150 ALA N N 150 121.889 121.889 121.283 0.606 19731 9484 1 9 . 1 1 150 150 ALA HA H 150 4.049 4.049 4.073 -0.024 19731 9485 1 9 . 1 1 150 150 ALA C C 150 180.016 180.016 178.360 1.656 19731 9486 1 9 . 1 1 150 150 ALA CA C 150 55.827 55.827 53.527 2.300 19731 9487 1 9 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.998 -0.371 19731 9488 1 9 . 1 1 150 150 ALA H H 150 8.675 8.675 7.993 0.682 19731 9489 1 9 . 1 1 151 151 GLY N N 151 102.202 102.202 104.977 -2.775 19731 9490 1 9 . 1 1 151 151 GLY C C 151 175.919 175.919 176.250 -0.331 19731 9491 1 9 . 1 1 151 151 GLY CA C 151 45.964 45.964 45.674 0.290 19731 9492 1 9 . 1 1 151 151 GLY H H 151 8.366 8.366 7.662 0.704 19731 9493 1 9 . 1 1 152 152 TYR N N 152 123.296 123.296 121.537 1.759 19731 9494 1 9 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.361 -0.130 19731 9495 1 9 . 1 1 152 152 TYR C C 152 179.694 179.694 178.071 1.623 19731 9496 1 9 . 1 1 152 152 TYR CA C 152 61.385 61.385 57.979 3.406 19731 9497 1 9 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.534 2.950 19731 9498 1 9 . 1 1 152 152 TYR H H 152 7.942 7.942 7.025 0.917 19731 9499 1 9 . 1 1 153 153 VAL N N 153 112.890 112.890 114.040 -1.150 19731 9500 1 9 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.940 0.088 19731 9501 1 9 . 1 1 153 153 VAL C C 153 175.620 175.620 175.313 0.307 19731 9502 1 9 . 1 1 153 153 VAL CA C 153 65.142 65.142 64.659 0.483 19731 9503 1 9 . 1 1 153 153 VAL CB C 153 31.091 31.091 31.132 -0.041 19731 9504 1 9 . 1 1 153 153 VAL H H 153 8.618 8.618 8.067 0.551 19731 9505 1 9 . 1 1 154 154 LEU N N 154 117.108 117.108 111.806 5.302 19731 9506 1 9 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.804 -0.087 19731 9507 1 9 . 1 1 154 154 LEU C C 154 175.297 175.297 175.962 -0.665 19731 9508 1 9 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.280 0.668 19731 9509 1 9 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.512 -0.871 19731 9510 1 9 . 1 1 154 154 LEU H H 154 6.897 6.897 7.125 -0.228 19731 9511 1 9 . 1 1 155 155 GLY N N 155 107.827 107.827 108.556 -0.729 19731 9512 1 9 . 1 1 155 155 GLY C C 155 171.844 171.844 173.000 -1.156 19731 9513 1 9 . 1 1 155 155 GLY CA C 155 43.615 43.615 43.999 -0.384 19731 9514 1 9 . 1 1 155 155 GLY H H 155 7.351 7.351 7.708 -0.357 19731 9515 1 9 . 1 1 156 156 LYS N N 156 118.233 118.233 121.228 -2.995 19731 9516 1 9 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.585 0.071 19731 9517 1 9 . 1 1 156 156 LYS C C 156 176.541 176.541 176.838 -0.297 19731 9518 1 9 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.876 -0.989 19731 9519 1 9 . 1 1 156 156 LYS CB C 156 33.518 33.518 32.473 1.045 19731 9520 1 9 . 1 1 156 156 LYS H H 156 8.154 8.154 8.450 -0.296 19731 9521 1 9 . 1 1 157 157 ALA N N 157 130.608 130.608 130.795 -0.187 19731 9522 1 9 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.584 -0.190 19731 9523 1 9 . 1 1 157 157 ALA C C 157 175.876 175.876 175.441 0.435 19731 9524 1 9 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.685 1.210 19731 9525 1 9 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.192 -0.408 19731 9526 1 9 . 1 1 157 157 ALA H H 157 9.777 9.777 8.381 1.396 19731 9527 1 9 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.379 0.137 19731 9528 1 9 . 1 1 158 158 PRO C C 158 176.532 176.532 176.996 -0.464 19731 9529 1 9 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.550 -0.383 19731 9530 1 9 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.275 0.068 19731 9531 1 9 . 1 1 159 159 ALA N N 159 123.733 123.733 124.736 -1.003 19731 9532 1 9 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.005 0.039 19731 9533 1 9 . 1 1 159 159 ALA C C 159 179.706 179.706 179.682 0.024 19731 9534 1 9 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.388 1.378 19731 9535 1 9 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.723 0.156 19731 9536 1 9 . 1 1 159 159 ALA H H 159 8.575 8.575 8.571 0.004 19731 9537 1 9 . 1 1 160 160 LYS N N 160 116.796 116.796 115.889 0.907 19731 9538 1 9 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.248 -0.091 19731 9539 1 9 . 1 1 160 160 LYS C C 160 179.115 179.115 177.997 1.118 19731 9540 1 9 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.420 0.538 19731 9541 1 9 . 1 1 160 160 LYS CB C 160 31.561 31.561 32.207 -0.646 19731 9542 1 9 . 1 1 160 160 LYS H H 160 8.883 8.883 8.280 0.603 19731 9543 1 9 . 1 1 161 161 GLU N N 161 118.514 118.514 119.646 -1.132 19731 9544 1 9 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.170 -0.056 19731 9545 1 9 . 1 1 161 161 GLU C C 161 178.707 178.707 178.236 0.471 19731 9546 1 9 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.277 1.072 19731 9547 1 9 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.716 1.531 19731 9548 1 9 . 1 1 161 161 GLU H H 161 6.988 6.988 7.743 -0.755 19731 9549 1 9 . 1 1 162 162 GLN N N 162 120.202 120.202 118.641 1.561 19731 9550 1 9 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.109 -0.409 19731 9551 1 9 . 1 1 162 162 GLN C C 162 177.184 177.184 178.105 -0.921 19731 9552 1 9 . 1 1 162 162 GLN CA C 162 58.019 58.019 57.913 0.106 19731 9553 1 9 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.211 0.062 19731 9554 1 9 . 1 1 162 162 GLN H H 162 8.988 8.988 8.059 0.929 19731 9555 1 9 . 1 1 163 163 GLU N N 163 117.952 117.952 119.424 -1.472 19731 9556 1 9 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.079 0.061 19731 9557 1 9 . 1 1 163 163 GLU C C 163 180.273 180.273 178.721 1.552 19731 9558 1 9 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.592 0.305 19731 9559 1 9 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.237 0.523 19731 9560 1 9 . 1 1 163 163 GLU H H 163 8.063 8.063 7.993 0.070 19731 9561 1 9 . 1 1 164 164 CYS N N 164 118.796 118.796 115.289 3.507 19731 9562 1 9 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.363 -0.223 19731 9563 1 9 . 1 1 164 164 CYS C C 164 176.562 176.562 176.531 0.031 19731 9564 1 9 . 1 1 164 164 CYS CA C 164 63.420 63.420 61.162 2.258 19731 9565 1 9 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.659 -0.343 19731 9566 1 9 . 1 1 164 164 CYS H H 164 7.306 7.306 7.880 -0.574 19731 9567 1 9 . 1 1 165 165 LEU N N 165 121.327 121.327 124.567 -3.240 19731 9568 1 9 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.124 0.173 19731 9569 1 9 . 1 1 165 165 LEU C C 165 179.029 179.029 178.093 0.936 19731 9570 1 9 . 1 1 165 165 LEU CA C 165 58.410 58.410 58.240 0.170 19731 9571 1 9 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.825 0.460 19731 9572 1 9 . 1 1 165 165 LEU H H 165 8.357 8.357 7.527 0.830 19731 9573 1 9 . 1 1 166 166 ASP N N 166 119.358 119.358 119.597 -0.239 19731 9574 1 9 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.518 -0.287 19731 9575 1 9 . 1 1 166 166 ASP C C 166 179.029 179.029 178.738 0.291 19731 9576 1 9 . 1 1 166 166 ASP CA C 166 57.392 57.392 58.226 -0.834 19731 9577 1 9 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.711 -1.010 19731 9578 1 9 . 1 1 166 166 ASP H H 166 9.169 9.169 8.077 1.092 19731 9579 1 9 . 1 1 167 167 ALA N N 167 122.171 122.171 122.160 0.011 19731 9580 1 9 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.205 0.117 19731 9581 1 9 . 1 1 167 167 ALA C C 167 180.616 180.616 179.514 1.102 19731 9582 1 9 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.211 -0.245 19731 9583 1 9 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.462 0.026 19731 9584 1 9 . 1 1 167 167 ALA H H 167 7.745 7.745 7.875 -0.130 19731 9585 1 9 . 1 1 168 168 ALA N N 168 122.452 122.452 121.739 0.713 19731 9586 1 9 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.165 -0.101 19731 9587 1 9 . 1 1 168 168 ALA C C 168 180.917 180.917 180.069 0.848 19731 9588 1 9 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.849 0.586 19731 9589 1 9 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.523 -0.818 19731 9590 1 9 . 1 1 168 168 ALA H H 168 8.164 8.164 8.109 0.055 19731 9591 1 9 . 1 1 169 169 VAL N N 169 124.702 124.702 119.332 5.370 19731 9592 1 9 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.576 -0.134 19731 9593 1 9 . 1 1 169 169 VAL C C 169 177.442 177.442 177.736 -0.294 19731 9594 1 9 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.436 1.289 19731 9595 1 9 . 1 1 169 169 VAL CB C 169 31.639 31.639 30.793 0.846 19731 9596 1 9 . 1 1 169 169 VAL H H 169 9.052 9.052 8.210 0.842 19731 9597 1 9 . 1 1 170 170 ASP N N 170 119.358 119.358 119.651 -0.293 19731 9598 1 9 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.244 -0.009 19731 9599 1 9 . 1 1 170 170 ASP C C 170 178.750 178.750 178.472 0.278 19731 9600 1 9 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.574 0.288 19731 9601 1 9 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.881 -0.162 19731 9602 1 9 . 1 1 170 170 ASP H H 170 8.139 8.139 7.757 0.382 19731 9603 1 9 . 1 1 171 171 GLU N N 171 119.639 119.639 118.166 1.473 19731 9604 1 9 . 1 1 171 171 GLU HA H 171 4.142 4.142 4.020 0.122 19731 9605 1 9 . 1 1 171 171 GLU C C 171 179.050 179.050 178.891 0.159 19731 9606 1 9 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.043 0.132 19731 9607 1 9 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.861 -0.745 19731 9608 1 9 . 1 1 171 171 GLU H H 171 7.821 7.821 7.177 0.644 19731 9609 1 9 . 1 1 172 172 SER N N 172 119.251 119.251 115.973 3.278 19731 9610 1 9 . 1 1 172 172 SER HA H 172 3.818 3.818 4.183 -0.365 19731 9611 1 9 . 1 1 172 172 SER C C 172 175.919 175.919 176.139 -0.220 19731 9612 1 9 . 1 1 172 172 SER CA C 172 64.594 64.594 62.253 2.341 19731 9613 1 9 . 1 1 172 172 SER CB C 172 62.794 62.794 63.205 -0.411 19731 9614 1 9 . 1 1 172 172 SER H H 172 8.457 8.457 8.210 0.247 19731 9615 1 9 . 1 1 173 173 VAL N N 173 121.889 121.889 115.880 6.009 19731 9616 1 9 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.977 -0.515 19731 9617 1 9 . 1 1 173 173 VAL C C 173 178.407 178.407 176.846 1.561 19731 9618 1 9 . 1 1 173 173 VAL CA C 173 67.803 67.803 63.834 3.969 19731 9619 1 9 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.186 0.218 19731 9620 1 9 . 1 1 173 173 VAL H H 173 8.316 8.316 7.900 0.416 19731 9621 1 9 . 1 1 174 174 ARG N N 174 118.796 118.796 120.891 -2.095 19731 9622 1 9 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.031 0.101 19731 9623 1 9 . 1 1 174 174 ARG C C 174 180.938 180.938 178.443 2.495 19731 9624 1 9 . 1 1 174 174 ARG CA C 174 59.506 59.506 59.356 0.150 19731 9625 1 9 . 1 1 174 174 ARG CB C 174 30.073 30.073 30.294 -0.221 19731 9626 1 9 . 1 1 174 174 ARG H H 174 7.669 7.669 7.273 0.396 19731 9627 1 9 . 1 1 175 175 CYS N N 175 117.070 117.070 117.313 -0.243 19731 9628 1 9 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.237 0.090 19731 9629 1 9 . 1 1 175 175 CYS C C 175 176.541 176.541 176.421 0.120 19731 9630 1 9 . 1 1 175 175 CYS CA C 175 64.437 64.437 61.152 3.285 19731 9631 1 9 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.778 0.477 19731 9632 1 9 . 1 1 175 175 CYS H H 175 8.649 8.649 8.065 0.584 19731 9633 1 9 . 1 1 176 176 LEU N N 176 125.264 125.264 121.915 3.349 19731 9634 1 9 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.909 0.171 19731 9635 1 9 . 1 1 176 176 LEU C C 176 178.450 178.450 179.081 -0.631 19731 9636 1 9 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.529 0.333 19731 9637 1 9 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.194 0.699 19731 9638 1 9 . 1 1 176 176 LEU H H 176 8.699 8.699 7.754 0.945 19731 9639 1 9 . 1 1 177 177 GLU N N 177 118.260 118.260 119.408 -1.148 19731 9640 1 9 . 1 1 177 177 GLU HA H 177 3.761 3.761 3.969 -0.208 19731 9641 1 9 . 1 1 177 177 GLU C C 177 179.029 179.029 178.704 0.325 19731 9642 1 9 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.266 1.257 19731 9643 1 9 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.609 -0.397 19731 9644 1 9 . 1 1 177 177 GLU H H 177 7.533 7.533 7.534 -0.001 19731 9645 1 9 . 1 1 178 178 ILE N N 178 118.788 118.788 119.290 -0.502 19731 9646 1 9 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.862 -0.185 19731 9647 1 9 . 1 1 178 178 ILE C C 178 177.785 177.785 178.570 -0.785 19731 9648 1 9 . 1 1 178 178 ILE CA C 178 65.142 65.142 62.880 2.262 19731 9649 1 9 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.920 1.607 19731 9650 1 9 . 1 1 178 178 ILE H H 178 7.384 7.384 7.518 -0.134 19731 9651 1 9 . 1 1 179 179 LEU N N 179 123.577 123.577 122.296 1.281 19731 9652 1 9 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.004 -0.304 19731 9653 1 9 . 1 1 179 179 LEU C C 179 178.129 178.129 178.584 -0.455 19731 9654 1 9 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.000 0.645 19731 9655 1 9 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.195 -0.302 19731 9656 1 9 . 1 1 179 179 LEU H H 179 8.503 8.503 8.084 0.419 19731 9657 1 9 . 1 1 180 180 MET N N 180 113.171 113.171 112.912 0.259 19731 9658 1 9 . 1 1 180 180 MET HA H 180 4.186 4.186 4.187 -0.001 19731 9659 1 9 . 1 1 180 180 MET C C 180 176.498 176.498 177.782 -1.284 19731 9660 1 9 . 1 1 180 180 MET CA C 180 55.905 55.905 58.130 -2.225 19731 9661 1 9 . 1 1 180 180 MET CB C 180 31.013 31.013 32.872 -1.859 19731 9662 1 9 . 1 1 180 180 MET H H 180 7.139 7.139 7.526 -0.387 19731 9663 1 9 . 1 1 181 181 LYS N N 181 117.952 117.952 115.905 2.047 19731 9664 1 9 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.370 -0.097 19731 9665 1 9 . 1 1 181 181 LYS C C 181 176.542 176.542 177.866 -1.324 19731 9666 1 9 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.489 1.234 19731 9667 1 9 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.407 1.520 19731 9668 1 9 . 1 1 181 181 LYS H H 181 7.665 7.665 7.365 0.300 19731 9669 1 9 . 1 1 182 182 ASP N N 182 116.827 116.827 118.559 -1.732 19731 9670 1 9 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.790 0.130 19731 9671 1 9 . 1 1 182 182 ASP C C 182 177.485 177.485 175.269 2.216 19731 9672 1 9 . 1 1 182 182 ASP CA C 182 54.887 54.887 54.935 -0.049 19731 9673 1 9 . 1 1 182 182 ASP CB C 182 44.790 44.790 42.797 1.993 19731 9674 1 9 . 1 1 182 182 ASP H H 182 9.191 9.191 8.237 0.954 19731 9675 1 9 . 1 1 183 183 GLY N N 183 110.358 110.358 106.277 4.081 19731 9676 1 9 . 1 1 183 183 GLY C C 183 173.410 173.410 174.669 -1.259 19731 9677 1 9 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.389 0.252 19731 9678 1 9 . 1 1 183 183 GLY H H 183 7.745 7.745 7.420 0.325 19731 9679 1 9 . 1 1 184 184 LEU N N 184 118.796 118.796 117.180 1.616 19731 9680 1 9 . 1 1 184 184 LEU HA H 184 3.700 3.700 3.997 -0.297 19731 9681 1 9 . 1 1 184 184 LEU C C 184 177.506 177.506 177.528 -0.022 19731 9682 1 9 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.189 1.221 19731 9683 1 9 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.462 0.744 19731 9684 1 9 . 1 1 184 184 LEU H H 184 8.381 8.381 8.401 -0.020 19731 9685 1 9 . 1 1 185 185 THR N N 185 115.421 115.421 111.063 4.358 19731 9686 1 9 . 1 1 185 185 THR HA H 185 3.819 3.819 3.891 -0.072 19731 9687 1 9 . 1 1 185 185 THR C C 185 176.520 176.520 176.307 0.213 19731 9688 1 9 . 1 1 185 185 THR CA C 185 67.021 67.021 65.400 1.621 19731 9689 1 9 . 1 1 185 185 THR CB C 185 68.351 68.351 67.884 0.467 19731 9690 1 9 . 1 1 185 185 THR H H 185 8.336 8.336 7.980 0.356 19731 9691 1 9 . 1 1 186 186 LYS N N 186 120.202 120.202 121.504 -1.302 19731 9692 1 9 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.066 -0.108 19731 9693 1 9 . 1 1 186 186 LYS C C 186 179.329 179.329 178.323 1.006 19731 9694 1 9 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.890 0.657 19731 9695 1 9 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.699 0.644 19731 9696 1 9 . 1 1 186 186 LYS H H 186 8.237 8.237 7.400 0.837 19731 9697 1 9 . 1 1 187 187 ALA N N 187 121.889 121.889 121.988 -0.099 19731 9698 1 9 . 1 1 187 187 ALA HA H 187 3.913 3.913 3.940 -0.027 19731 9699 1 9 . 1 1 187 187 ALA C C 187 178.772 178.772 178.981 -0.209 19731 9700 1 9 . 1 1 187 187 ALA CA C 187 55.905 55.905 54.974 0.931 19731 9701 1 9 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.165 1.419 19731 9702 1 9 . 1 1 187 187 ALA H H 187 7.566 7.566 7.369 0.197 19731 9703 1 9 . 1 1 188 188 GLN N N 188 117.952 117.952 119.009 -1.057 19731 9704 1 9 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.859 -0.050 19731 9705 1 9 . 1 1 188 188 GLN C C 188 176.863 176.863 178.265 -1.402 19731 9706 1 9 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.752 0.284 19731 9707 1 9 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.044 1.012 19731 9708 1 9 . 1 1 188 188 GLN H H 188 9.125 9.125 8.316 0.809 19731 9709 1 9 . 1 1 189 189 ASN N N 189 117.100 117.100 117.687 -0.587 19731 9710 1 9 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.338 0.088 19731 9711 1 9 . 1 1 189 189 ASN C C 189 177.463 177.463 177.272 0.191 19731 9712 1 9 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.749 -1.079 19731 9713 1 9 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.413 -0.434 19731 9714 1 9 . 1 1 189 189 ASN H H 189 8.275 8.275 7.689 0.586 19731 9715 1 9 . 1 1 190 190 ARG N N 190 117.389 117.389 119.908 -2.519 19731 9716 1 9 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.192 0.303 19731 9717 1 9 . 1 1 190 190 ARG C C 190 178.428 178.428 178.770 -0.342 19731 9718 1 9 . 1 1 190 190 ARG CA C 190 59.036 59.036 57.993 1.043 19731 9719 1 9 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.554 0.206 19731 9720 1 9 . 1 1 190 190 ARG H H 190 7.230 7.230 7.694 -0.464 19731 9721 1 9 . 1 1 191 191 LEU N N 191 122.155 122.155 119.956 2.199 19731 9722 1 9 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.084 0.056 19731 9723 1 9 . 1 1 191 191 LEU C C 191 179.373 179.373 179.041 0.332 19731 9724 1 9 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.132 0.513 19731 9725 1 9 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.338 0.164 19731 9726 1 9 . 1 1 191 191 LEU H H 191 8.624 8.624 8.691 -0.067 19731 9727 1 9 . 1 1 192 192 HIS N N 192 113.452 113.452 116.423 -2.971 19731 9728 1 9 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.918 0.173 19731 9729 1 9 . 1 1 192 192 HIS C C 192 177.163 177.163 176.337 0.826 19731 9730 1 9 . 1 1 192 192 HIS CA C 192 57.001 57.001 58.011 -1.010 19731 9731 1 9 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.274 -1.923 19731 9732 1 9 . 1 1 192 192 HIS H H 192 9.017 9.017 8.018 0.999 19731 9733 1 9 . 1 1 193 193 THR N N 193 110.077 110.077 113.091 -3.014 19731 9734 1 9 . 1 1 193 193 THR HA H 193 4.499 4.499 4.237 0.262 19731 9735 1 9 . 1 1 193 193 THR C C 193 174.053 174.053 174.409 -0.356 19731 9736 1 9 . 1 1 193 193 THR CA C 193 62.011 62.011 62.717 -0.706 19731 9737 1 9 . 1 1 193 193 THR CB C 193 69.995 69.995 69.658 0.337 19731 9738 1 9 . 1 1 193 193 THR H H 193 7.632 7.632 7.597 0.035 19731 9739 1 9 . 1 1 194 194 PHE N N 194 124.702 124.702 124.076 0.626 19731 9740 1 9 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.449 0.000 19731 9741 1 9 . 1 1 194 194 PHE C C 194 175.640 175.640 172.986 2.654 19731 9742 1 9 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.900 1.371 19731 9743 1 9 . 1 1 194 194 PHE CB C 194 39.858 39.858 39.161 0.697 19731 9744 1 9 . 1 1 194 194 PHE H H 194 7.722 7.722 7.692 0.030 19731 9745 1 9 . 1 1 195 195 LYS N N 195 128.639 128.639 125.888 2.751 19731 9746 1 9 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.495 -0.300 19731 9747 1 9 . 1 1 195 195 LYS C C 195 174.032 174.032 174.447 -0.415 19731 9748 1 9 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.724 2.729 19731 9749 1 9 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.183 -0.256 19731 9750 1 9 . 1 1 195 195 LYS H H 195 7.615 7.615 7.690 -0.075 19731 9751 1 9 . 1 1 196 196 ALA N N 196 129.483 129.483 126.099 3.384 19731 9752 1 9 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.248 0.031 19731 9753 1 9 . 1 1 196 196 ALA C C 196 175.619 175.619 176.344 -0.725 19731 9754 1 9 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.221 -0.073 19731 9755 1 9 . 1 1 196 196 ALA CB C 196 20.602 20.602 16.920 3.682 19731 9756 1 9 . 1 1 196 196 ALA H H 196 8.324 8.324 8.666 -0.342 19731 9757 1 10 . 1 1 2 2 VAL N N 2 122.420 122.420 117.330 5.090 19731 9758 1 10 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.560 -0.393 19731 9759 1 10 . 1 1 2 2 VAL C C 2 175.919 175.919 175.685 0.234 19731 9760 1 10 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.027 1.140 19731 9761 1 10 . 1 1 2 2 VAL CB C 2 33.109 33.109 33.675 -0.566 19731 9762 1 10 . 1 1 2 2 VAL H H 2 8.260 8.260 7.684 0.576 19731 9763 1 10 . 1 1 3 3 SER N N 3 119.915 119.915 120.407 -0.492 19731 9764 1 10 . 1 1 3 3 SER HA H 3 4.134 4.134 4.330 -0.196 19731 9765 1 10 . 1 1 3 3 SER C C 3 173.731 173.731 174.517 -0.786 19731 9766 1 10 . 1 1 3 3 SER CA C 3 58.253 58.253 59.919 -1.665 19731 9767 1 10 . 1 1 3 3 SER CB C 3 63.811 63.811 63.766 0.045 19731 9768 1 10 . 1 1 3 3 SER H H 3 8.381 8.381 9.009 -0.628 19731 9769 1 10 . 1 1 4 4 GLN N N 4 123.810 123.810 118.833 4.977 19731 9770 1 10 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.743 -0.274 19731 9771 1 10 . 1 1 4 4 GLN C C 4 174.067 174.067 173.302 0.765 19731 9772 1 10 . 1 1 4 4 GLN CA C 4 53.478 53.478 52.626 0.852 19731 9773 1 10 . 1 1 4 4 GLN CB C 4 29.394 29.394 30.909 -1.515 19731 9774 1 10 . 1 1 4 4 GLN H H 4 8.412 8.412 7.693 0.719 19731 9775 1 10 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.390 -0.044 19731 9776 1 10 . 1 1 5 5 PRO C C 5 176.242 176.242 176.698 -0.456 19731 9777 1 10 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.584 1.744 19731 9778 1 10 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.419 0.128 19731 9779 1 10 . 1 1 6 6 ILE N N 6 114.232 114.232 122.105 -7.873 19731 9780 1 10 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.778 0.393 19731 9781 1 10 . 1 1 6 6 ILE C C 6 175.577 175.577 175.458 0.119 19731 9782 1 10 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.660 -3.623 19731 9783 1 10 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.924 -0.240 19731 9784 1 10 . 1 1 6 6 ILE H H 6 7.745 7.745 8.143 -0.398 19731 9785 1 10 . 1 1 7 7 LYS N N 7 121.791 121.791 126.447 -4.656 19731 9786 1 10 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.543 -0.055 19731 9787 1 10 . 1 1 7 7 LYS C C 7 175.898 175.898 176.658 -0.760 19731 9788 1 10 . 1 1 7 7 LYS CA C 7 56.766 56.766 56.203 0.563 19731 9789 1 10 . 1 1 7 7 LYS CB C 7 37.281 37.281 34.215 3.066 19731 9790 1 10 . 1 1 7 7 LYS H H 7 9.462 9.462 8.475 0.987 19731 9791 1 10 . 1 1 8 8 LEU N N 8 122.642 122.642 114.970 7.672 19731 9792 1 10 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.456 -0.269 19731 9793 1 10 . 1 1 8 8 LEU C C 8 171.543 171.543 175.029 -3.486 19731 9794 1 10 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.583 -0.363 19731 9795 1 10 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.768 0.107 19731 9796 1 10 . 1 1 8 8 LEU H H 8 7.532 7.532 7.611 -0.079 19731 9797 1 10 . 1 1 9 9 LEU N N 9 128.904 128.904 119.486 9.418 19731 9798 1 10 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.620 -0.069 19731 9799 1 10 . 1 1 9 9 LEU C C 9 173.410 173.410 175.636 -2.226 19731 9800 1 10 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.318 0.745 19731 9801 1 10 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.140 1.423 19731 9802 1 10 . 1 1 9 9 LEU H H 9 8.900 8.900 9.042 -0.142 19731 9803 1 10 . 1 1 10 10 VAL N N 10 126.431 126.431 118.610 7.821 19731 9804 1 10 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.174 0.170 19731 9805 1 10 . 1 1 10 10 VAL C C 10 174.353 174.353 175.380 -1.027 19731 9806 1 10 . 1 1 10 10 VAL CA C 10 58.880 58.880 59.503 -0.623 19731 9807 1 10 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.407 1.843 19731 9808 1 10 . 1 1 10 10 VAL H H 10 9.246 9.246 9.097 0.149 19731 9809 1 10 . 1 1 11 11 GLY N N 11 115.421 115.421 110.442 4.979 19731 9810 1 10 . 1 1 11 11 GLY C C 11 170.943 170.943 172.869 -1.926 19731 9811 1 10 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.689 1.483 19731 9812 1 10 . 1 1 11 11 GLY H H 11 8.738 8.738 8.582 0.156 19731 9813 1 10 . 1 1 12 12 LEU N N 12 119.415 119.415 124.625 -5.210 19731 9814 1 10 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.722 -0.506 19731 9815 1 10 . 1 1 12 12 LEU C C 12 176.498 176.498 175.446 1.052 19731 9816 1 10 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.216 1.533 19731 9817 1 10 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.984 -2.656 19731 9818 1 10 . 1 1 12 12 LEU H H 12 7.423 7.423 8.130 -0.707 19731 9819 1 10 . 1 1 13 13 ALA N N 13 121.608 121.608 123.839 -2.231 19731 9820 1 10 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.707 -0.339 19731 9821 1 10 . 1 1 13 13 ALA C C 13 177.463 177.463 175.134 2.329 19731 9822 1 10 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.611 2.163 19731 9823 1 10 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.463 4.178 19731 9824 1 10 . 1 1 13 13 ALA H H 13 8.627 8.627 8.287 0.340 19731 9825 1 10 . 1 1 14 14 ASN N N 14 116.827 116.827 118.648 -1.821 19731 9826 1 10 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.698 -0.294 19731 9827 1 10 . 1 1 14 14 ASN C C 14 173.431 173.431 175.243 -1.812 19731 9828 1 10 . 1 1 14 14 ASN CA C 14 51.052 51.052 52.045 -0.993 19731 9829 1 10 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.070 2.414 19731 9830 1 10 . 1 1 14 14 ASN H H 14 8.896 8.896 8.176 0.720 19731 9831 1 10 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.322 0.035 19731 9832 1 10 . 1 1 17 17 PRO C C 17 179.073 179.073 177.668 1.405 19731 9833 1 10 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.644 0.527 19731 9834 1 10 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.097 -0.223 19731 9835 1 10 . 1 1 18 18 GLU N N 18 118.514 118.514 115.668 2.846 19731 9836 1 10 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.131 -0.077 19731 9837 1 10 . 1 1 18 18 GLU C C 18 177.807 177.807 178.052 -0.245 19731 9838 1 10 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.405 0.396 19731 9839 1 10 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.546 -0.117 19731 9840 1 10 . 1 1 18 18 GLU H H 18 9.729 9.729 8.920 0.809 19731 9841 1 10 . 1 1 19 19 TYR N N 19 115.421 115.421 117.235 -1.814 19731 9842 1 10 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.627 -1.200 19731 9843 1 10 . 1 1 19 19 TYR C C 19 177.549 177.549 177.759 -0.210 19731 9844 1 10 . 1 1 19 19 TYR CA C 19 58.332 58.332 58.693 -0.361 19731 9845 1 10 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.050 1.651 19731 9846 1 10 . 1 1 19 19 TYR H H 19 7.268 7.268 7.811 -0.542 19731 9847 1 10 . 1 1 20 20 ALA N N 20 123.858 123.858 121.953 1.905 19731 9848 1 10 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.609 -0.180 19731 9849 1 10 . 1 1 20 20 ALA C C 20 178.365 178.365 177.425 0.940 19731 9850 1 10 . 1 1 20 20 ALA CA C 20 55.983 55.983 54.078 1.905 19731 9851 1 10 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.735 1.006 19731 9852 1 10 . 1 1 20 20 ALA H H 20 7.245 7.245 7.498 -0.253 19731 9853 1 10 . 1 1 21 21 LYS N N 21 114.577 114.577 114.163 0.414 19731 9854 1 10 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.444 0.339 19731 9855 1 10 . 1 1 21 21 LYS C C 21 176.541 176.541 176.751 -0.210 19731 9856 1 10 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.501 -2.087 19731 9857 1 10 . 1 1 21 21 LYS CB C 21 32.109 32.109 31.976 0.133 19731 9858 1 10 . 1 1 21 21 LYS H H 21 8.894 8.894 7.878 1.016 19731 9859 1 10 . 1 1 22 22 THR N N 22 111.202 111.202 116.419 -5.217 19731 9860 1 10 . 1 1 22 22 THR HA H 22 4.495 4.495 4.509 -0.014 19731 9861 1 10 . 1 1 22 22 THR C C 22 175.277 175.277 175.060 0.217 19731 9862 1 10 . 1 1 22 22 THR CA C 22 61.306 61.306 62.939 -1.633 19731 9863 1 10 . 1 1 22 22 THR CB C 22 72.109 72.109 70.416 1.693 19731 9864 1 10 . 1 1 22 22 THR H H 22 7.927 7.927 7.743 0.184 19731 9865 1 10 . 1 1 23 23 ARG N N 23 119.639 119.639 125.436 -5.797 19731 9866 1 10 . 1 1 23 23 ARG HA H 23 4.508 4.508 3.851 0.657 19731 9867 1 10 . 1 1 23 23 ARG C C 23 177.142 177.142 178.121 -0.979 19731 9868 1 10 . 1 1 23 23 ARG CA C 23 60.993 60.993 59.510 1.483 19731 9869 1 10 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.186 1.688 19731 9870 1 10 . 1 1 23 23 ARG H H 23 8.245 8.245 8.713 -0.468 19731 9871 1 10 . 1 1 24 24 HIS N N 24 115.140 115.140 116.512 -1.372 19731 9872 1 10 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.880 -0.952 19731 9873 1 10 . 1 1 24 24 HIS C C 24 173.109 173.109 174.302 -1.193 19731 9874 1 10 . 1 1 24 24 HIS CA C 24 53.870 53.870 55.883 -2.013 19731 9875 1 10 . 1 1 24 24 HIS CB C 24 29.003 29.003 27.800 1.202 19731 9876 1 10 . 1 1 24 24 HIS H H 24 8.245 8.245 8.271 -0.026 19731 9877 1 10 . 1 1 25 25 ASN N N 25 115.140 115.140 117.593 -2.453 19731 9878 1 10 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.779 -0.018 19731 9879 1 10 . 1 1 25 25 ASN C C 25 175.234 175.234 175.055 0.179 19731 9880 1 10 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.075 0.073 19731 9881 1 10 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.721 -0.507 19731 9882 1 10 . 1 1 25 25 ASN H H 25 7.661 7.661 7.839 -0.178 19731 9883 1 10 . 1 1 26 26 ALA N N 26 120.764 120.764 124.597 -3.833 19731 9884 1 10 . 1 1 26 26 ALA HA H 26 4.757 4.757 3.890 0.867 19731 9885 1 10 . 1 1 26 26 ALA C C 26 178.428 178.428 178.788 -0.360 19731 9886 1 10 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.658 -1.162 19731 9887 1 10 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.297 0.113 19731 9888 1 10 . 1 1 26 26 ALA H H 26 7.148 7.148 7.480 -0.332 19731 9889 1 10 . 1 1 27 27 GLY N N 27 100.254 100.254 105.132 -4.878 19731 9890 1 10 . 1 1 27 27 GLY C C 27 176.520 176.520 175.661 0.859 19731 9891 1 10 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.919 0.062 19731 9892 1 10 . 1 1 27 27 GLY H H 27 8.957 8.957 7.940 1.017 19731 9893 1 10 . 1 1 28 28 ALA N N 28 123.296 123.296 123.751 -0.455 19731 9894 1 10 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.428 -0.238 19731 9895 1 10 . 1 1 28 28 ALA C C 28 179.373 179.373 179.140 0.233 19731 9896 1 10 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.841 1.751 19731 9897 1 10 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.428 -0.096 19731 9898 1 10 . 1 1 28 28 ALA H H 28 7.090 7.090 7.473 -0.383 19731 9899 1 10 . 1 1 29 29 TRP N N 29 117.952 117.952 120.621 -2.669 19731 9900 1 10 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.353 0.364 19731 9901 1 10 . 1 1 29 29 TRP C C 29 179.973 179.973 178.155 1.818 19731 9902 1 10 . 1 1 29 29 TRP CA C 29 57.862 57.862 61.271 -3.409 19731 9903 1 10 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.211 -1.155 19731 9904 1 10 . 1 1 29 29 TRP H H 29 7.649 7.649 8.398 -0.749 19731 9905 1 10 . 1 1 30 30 VAL N N 30 116.082 116.082 113.567 2.515 19731 9906 1 10 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.886 -0.330 19731 9907 1 10 . 1 1 30 30 VAL C C 30 176.542 176.542 177.147 -0.605 19731 9908 1 10 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.522 0.639 19731 9909 1 10 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.673 0.357 19731 9910 1 10 . 1 1 30 30 VAL H H 30 7.263 7.263 7.519 -0.256 19731 9911 1 10 . 1 1 31 31 VAL N N 31 118.514 118.514 116.352 2.162 19731 9912 1 10 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.952 -0.692 19731 9913 1 10 . 1 1 31 31 VAL C C 31 177.142 177.142 177.575 -0.433 19731 9914 1 10 . 1 1 31 31 VAL CA C 31 67.647 67.647 65.240 2.407 19731 9915 1 10 . 1 1 31 31 VAL CB C 31 31.639 31.639 30.864 0.775 19731 9916 1 10 . 1 1 31 31 VAL H H 31 6.912 6.912 7.175 -0.263 19731 9917 1 10 . 1 1 32 32 GLU N N 32 117.882 117.882 121.103 -3.221 19731 9918 1 10 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.941 -0.150 19731 9919 1 10 . 1 1 32 32 GLU C C 32 179.715 179.715 178.186 1.529 19731 9920 1 10 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.607 0.447 19731 9921 1 10 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.317 0.756 19731 9922 1 10 . 1 1 32 32 GLU H H 32 9.069 9.069 7.742 1.327 19731 9923 1 10 . 1 1 33 33 GLU N N 33 120.202 120.202 120.501 -0.299 19731 9924 1 10 . 1 1 33 33 GLU HA H 33 4.504 4.504 4.037 0.467 19731 9925 1 10 . 1 1 33 33 GLU C C 33 177.807 177.807 179.000 -1.193 19731 9926 1 10 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.900 -0.412 19731 9927 1 10 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.028 -0.051 19731 9928 1 10 . 1 1 33 33 GLU H H 33 7.967 7.967 7.842 0.125 19731 9929 1 10 . 1 1 34 34 LEU N N 34 121.046 121.046 119.515 1.531 19731 9930 1 10 . 1 1 34 34 LEU HA H 34 4.023 4.023 4.013 0.010 19731 9931 1 10 . 1 1 34 34 LEU C C 34 178.429 178.429 178.828 -0.399 19731 9932 1 10 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.849 0.573 19731 9933 1 10 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.506 0.935 19731 9934 1 10 . 1 1 34 34 LEU H H 34 8.297 8.297 7.346 0.951 19731 9935 1 10 . 1 1 35 35 ALA N N 35 118.233 118.233 121.560 -3.327 19731 9936 1 10 . 1 1 35 35 ALA HA H 35 3.867 3.867 4.003 -0.136 19731 9937 1 10 . 1 1 35 35 ALA C C 35 178.729 178.729 179.572 -0.843 19731 9938 1 10 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.037 0.633 19731 9939 1 10 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.287 -1.130 19731 9940 1 10 . 1 1 35 35 ALA H H 35 8.450 8.450 7.526 0.924 19731 9941 1 10 . 1 1 36 36 ARG N N 36 118.796 118.796 118.307 0.489 19731 9942 1 10 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.025 0.015 19731 9943 1 10 . 1 1 36 36 ARG C C 36 181.217 181.217 178.630 2.587 19731 9944 1 10 . 1 1 36 36 ARG CA C 36 59.819 59.819 59.203 0.616 19731 9945 1 10 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.361 0.181 19731 9946 1 10 . 1 1 36 36 ARG H H 36 8.063 8.063 8.102 -0.039 19731 9947 1 10 . 1 1 37 37 ILE N N 37 119.077 119.077 117.245 1.832 19731 9948 1 10 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.976 -0.225 19731 9949 1 10 . 1 1 37 37 ILE C C 37 177.443 177.443 177.592 -0.149 19731 9950 1 10 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.359 1.000 19731 9951 1 10 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.815 0.400 19731 9952 1 10 . 1 1 37 37 ILE H H 37 8.420 8.420 7.966 0.454 19731 9953 1 10 . 1 1 38 38 HIS N N 38 116.546 116.546 117.163 -0.617 19731 9954 1 10 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.507 -0.108 19731 9955 1 10 . 1 1 38 38 HIS C C 38 173.452 173.452 175.384 -1.932 19731 9956 1 10 . 1 1 38 38 HIS CA C 38 57.236 57.236 57.253 -0.017 19731 9957 1 10 . 1 1 38 38 HIS CB C 38 30.699 30.699 30.808 -0.109 19731 9958 1 10 . 1 1 38 38 HIS H H 38 7.635 7.635 7.959 -0.324 19731 9959 1 10 . 1 1 39 39 ASN N N 39 117.108 117.108 116.698 0.410 19731 9960 1 10 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.382 -0.030 19731 9961 1 10 . 1 1 39 39 ASN C C 39 174.310 174.310 173.814 0.496 19731 9962 1 10 . 1 1 39 39 ASN CA C 39 54.653 54.653 54.040 0.613 19731 9963 1 10 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.029 0.325 19731 9964 1 10 . 1 1 39 39 ASN H H 39 7.942 7.942 8.024 -0.082 19731 9965 1 10 . 1 1 40 40 VAL N N 40 119.921 119.921 117.788 2.133 19731 9966 1 10 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.435 -0.219 19731 9967 1 10 . 1 1 40 40 VAL C C 40 175.361 175.361 175.662 -0.301 19731 9968 1 10 . 1 1 40 40 VAL CA C 40 61.776 61.776 60.789 0.987 19731 9969 1 10 . 1 1 40 40 VAL CB C 40 34.222 34.222 34.134 0.088 19731 9970 1 10 . 1 1 40 40 VAL H H 40 8.578 8.578 7.444 1.134 19731 9971 1 10 . 1 1 41 41 THR N N 41 123.878 123.878 123.865 0.013 19731 9972 1 10 . 1 1 41 41 THR HA H 41 4.231 4.231 4.330 -0.099 19731 9973 1 10 . 1 1 41 41 THR C C 41 174.033 174.033 174.026 0.007 19731 9974 1 10 . 1 1 41 41 THR CA C 41 61.776 61.776 61.849 -0.072 19731 9975 1 10 . 1 1 41 41 THR CB C 41 69.525 69.525 68.777 0.748 19731 9976 1 10 . 1 1 41 41 THR H H 41 8.617 8.617 8.462 0.155 19731 9977 1 10 . 1 1 42 42 LEU N N 42 128.639 128.639 128.997 -0.358 19731 9978 1 10 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.448 -0.111 19731 9979 1 10 . 1 1 42 42 LEU C C 42 175.919 175.919 176.553 -0.634 19731 9980 1 10 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.560 0.249 19731 9981 1 10 . 1 1 42 42 LEU CB C 42 41.893 41.893 41.172 0.721 19731 9982 1 10 . 1 1 42 42 LEU H H 42 8.783 8.783 8.384 0.399 19731 9983 1 10 . 1 1 43 43 LYS N N 43 122.452 122.452 125.221 -2.769 19731 9984 1 10 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.572 0.017 19731 9985 1 10 . 1 1 43 43 LYS C C 43 175.619 175.619 175.496 0.123 19731 9986 1 10 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.922 -0.426 19731 9987 1 10 . 1 1 43 43 LYS CB C 43 35.944 35.944 33.806 2.138 19731 9988 1 10 . 1 1 43 43 LYS H H 43 8.738 8.738 9.039 -0.301 19731 9989 1 10 . 1 1 44 44 ASN N N 44 123.014 123.014 123.596 -0.582 19731 9990 1 10 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.922 -0.342 19731 9991 1 10 . 1 1 44 44 ASN C C 44 174.718 174.718 175.057 -0.339 19731 9992 1 10 . 1 1 44 44 ASN CA C 44 54.484 54.484 52.875 1.609 19731 9993 1 10 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.431 0.409 19731 9994 1 10 . 1 1 44 44 ASN H H 44 8.906 8.906 8.943 -0.037 19731 9995 1 10 . 1 1 45 45 GLU N N 45 128.921 128.921 125.244 3.677 19731 9996 1 10 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.766 -0.392 19731 9997 1 10 . 1 1 45 45 GLU C C 45 173.731 173.731 175.470 -1.739 19731 9998 1 10 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.298 0.946 19731 9999 1 10 . 1 1 45 45 GLU CB C 45 31.639 31.639 31.037 0.602 19731 10000 1 10 . 1 1 45 45 GLU H H 45 8.675 8.675 8.479 0.196 19731 10001 1 10 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.150 -0.162 19731 10002 1 10 . 1 1 46 46 PRO C C 46 175.298 175.298 177.724 -2.426 19731 10003 1 10 . 1 1 46 46 PRO CA C 46 64.985 64.985 65.001 -0.016 19731 10004 1 10 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.921 0.109 19731 10005 1 10 . 1 1 47 47 LYS N N 47 115.793 115.793 116.199 -0.406 19731 10006 1 10 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.549 -0.031 19731 10007 1 10 . 1 1 47 47 LYS C C 47 174.998 174.998 176.684 -1.686 19731 10008 1 10 . 1 1 47 47 LYS CA C 47 57.862 57.862 57.373 0.489 19731 10009 1 10 . 1 1 47 47 LYS CB C 47 31.561 31.561 31.567 -0.006 19731 10010 1 10 . 1 1 47 47 LYS H H 47 8.239 8.239 7.731 0.508 19731 10011 1 10 . 1 1 48 48 PHE N N 48 114.577 114.577 115.191 -0.614 19731 10012 1 10 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.643 0.247 19731 10013 1 10 . 1 1 48 48 PHE C C 48 172.810 172.810 174.835 -2.025 19731 10014 1 10 . 1 1 48 48 PHE CA C 48 53.870 53.870 55.698 -1.828 19731 10015 1 10 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.350 0.351 19731 10016 1 10 . 1 1 48 48 PHE H H 48 7.398 7.398 6.901 0.497 19731 10017 1 10 . 1 1 49 49 PHE N N 49 110.358 110.358 114.071 -3.713 19731 10018 1 10 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.176 -0.325 19731 10019 1 10 . 1 1 49 49 PHE C C 49 175.298 175.298 175.318 -0.020 19731 10020 1 10 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.933 -0.914 19731 10021 1 10 . 1 1 49 49 PHE CB C 49 36.431 36.431 36.820 -0.389 19731 10022 1 10 . 1 1 49 49 PHE H H 49 6.923 6.923 6.906 0.017 19731 10023 1 10 . 1 1 50 50 GLY N N 50 136.915 136.915 104.179 32.736 19731 10024 1 10 . 1 1 50 50 GLY C C 50 170.643 170.643 171.614 -0.971 19731 10025 1 10 . 1 1 50 50 GLY CA C 50 47.138 47.138 45.350 1.788 19731 10026 1 10 . 1 1 50 50 GLY H H 50 6.836 6.836 7.587 -0.751 19731 10027 1 10 . 1 1 51 51 LEU N N 51 119.282 119.282 120.735 -1.453 19731 10028 1 10 . 1 1 51 51 LEU HA H 51 4.837 4.837 5.066 -0.229 19731 10029 1 10 . 1 1 51 51 LEU C C 51 177.164 177.164 175.228 1.936 19731 10030 1 10 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.139 -1.052 19731 10031 1 10 . 1 1 51 51 LEU CB C 51 44.163 44.163 44.167 -0.004 19731 10032 1 10 . 1 1 51 51 LEU H H 51 8.692 8.692 8.328 0.364 19731 10033 1 10 . 1 1 52 52 THR N N 52 112.608 112.608 123.041 -10.433 19731 10034 1 10 . 1 1 52 52 THR HA H 52 5.529 5.529 5.361 0.168 19731 10035 1 10 . 1 1 52 52 THR C C 52 173.732 173.732 173.132 0.600 19731 10036 1 10 . 1 1 52 52 THR CA C 52 59.036 59.036 60.023 -0.987 19731 10037 1 10 . 1 1 52 52 THR CB C 52 72.578 72.578 71.708 0.870 19731 10038 1 10 . 1 1 52 52 THR H H 52 9.230 9.230 9.273 -0.043 19731 10039 1 10 . 1 1 53 53 GLY N N 53 105.858 105.858 110.914 -5.056 19731 10040 1 10 . 1 1 53 53 GLY C C 53 171.545 171.545 171.306 0.239 19731 10041 1 10 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.207 0.817 19731 10042 1 10 . 1 1 53 53 GLY H H 53 7.881 7.881 9.017 -1.136 19731 10043 1 10 . 1 1 54 54 ARG N N 54 122.128 122.128 122.409 -0.281 19731 10044 1 10 . 1 1 54 54 ARG HA H 54 4.861 4.861 5.290 -0.429 19731 10045 1 10 . 1 1 54 54 ARG C C 54 172.767 172.767 174.516 -1.749 19731 10046 1 10 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.263 0.486 19731 10047 1 10 . 1 1 54 54 ARG CB C 54 32.813 32.813 32.363 0.450 19731 10048 1 10 . 1 1 54 54 ARG H H 54 8.627 8.627 8.522 0.105 19731 10049 1 10 . 1 1 55 55 LEU N N 55 125.264 125.264 123.570 1.694 19731 10050 1 10 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.786 -0.202 19731 10051 1 10 . 1 1 55 55 LEU C C 55 174.011 174.011 174.939 -0.928 19731 10052 1 10 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.269 0.836 19731 10053 1 10 . 1 1 55 55 LEU CB C 55 44.242 44.242 44.314 -0.072 19731 10054 1 10 . 1 1 55 55 LEU H H 55 8.968 8.968 9.160 -0.192 19731 10055 1 10 . 1 1 56 56 LEU N N 56 123.577 123.577 127.891 -4.314 19731 10056 1 10 . 1 1 56 56 LEU HA H 56 5.020 5.020 5.167 -0.147 19731 10057 1 10 . 1 1 56 56 LEU C C 56 176.263 176.263 176.018 0.245 19731 10058 1 10 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.127 -0.439 19731 10059 1 10 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.534 1.160 19731 10060 1 10 . 1 1 56 56 LEU H H 56 8.405 8.405 8.724 -0.319 19731 10061 1 10 . 1 1 57 57 ILE N N 57 123.748 123.748 121.323 2.425 19731 10062 1 10 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.589 -0.379 19731 10063 1 10 . 1 1 57 57 ILE C C 57 175.655 175.655 175.449 0.206 19731 10064 1 10 . 1 1 57 57 ILE CA C 57 60.132 60.132 58.437 1.695 19731 10065 1 10 . 1 1 57 57 ILE CB C 57 40.484 40.484 41.111 -0.627 19731 10066 1 10 . 1 1 57 57 ILE H H 57 8.617 8.617 8.424 0.193 19731 10067 1 10 . 1 1 58 58 ASN N N 58 127.486 127.486 122.032 5.454 19731 10068 1 10 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.361 -0.039 19731 10069 1 10 . 1 1 58 58 ASN C C 58 174.976 174.976 174.600 0.376 19731 10070 1 10 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.762 -0.996 19731 10071 1 10 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.800 -0.055 19731 10072 1 10 . 1 1 58 58 ASN H H 58 9.489 9.489 9.100 0.389 19731 10073 1 10 . 1 1 59 59 SER N N 59 106.702 106.702 113.880 -7.178 19731 10074 1 10 . 1 1 59 59 SER HA H 59 3.833 3.833 4.551 -0.718 19731 10075 1 10 . 1 1 59 59 SER C C 59 172.510 172.510 173.432 -0.922 19731 10076 1 10 . 1 1 59 59 SER CA C 59 60.445 60.445 58.464 1.981 19731 10077 1 10 . 1 1 59 59 SER CB C 59 62.246 62.246 65.693 -3.447 19731 10078 1 10 . 1 1 59 59 SER H H 59 8.664 8.664 8.483 0.181 19731 10079 1 10 . 1 1 60 60 GLN N N 60 120.764 120.764 121.582 -0.818 19731 10080 1 10 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.598 -0.108 19731 10081 1 10 . 1 1 60 60 GLN C C 60 174.310 174.310 173.526 0.784 19731 10082 1 10 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.759 -0.576 19731 10083 1 10 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.784 -1.615 19731 10084 1 10 . 1 1 60 60 GLN H H 60 7.925 7.925 7.970 -0.045 19731 10085 1 10 . 1 1 61 61 GLU N N 61 122.452 122.452 123.691 -1.239 19731 10086 1 10 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.469 0.157 19731 10087 1 10 . 1 1 61 61 GLU C C 61 174.932 174.932 175.486 -0.554 19731 10088 1 10 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.526 0.301 19731 10089 1 10 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.137 2.502 19731 10090 1 10 . 1 1 61 61 GLU H H 61 8.613 8.613 8.673 -0.060 19731 10091 1 10 . 1 1 62 62 LEU N N 62 129.483 129.483 127.254 2.229 19731 10092 1 10 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.718 -0.235 19731 10093 1 10 . 1 1 62 62 LEU C C 62 175.276 175.276 175.469 -0.193 19731 10094 1 10 . 1 1 62 62 LEU CA C 62 53.713 53.713 54.202 -0.489 19731 10095 1 10 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.666 1.750 19731 10096 1 10 . 1 1 62 62 LEU H H 62 9.131 9.131 8.888 0.243 19731 10097 1 10 . 1 1 63 63 ARG N N 63 125.546 125.546 125.979 -0.433 19731 10098 1 10 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.328 -0.444 19731 10099 1 10 . 1 1 63 63 ARG C C 63 174.998 174.998 174.730 0.268 19731 10100 1 10 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.551 1.432 19731 10101 1 10 . 1 1 63 63 ARG CB C 63 31.013 31.013 33.431 -2.418 19731 10102 1 10 . 1 1 63 63 ARG H H 63 7.802 7.802 9.049 -1.247 19731 10103 1 10 . 1 1 64 64 VAL N N 64 112.608 112.608 120.997 -8.389 19731 10104 1 10 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.503 0.337 19731 10105 1 10 . 1 1 64 64 VAL C C 64 174.353 174.353 173.519 0.834 19731 10106 1 10 . 1 1 64 64 VAL CA C 64 57.784 57.784 58.953 -1.169 19731 10107 1 10 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.908 -0.981 19731 10108 1 10 . 1 1 64 64 VAL H H 64 8.199 8.199 8.920 -0.721 19731 10109 1 10 . 1 1 65 65 LEU N N 65 122.279 122.279 128.172 -5.893 19731 10110 1 10 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.277 0.249 19731 10111 1 10 . 1 1 65 65 LEU C C 65 174.353 174.353 174.357 -0.004 19731 10112 1 10 . 1 1 65 65 LEU CA C 65 53.557 53.557 54.086 -0.529 19731 10113 1 10 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.409 1.277 19731 10114 1 10 . 1 1 65 65 LEU H H 65 8.163 8.163 8.283 -0.120 19731 10115 1 10 . 1 1 66 66 ILE N N 66 126.952 126.952 126.267 0.685 19731 10116 1 10 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.239 -0.117 19731 10117 1 10 . 1 1 66 66 ILE C C 66 173.817 173.817 173.238 0.579 19731 10118 1 10 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.998 1.569 19731 10119 1 10 . 1 1 66 66 ILE CB C 66 41.815 41.815 41.964 -0.149 19731 10120 1 10 . 1 1 66 66 ILE H H 66 9.131 9.131 9.194 -0.063 19731 10121 1 10 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.840 -0.332 19731 10122 1 10 . 1 1 67 67 PRO C C 67 177.786 177.786 176.928 0.858 19731 10123 1 10 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.654 0.549 19731 10124 1 10 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.151 0.958 19731 10125 1 10 . 1 1 68 68 THR N N 68 115.421 115.421 116.288 -0.867 19731 10126 1 10 . 1 1 68 68 THR HA H 68 4.370 4.370 4.180 0.190 19731 10127 1 10 . 1 1 68 68 THR C C 68 174.054 174.054 176.027 -1.973 19731 10128 1 10 . 1 1 68 68 THR CA C 68 60.445 60.445 65.091 -4.646 19731 10129 1 10 . 1 1 68 68 THR CB C 68 67.177 67.177 68.879 -1.702 19731 10130 1 10 . 1 1 68 68 THR H H 68 9.645 9.645 8.503 1.142 19731 10131 1 10 . 1 1 69 69 THR N N 69 110.954 110.954 120.105 -9.151 19731 10132 1 10 . 1 1 69 69 THR HA H 69 4.065 4.065 4.402 -0.337 19731 10133 1 10 . 1 1 69 69 THR C C 69 177.184 177.184 174.317 2.867 19731 10134 1 10 . 1 1 69 69 THR CA C 69 62.011 62.011 62.770 -0.759 19731 10135 1 10 . 1 1 69 69 THR CB C 69 71.013 71.013 68.092 2.921 19731 10136 1 10 . 1 1 69 69 THR H H 69 7.063 7.063 8.094 -1.031 19731 10137 1 10 . 1 1 70 70 PHE N N 70 111.483 111.483 123.104 -11.621 19731 10138 1 10 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.431 -0.175 19731 10139 1 10 . 1 1 70 70 PHE C C 70 179.029 179.029 175.136 3.893 19731 10140 1 10 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.637 3.922 19731 10141 1 10 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.133 0.238 19731 10142 1 10 . 1 1 70 70 PHE H H 70 8.033 8.033 8.382 -0.349 19731 10143 1 10 . 1 1 71 71 MET N N 71 121.809 121.809 118.705 3.104 19731 10144 1 10 . 1 1 71 71 MET HA H 71 4.055 4.055 4.164 -0.109 19731 10145 1 10 . 1 1 71 71 MET C C 71 179.372 179.372 177.999 1.373 19731 10146 1 10 . 1 1 71 71 MET CA C 71 58.488 58.488 57.410 1.078 19731 10147 1 10 . 1 1 71 71 MET CB C 71 31.036 31.036 32.232 -1.196 19731 10148 1 10 . 1 1 71 71 MET H H 71 8.671 8.671 7.724 0.947 19731 10149 1 10 . 1 1 72 72 ASN N N 72 115.648 115.648 116.790 -1.142 19731 10150 1 10 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.578 -0.421 19731 10151 1 10 . 1 1 72 72 ASN C C 72 173.454 173.454 177.286 -3.832 19731 10152 1 10 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.255 -0.447 19731 10153 1 10 . 1 1 72 72 ASN CB C 72 36.805 36.805 39.279 -2.474 19731 10154 1 10 . 1 1 72 72 ASN H H 72 8.817 8.817 8.122 0.695 19731 10155 1 10 . 1 1 73 73 LEU N N 73 119.077 119.077 119.913 -0.836 19731 10156 1 10 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.216 0.757 19731 10157 1 10 . 1 1 73 73 LEU C C 73 177.485 177.485 178.085 -0.600 19731 10158 1 10 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.739 -1.869 19731 10159 1 10 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.184 2.353 19731 10160 1 10 . 1 1 73 73 LEU H H 73 7.362 7.362 7.555 -0.193 19731 10161 1 10 . 1 1 74 74 SER N N 74 114.067 114.067 117.583 -3.516 19731 10162 1 10 . 1 1 74 74 SER HA H 74 4.084 4.084 4.172 -0.088 19731 10163 1 10 . 1 1 74 74 SER C C 74 175.640 175.640 176.732 -1.092 19731 10164 1 10 . 1 1 74 74 SER CA C 74 63.498 63.498 62.061 1.437 19731 10165 1 10 . 1 1 74 74 SER CB C 74 66.081 66.081 62.168 3.913 19731 10166 1 10 . 1 1 74 74 SER H H 74 7.499 7.499 7.710 -0.211 19731 10167 1 10 . 1 1 75 75 GLY N N 75 107.827 107.827 109.485 -1.658 19731 10168 1 10 . 1 1 75 75 GLY C C 75 174.954 174.954 176.065 -1.111 19731 10169 1 10 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.581 1.418 19731 10170 1 10 . 1 1 75 75 GLY H H 75 10.017 10.017 7.957 2.060 19731 10171 1 10 . 1 1 76 76 LYS N N 76 120.250 120.250 122.730 -2.480 19731 10172 1 10 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.970 0.003 19731 10173 1 10 . 1 1 76 76 LYS C C 76 179.051 179.051 178.914 0.137 19731 10174 1 10 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.017 0.254 19731 10175 1 10 . 1 1 76 76 LYS CB C 76 32.813 32.813 31.552 1.262 19731 10176 1 10 . 1 1 76 76 LYS H H 76 7.975 7.975 7.868 0.107 19731 10177 1 10 . 1 1 77 77 ALA N N 77 121.046 121.046 122.300 -1.254 19731 10178 1 10 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.450 -0.012 19731 10179 1 10 . 1 1 77 77 ALA C C 77 177.463 177.463 179.884 -2.421 19731 10180 1 10 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.263 -0.297 19731 10181 1 10 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.586 2.172 19731 10182 1 10 . 1 1 77 77 ALA H H 77 6.824 6.824 7.905 -1.081 19731 10183 1 10 . 1 1 78 78 ILE N N 78 115.422 115.422 118.980 -3.558 19731 10184 1 10 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.672 -0.550 19731 10185 1 10 . 1 1 78 78 ILE C C 78 177.163 177.163 177.881 -0.718 19731 10186 1 10 . 1 1 78 78 ILE CA C 78 65.846 65.846 65.056 0.790 19731 10187 1 10 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.627 1.527 19731 10188 1 10 . 1 1 78 78 ILE H H 78 7.124 7.124 7.543 -0.419 19731 10189 1 10 . 1 1 79 79 ALA N N 79 117.952 117.952 123.355 -5.403 19731 10190 1 10 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.901 0.035 19731 10191 1 10 . 1 1 79 79 ALA C C 79 179.329 179.329 179.245 0.084 19731 10192 1 10 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.455 -0.411 19731 10193 1 10 . 1 1 79 79 ALA CB C 79 18.410 18.410 18.058 0.352 19731 10194 1 10 . 1 1 79 79 ALA H H 79 8.644 8.644 8.583 0.061 19731 10195 1 10 . 1 1 80 80 ALA N N 80 118.796 118.796 121.324 -2.528 19731 10196 1 10 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.221 0.086 19731 10197 1 10 . 1 1 80 80 ALA C C 80 180.616 180.616 179.754 0.862 19731 10198 1 10 . 1 1 80 80 ALA CA C 80 55.592 55.592 55.132 0.460 19731 10199 1 10 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.531 0.192 19731 10200 1 10 . 1 1 80 80 ALA H H 80 7.442 7.442 8.043 -0.601 19731 10201 1 10 . 1 1 81 81 LEU N N 81 119.878 119.878 120.434 -0.556 19731 10202 1 10 . 1 1 81 81 LEU HA H 81 3.604 3.604 4.324 -0.720 19731 10203 1 10 . 1 1 81 81 LEU C C 81 178.750 178.750 178.860 -0.110 19731 10204 1 10 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.980 1.291 19731 10205 1 10 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.590 1.008 19731 10206 1 10 . 1 1 81 81 LEU H H 81 7.953 7.953 8.255 -0.302 19731 10207 1 10 . 1 1 82 82 ALA N N 82 120.764 120.764 120.106 0.658 19731 10208 1 10 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.952 -0.069 19731 10209 1 10 . 1 1 82 82 ALA C C 82 180.273 180.273 179.711 0.562 19731 10210 1 10 . 1 1 82 82 ALA CA C 82 56.140 56.140 55.030 1.110 19731 10211 1 10 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.212 -0.977 19731 10212 1 10 . 1 1 82 82 ALA H H 82 8.906 8.906 8.478 0.428 19731 10213 1 10 . 1 1 83 83 ASN N N 83 113.733 113.733 117.689 -3.956 19731 10214 1 10 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.487 0.039 19731 10215 1 10 . 1 1 83 83 ASN C C 83 178.085 178.085 177.837 0.248 19731 10216 1 10 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.412 -0.585 19731 10217 1 10 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.902 -0.531 19731 10218 1 10 . 1 1 83 83 ASN H H 83 8.644 8.644 8.348 0.296 19731 10219 1 10 . 1 1 84 84 PHE N N 84 121.327 121.327 118.286 3.041 19731 10220 1 10 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.435 -0.374 19731 10221 1 10 . 1 1 84 84 PHE C C 84 177.164 177.164 176.976 0.188 19731 10222 1 10 . 1 1 84 84 PHE CA C 84 62.089 62.089 60.184 1.905 19731 10223 1 10 . 1 1 84 84 PHE CB C 84 40.406 40.406 39.129 1.277 19731 10224 1 10 . 1 1 84 84 PHE H H 84 7.621 7.621 8.360 -0.739 19731 10225 1 10 . 1 1 85 85 TYR N N 85 112.890 112.890 118.840 -5.950 19731 10226 1 10 . 1 1 85 85 TYR HA H 85 4.507 4.507 3.913 0.594 19731 10227 1 10 . 1 1 85 85 TYR C C 85 173.732 173.732 175.320 -1.588 19731 10228 1 10 . 1 1 85 85 TYR CA C 85 59.193 59.193 58.504 0.689 19731 10229 1 10 . 1 1 85 85 TYR CB C 85 38.919 38.919 38.380 0.539 19731 10230 1 10 . 1 1 85 85 TYR H H 85 7.578 7.578 7.147 0.431 19731 10231 1 10 . 1 1 86 86 GLN N N 86 117.671 117.671 113.411 4.260 19731 10232 1 10 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.875 0.068 19731 10233 1 10 . 1 1 86 86 GLN C C 86 174.675 174.675 174.287 0.388 19731 10234 1 10 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.531 0.705 19731 10235 1 10 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.348 -0.502 19731 10236 1 10 . 1 1 86 86 GLN H H 86 7.691 7.691 7.667 0.024 19731 10237 1 10 . 1 1 87 87 ILE N N 87 122.171 122.171 118.266 3.905 19731 10238 1 10 . 1 1 87 87 ILE HA H 87 3.997 3.997 3.875 0.122 19731 10239 1 10 . 1 1 87 87 ILE C C 87 175.597 175.597 176.179 -0.582 19731 10240 1 10 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.218 2.401 19731 10241 1 10 . 1 1 87 87 ILE CB C 87 40.484 40.484 37.589 2.895 19731 10242 1 10 . 1 1 87 87 ILE H H 87 8.786 8.786 7.182 1.604 19731 10243 1 10 . 1 1 88 88 LYS N N 88 128.639 128.639 126.679 1.960 19731 10244 1 10 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.571 -0.650 19731 10245 1 10 . 1 1 88 88 LYS CA C 88 54.887 54.887 54.313 0.574 19731 10246 1 10 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.829 -0.190 19731 10247 1 10 . 1 1 88 88 LYS H H 88 8.957 8.957 8.315 0.642 19731 10248 1 10 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.209 -0.189 19731 10249 1 10 . 1 1 89 89 PRO C C 89 176.542 176.542 178.269 -1.727 19731 10250 1 10 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.810 0.487 19731 10251 1 10 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.778 -0.075 19731 10252 1 10 . 1 1 90 90 GLU N N 90 111.202 111.202 114.328 -3.126 19731 10253 1 10 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.819 -0.511 19731 10254 1 10 . 1 1 90 90 GLU C C 90 176.241 176.241 177.360 -1.119 19731 10255 1 10 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.306 0.730 19731 10256 1 10 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.896 -0.388 19731 10257 1 10 . 1 1 90 90 GLU H H 90 9.328 9.328 8.838 0.490 19731 10258 1 10 . 1 1 91 91 GLU N N 91 116.265 116.265 117.253 -0.988 19731 10259 1 10 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.569 0.363 19731 10260 1 10 . 1 1 91 91 GLU C C 91 175.254 175.254 175.273 -0.019 19731 10261 1 10 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.475 -0.822 19731 10262 1 10 . 1 1 91 91 GLU CB C 91 30.856 30.856 30.904 -0.048 19731 10263 1 10 . 1 1 91 91 GLU H H 91 8.101 8.101 8.094 0.007 19731 10264 1 10 . 1 1 92 92 ILE N N 92 122.683 122.683 121.325 1.358 19731 10265 1 10 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.812 -0.578 19731 10266 1 10 . 1 1 92 92 ILE C C 92 173.710 173.710 174.536 -0.826 19731 10267 1 10 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.238 1.599 19731 10268 1 10 . 1 1 92 92 ILE CB C 92 40.171 40.171 38.384 1.787 19731 10269 1 10 . 1 1 92 92 ILE H H 92 8.042 8.042 7.677 0.365 19731 10270 1 10 . 1 1 93 93 MET N N 93 125.264 125.264 127.501 -2.237 19731 10271 1 10 . 1 1 93 93 MET HA H 93 5.215 5.215 5.937 -0.722 19731 10272 1 10 . 1 1 93 93 MET C C 93 173.454 173.454 174.120 -0.666 19731 10273 1 10 . 1 1 93 93 MET CA C 93 53.322 53.322 53.614 -0.292 19731 10274 1 10 . 1 1 93 93 MET CB C 93 36.570 36.570 37.269 -0.699 19731 10275 1 10 . 1 1 93 93 MET H H 93 9.187 9.187 9.077 0.110 19731 10276 1 10 . 1 1 94 94 VAL N N 94 128.639 128.639 122.944 5.695 19731 10277 1 10 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.098 -0.500 19731 10278 1 10 . 1 1 94 94 VAL C C 94 174.675 174.675 173.293 1.382 19731 10279 1 10 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.328 0.978 19731 10280 1 10 . 1 1 94 94 VAL CB C 94 33.518 33.518 35.889 -2.371 19731 10281 1 10 . 1 1 94 94 VAL H H 94 9.406 9.406 8.418 0.988 19731 10282 1 10 . 1 1 95 95 ALA N N 95 132.577 132.577 131.884 0.693 19731 10283 1 10 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.268 0.467 19731 10284 1 10 . 1 1 95 95 ALA C C 95 175.640 175.640 175.682 -0.042 19731 10285 1 10 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.179 0.012 19731 10286 1 10 . 1 1 95 95 ALA CB C 95 20.210 20.210 20.466 -0.256 19731 10287 1 10 . 1 1 95 95 ALA H H 95 10.008 10.008 9.260 0.748 19731 10288 1 10 . 1 1 96 96 HIS N N 96 119.077 119.077 120.000 -0.923 19731 10289 1 10 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.003 0.344 19731 10290 1 10 . 1 1 96 96 HIS C C 96 171.543 171.543 173.661 -2.118 19731 10291 1 10 . 1 1 96 96 HIS CA C 96 53.870 53.870 53.860 0.010 19731 10292 1 10 . 1 1 96 96 HIS CB C 96 32.578 32.578 33.188 -0.610 19731 10293 1 10 . 1 1 96 96 HIS H H 96 8.972 8.972 8.651 0.321 19731 10294 1 10 . 1 1 97 97 ASP N N 97 115.983 115.983 121.625 -5.642 19731 10295 1 10 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.303 0.392 19731 10296 1 10 . 1 1 97 97 ASP C C 97 178.064 178.064 175.058 3.006 19731 10297 1 10 . 1 1 97 97 ASP CA C 97 53.635 53.635 54.866 -1.231 19731 10298 1 10 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.746 -0.497 19731 10299 1 10 . 1 1 97 97 ASP H H 97 10.517 10.517 8.559 1.958 19731 10300 1 10 . 1 1 98 98 GLU N N 98 127.233 127.233 126.498 0.735 19731 10301 1 10 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.582 0.573 19731 10302 1 10 . 1 1 98 98 GLU C C 98 174.932 174.932 175.404 -0.472 19731 10303 1 10 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.169 -1.534 19731 10304 1 10 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.006 0.433 19731 10305 1 10 . 1 1 98 98 GLU H H 98 9.194 9.194 7.849 1.345 19731 10306 1 10 . 1 1 99 99 LEU N N 99 132.858 132.858 123.679 9.179 19731 10307 1 10 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.541 0.085 19731 10308 1 10 . 1 1 99 99 LEU C C 99 178.128 178.128 177.287 0.841 19731 10309 1 10 . 1 1 99 99 LEU CA C 99 57.001 57.001 54.694 2.307 19731 10310 1 10 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.222 3.333 19731 10311 1 10 . 1 1 99 99 LEU H H 99 8.692 8.692 8.707 -0.015 19731 10312 1 10 . 1 1 100 100 ASP N N 100 113.733 113.733 119.842 -6.109 19731 10313 1 10 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.503 0.108 19731 10314 1 10 . 1 1 100 100 ASP C C 100 175.276 175.276 176.338 -1.062 19731 10315 1 10 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.945 -0.979 19731 10316 1 10 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.310 -0.434 19731 10317 1 10 . 1 1 100 100 ASP H H 100 9.191 9.191 8.318 0.873 19731 10318 1 10 . 1 1 101 101 LEU N N 101 119.932 119.932 118.859 1.073 19731 10319 1 10 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.863 -0.062 19731 10320 1 10 . 1 1 101 101 LEU C C 101 172.522 172.522 173.990 -1.468 19731 10321 1 10 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.535 -0.169 19731 10322 1 10 . 1 1 101 101 LEU CB C 101 45.338 45.338 44.542 0.796 19731 10323 1 10 . 1 1 101 101 LEU H H 101 7.427 7.427 7.156 0.271 19731 10324 1 10 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.316 0.165 19731 10325 1 10 . 1 1 103 103 PRO C C 103 178.429 178.429 176.819 1.610 19731 10326 1 10 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.148 -0.226 19731 10327 1 10 . 1 1 103 103 PRO CB C 103 31.422 31.422 30.855 0.568 19731 10328 1 10 . 1 1 104 104 GLY N N 104 113.733 113.733 112.969 0.764 19731 10329 1 10 . 1 1 104 104 GLY C C 104 172.144 172.144 172.534 -0.390 19731 10330 1 10 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.103 0.861 19731 10331 1 10 . 1 1 104 104 GLY H H 104 9.826 9.826 8.671 1.155 19731 10332 1 10 . 1 1 105 105 VAL N N 105 116.265 116.265 112.682 3.583 19731 10333 1 10 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.017 -0.313 19731 10334 1 10 . 1 1 105 105 VAL C C 105 174.654 174.654 173.518 1.136 19731 10335 1 10 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.904 0.619 19731 10336 1 10 . 1 1 105 105 VAL CB C 105 34.927 34.927 35.322 -0.395 19731 10337 1 10 . 1 1 105 105 VAL H H 105 7.518 7.518 7.221 0.297 19731 10338 1 10 . 1 1 106 106 ALA N N 106 129.764 129.764 125.520 4.244 19731 10339 1 10 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.264 0.151 19731 10340 1 10 . 1 1 106 106 ALA C C 106 174.954 174.954 175.914 -0.960 19731 10341 1 10 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.078 1.443 19731 10342 1 10 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.027 1.706 19731 10343 1 10 . 1 1 106 106 ALA H H 106 9.484 9.484 8.424 1.060 19731 10344 1 10 . 1 1 107 107 LYS N N 107 113.733 113.733 120.007 -6.274 19731 10345 1 10 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.866 0.055 19731 10346 1 10 . 1 1 107 107 LYS C C 107 176.262 176.262 174.890 1.372 19731 10347 1 10 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.409 -0.835 19731 10348 1 10 . 1 1 107 107 LYS CB C 107 39.623 39.623 37.132 2.491 19731 10349 1 10 . 1 1 107 107 LYS H H 107 8.184 8.184 7.983 0.201 19731 10350 1 10 . 1 1 108 108 PHE N N 108 122.733 122.733 121.380 1.353 19731 10351 1 10 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.833 1.188 19731 10352 1 10 . 1 1 108 108 PHE C C 108 177.828 177.828 175.436 2.392 19731 10353 1 10 . 1 1 108 108 PHE CA C 108 56.688 56.688 56.989 -0.301 19731 10354 1 10 . 1 1 108 108 PHE CB C 108 42.128 42.128 42.323 -0.195 19731 10355 1 10 . 1 1 108 108 PHE H H 108 11.610 11.610 8.221 3.389 19731 10356 1 10 . 1 1 109 109 LYS N N 109 122.733 122.733 121.326 1.407 19731 10357 1 10 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.708 -0.105 19731 10358 1 10 . 1 1 109 109 LYS C C 109 173.152 173.152 173.775 -0.623 19731 10359 1 10 . 1 1 109 109 LYS CA C 109 56.218 56.218 55.634 0.584 19731 10360 1 10 . 1 1 109 109 LYS CB C 109 38.449 38.449 34.873 3.576 19731 10361 1 10 . 1 1 109 109 LYS H H 109 9.275 9.275 9.013 0.262 19731 10362 1 10 . 1 1 110 110 GLN N N 110 126.952 126.952 124.845 2.107 19731 10363 1 10 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.178 -0.052 19731 10364 1 10 . 1 1 110 110 GLN C C 110 175.040 175.040 175.832 -0.792 19731 10365 1 10 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.703 1.188 19731 10366 1 10 . 1 1 110 110 GLN CB C 110 29.447 29.447 31.067 -1.620 19731 10367 1 10 . 1 1 110 110 GLN H H 110 8.910 8.910 8.361 0.549 19731 10368 1 10 . 1 1 111 111 GLY N N 111 113.910 113.910 113.265 0.645 19731 10369 1 10 . 1 1 111 111 GLY C C 111 171.543 171.543 173.065 -1.522 19731 10370 1 10 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.540 0.093 19731 10371 1 10 . 1 1 111 111 GLY H H 111 7.170 7.170 8.076 -0.906 19731 10372 1 10 . 1 1 112 112 GLY N N 112 102.365 102.365 109.448 -7.083 19731 10373 1 10 . 1 1 112 112 GLY C C 112 174.954 174.954 173.007 1.947 19731 10374 1 10 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.102 -0.721 19731 10375 1 10 . 1 1 112 112 GLY H H 112 7.634 7.634 7.967 -0.333 19731 10376 1 10 . 1 1 113 113 GLY N N 113 104.247 104.247 107.786 -3.539 19731 10377 1 10 . 1 1 113 113 GLY C C 113 174.737 174.737 173.333 1.404 19731 10378 1 10 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.512 -0.107 19731 10379 1 10 . 1 1 113 113 GLY H H 113 8.109 8.109 8.445 -0.336 19731 10380 1 10 . 1 1 114 114 HIS N N 114 114.133 114.133 118.728 -4.595 19731 10381 1 10 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.883 -0.362 19731 10382 1 10 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.372 0.825 19731 10383 1 10 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.432 1.227 19731 10384 1 10 . 1 1 114 114 HIS H H 114 7.472 7.472 8.432 -0.960 19731 10385 1 10 . 1 1 115 115 GLY N N 115 111.756 111.756 107.657 4.099 19731 10386 1 10 . 1 1 115 115 GLY C C 115 175.298 175.298 175.178 0.120 19731 10387 1 10 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.401 2.507 19731 10388 1 10 . 1 1 115 115 GLY H H 115 8.472 8.472 8.483 -0.011 19731 10389 1 10 . 1 1 116 116 GLY N N 116 112.890 112.890 109.316 3.574 19731 10390 1 10 . 1 1 116 116 GLY C C 116 174.010 174.010 173.949 0.061 19731 10391 1 10 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.117 -0.399 19731 10392 1 10 . 1 1 116 116 GLY H H 116 11.124 11.124 8.674 2.450 19731 10393 1 10 . 1 1 117 117 HIS N N 117 124.702 124.702 121.028 3.674 19731 10394 1 10 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.880 -0.346 19731 10395 1 10 . 1 1 117 117 HIS C C 117 177.485 177.485 174.798 2.687 19731 10396 1 10 . 1 1 117 117 HIS CA C 117 57.152 57.152 55.046 2.106 19731 10397 1 10 . 1 1 117 117 HIS CB C 117 32.422 32.422 33.060 -0.638 19731 10398 1 10 . 1 1 117 117 HIS H H 117 8.275 8.275 7.970 0.305 19731 10399 1 10 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.271 0.082 19731 10400 1 10 . 1 1 118 118 ASN C C 118 178.751 178.751 177.033 1.718 19731 10401 1 10 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.895 -0.285 19731 10402 1 10 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.022 0.192 19731 10403 1 10 . 1 1 119 119 GLY N N 119 112.608 112.608 108.627 3.981 19731 10404 1 10 . 1 1 119 119 GLY C C 119 177.163 177.163 176.005 1.158 19731 10405 1 10 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.200 0.173 19731 10406 1 10 . 1 1 119 119 GLY H H 119 9.608 9.608 7.702 1.906 19731 10407 1 10 . 1 1 120 120 LEU N N 120 125.827 125.827 122.226 3.601 19731 10408 1 10 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.187 -0.214 19731 10409 1 10 . 1 1 120 120 LEU C C 120 178.729 178.729 179.224 -0.495 19731 10410 1 10 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.762 1.178 19731 10411 1 10 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.578 2.255 19731 10412 1 10 . 1 1 120 120 LEU H H 120 8.199 8.199 8.222 -0.023 19731 10413 1 10 . 1 1 121 121 LYS N N 121 119.921 119.921 120.813 -0.892 19731 10414 1 10 . 1 1 121 121 LYS HA H 121 3.681 3.681 3.909 -0.228 19731 10415 1 10 . 1 1 121 121 LYS C C 121 178.708 178.708 179.267 -0.559 19731 10416 1 10 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.982 1.855 19731 10417 1 10 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.724 1.480 19731 10418 1 10 . 1 1 121 121 LYS H H 121 8.760 8.760 8.455 0.305 19731 10419 1 10 . 1 1 122 122 ASP N N 122 117.389 117.389 119.209 -1.820 19731 10420 1 10 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.401 0.149 19731 10421 1 10 . 1 1 122 122 ASP C C 122 178.107 178.107 178.139 -0.032 19731 10422 1 10 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.320 0.855 19731 10423 1 10 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.760 2.934 19731 10424 1 10 . 1 1 122 122 ASP H H 122 7.245 7.245 8.488 -1.243 19731 10425 1 10 . 1 1 123 123 THR N N 123 116.546 116.546 115.896 0.650 19731 10426 1 10 . 1 1 123 123 THR HA H 123 3.830 3.830 3.954 -0.124 19731 10427 1 10 . 1 1 123 123 THR C C 123 174.696 174.696 176.531 -1.835 19731 10428 1 10 . 1 1 123 123 THR CA C 123 69.447 69.447 66.592 2.855 19731 10429 1 10 . 1 1 123 123 THR CB C 123 67.803 67.803 68.722 -0.919 19731 10430 1 10 . 1 1 123 123 THR H H 123 7.639 7.639 7.683 -0.044 19731 10431 1 10 . 1 1 124 124 ILE N N 124 118.736 118.736 120.287 -1.551 19731 10432 1 10 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.789 0.604 19731 10433 1 10 . 1 1 124 124 ILE C C 124 179.051 179.051 177.742 1.309 19731 10434 1 10 . 1 1 124 124 ILE CA C 124 65.453 65.453 62.370 3.083 19731 10435 1 10 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.502 3.076 19731 10436 1 10 . 1 1 124 124 ILE H H 124 8.078 8.078 7.195 0.883 19731 10437 1 10 . 1 1 125 125 SER N N 125 110.921 110.921 117.389 -6.468 19731 10438 1 10 . 1 1 125 125 SER HA H 125 4.177 4.177 4.133 0.044 19731 10439 1 10 . 1 1 125 125 SER C C 125 178.729 178.729 176.191 2.538 19731 10440 1 10 . 1 1 125 125 SER CA C 125 61.619 61.619 61.505 0.114 19731 10441 1 10 . 1 1 125 125 SER CB C 125 63.263 63.263 62.746 0.517 19731 10442 1 10 . 1 1 125 125 SER H H 125 7.397 7.397 8.322 -0.925 19731 10443 1 10 . 1 1 126 126 LYS N N 126 119.572 119.572 119.646 -0.074 19731 10444 1 10 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.125 0.122 19731 10445 1 10 . 1 1 126 126 LYS C C 126 178.407 178.407 177.844 0.563 19731 10446 1 10 . 1 1 126 126 LYS CA C 126 58.019 58.019 58.052 -0.033 19731 10447 1 10 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.426 -0.552 19731 10448 1 10 . 1 1 126 126 LYS H H 126 8.457 8.457 8.154 0.303 19731 10449 1 10 . 1 1 127 127 LEU N N 127 119.633 119.633 117.152 2.481 19731 10450 1 10 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.390 0.175 19731 10451 1 10 . 1 1 127 127 LEU C C 127 176.542 176.542 178.419 -1.877 19731 10452 1 10 . 1 1 127 127 LEU CA C 127 54.291 54.291 55.224 -0.933 19731 10453 1 10 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.802 -2.351 19731 10454 1 10 . 1 1 127 127 LEU H H 127 7.753 7.753 7.490 0.263 19731 10455 1 10 . 1 1 128 128 GLY N N 128 107.827 107.827 108.815 -0.988 19731 10456 1 10 . 1 1 128 128 GLY C C 128 179.094 179.094 174.995 4.099 19731 10457 1 10 . 1 1 128 128 GLY CA C 128 46.903 46.903 46.827 0.076 19731 10458 1 10 . 1 1 128 128 GLY H H 128 7.773 7.773 8.512 -0.739 19731 10459 1 10 . 1 1 129 129 ASN N N 129 115.879 115.879 121.546 -5.667 19731 10460 1 10 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.822 -0.470 19731 10461 1 10 . 1 1 129 129 ASN C C 129 175.028 175.028 174.366 0.662 19731 10462 1 10 . 1 1 129 129 ASN CA C 129 54.261 54.261 52.717 1.544 19731 10463 1 10 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.842 -1.802 19731 10464 1 10 . 1 1 129 129 ASN H H 129 8.246 8.246 8.468 -0.222 19731 10465 1 10 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.784 -0.090 19731 10466 1 10 . 1 1 131 131 LYS C C 131 178.450 178.450 175.721 2.729 19731 10467 1 10 . 1 1 131 131 LYS CA C 131 56.554 56.554 55.492 1.062 19731 10468 1 10 . 1 1 131 131 LYS CB C 131 33.204 33.204 33.453 -0.249 19731 10469 1 10 . 1 1 132 132 GLU N N 132 119.297 119.297 119.538 -0.241 19731 10470 1 10 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.280 -0.407 19731 10471 1 10 . 1 1 132 132 GLU C C 132 175.318 175.318 175.110 0.208 19731 10472 1 10 . 1 1 132 132 GLU CA C 132 56.923 56.923 54.922 2.001 19731 10473 1 10 . 1 1 132 132 GLU CB C 132 27.803 27.803 30.206 -2.403 19731 10474 1 10 . 1 1 132 132 GLU H H 132 8.699 8.699 7.955 0.744 19731 10475 1 10 . 1 1 133 133 PHE N N 133 114.296 114.296 116.943 -2.647 19731 10476 1 10 . 1 1 133 133 PHE HA H 133 5.067 5.067 5.267 -0.200 19731 10477 1 10 . 1 1 133 133 PHE C C 133 177.785 177.785 174.889 2.896 19731 10478 1 10 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.515 -0.314 19731 10479 1 10 . 1 1 133 133 PHE CB C 133 40.249 40.249 38.770 1.480 19731 10480 1 10 . 1 1 133 133 PHE H H 133 6.669 6.669 7.533 -0.864 19731 10481 1 10 . 1 1 134 134 TYR N N 134 121.046 121.046 123.020 -1.974 19731 10482 1 10 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.071 -0.098 19731 10483 1 10 . 1 1 134 134 TYR C C 134 176.219 176.219 175.751 0.468 19731 10484 1 10 . 1 1 134 134 TYR CA C 134 59.506 59.506 58.008 1.498 19731 10485 1 10 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.091 1.567 19731 10486 1 10 . 1 1 134 134 TYR H H 134 9.230 9.230 8.227 1.003 19731 10487 1 10 . 1 1 135 135 ARG N N 135 119.639 119.639 119.756 -0.117 19731 10488 1 10 . 1 1 135 135 ARG HA H 135 5.908 5.908 4.942 0.966 19731 10489 1 10 . 1 1 135 135 ARG C C 135 174.353 174.353 173.723 0.630 19731 10490 1 10 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.269 -0.511 19731 10491 1 10 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.583 -1.396 19731 10492 1 10 . 1 1 135 135 ARG H H 135 9.896 9.896 8.858 1.038 19731 10493 1 10 . 1 1 136 136 LEU N N 136 126.108 126.108 116.823 9.285 19731 10494 1 10 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.077 -0.219 19731 10495 1 10 . 1 1 136 136 LEU C C 136 173.131 173.131 175.405 -2.274 19731 10496 1 10 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.157 1.575 19731 10497 1 10 . 1 1 136 136 LEU CB C 136 42.989 42.989 45.466 -2.477 19731 10498 1 10 . 1 1 136 136 LEU H H 136 8.601 8.601 8.248 0.353 19731 10499 1 10 . 1 1 137 137 ARG N N 137 124.421 124.421 118.622 5.799 19731 10500 1 10 . 1 1 137 137 ARG HA H 137 3.540 3.540 5.213 -1.673 19731 10501 1 10 . 1 1 137 137 ARG C C 137 174.010 174.010 175.152 -1.142 19731 10502 1 10 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.566 0.918 19731 10503 1 10 . 1 1 137 137 ARG CB C 137 32.265 32.265 32.844 -0.579 19731 10504 1 10 . 1 1 137 137 ARG H H 137 9.230 9.230 8.733 0.497 19731 10505 1 10 . 1 1 138 138 LEU N N 138 125.827 125.827 124.212 1.615 19731 10506 1 10 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.690 -0.241 19731 10507 1 10 . 1 1 138 138 LEU C C 138 175.940 175.940 176.666 -0.726 19731 10508 1 10 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.423 0.447 19731 10509 1 10 . 1 1 138 138 LEU CB C 138 41.580 41.580 43.379 -1.799 19731 10510 1 10 . 1 1 138 138 LEU H H 138 8.640 8.640 7.872 0.768 19731 10511 1 10 . 1 1 139 139 GLY N N 139 113.171 113.171 110.856 2.315 19731 10512 1 10 . 1 1 139 139 GLY C C 139 174.353 174.353 173.742 0.611 19731 10513 1 10 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.011 3.771 19731 10514 1 10 . 1 1 139 139 GLY H H 139 8.578 8.578 8.601 -0.023 19731 10515 1 10 . 1 1 140 140 ILE N N 140 112.046 112.046 120.335 -8.289 19731 10516 1 10 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.479 0.282 19731 10517 1 10 . 1 1 140 140 ILE C C 140 178.707 178.707 174.387 4.320 19731 10518 1 10 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.878 0.959 19731 10519 1 10 . 1 1 140 140 ILE CB C 140 42.050 42.050 39.048 3.002 19731 10520 1 10 . 1 1 140 140 ILE H H 140 8.125 8.125 7.919 0.206 19731 10521 1 10 . 1 1 141 141 GLY N N 141 116.265 116.265 108.688 7.577 19731 10522 1 10 . 1 1 141 141 GLY C C 141 167.232 167.232 172.865 -5.633 19731 10523 1 10 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.058 1.358 19731 10524 1 10 . 1 1 141 141 GLY H H 141 9.411 9.411 7.842 1.569 19731 10525 1 10 . 1 1 142 142 HIS N N 142 113.452 113.452 121.087 -7.635 19731 10526 1 10 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.730 -0.365 19731 10527 1 10 . 1 1 142 142 HIS C C 142 175.640 175.640 172.431 3.209 19731 10528 1 10 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.992 1.095 19731 10529 1 10 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.169 4.444 19731 10530 1 10 . 1 1 142 142 HIS H H 142 7.578 7.578 7.951 -0.373 19731 10531 1 10 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.113 0.510 19731 10532 1 10 . 1 1 143 143 PRO C C 143 176.842 176.842 176.023 0.819 19731 10533 1 10 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.273 -0.350 19731 10534 1 10 . 1 1 143 143 PRO CB C 143 32.828 32.828 30.985 1.843 19731 10535 1 10 . 1 1 144 144 GLY N N 144 106.468 106.468 111.278 -4.810 19731 10536 1 10 . 1 1 144 144 GLY C C 144 173.411 173.411 173.573 -0.162 19731 10537 1 10 . 1 1 144 144 GLY CA C 144 45.221 45.221 44.515 0.706 19731 10538 1 10 . 1 1 144 144 GLY H H 144 8.133 8.133 7.612 0.521 19731 10539 1 10 . 1 1 145 145 HIS N N 145 117.271 117.271 121.632 -4.361 19731 10540 1 10 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.827 -0.293 19731 10541 1 10 . 1 1 145 145 HIS C C 145 176.636 176.636 176.384 0.252 19731 10542 1 10 . 1 1 145 145 HIS CA C 145 57.079 57.079 56.338 0.741 19731 10543 1 10 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.342 2.802 19731 10544 1 10 . 1 1 145 145 HIS H H 145 7.067 7.067 8.779 -1.712 19731 10545 1 10 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.333 -0.091 19731 10546 1 10 . 1 1 146 146 LYS C C 146 178.429 178.429 178.096 0.333 19731 10547 1 10 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.429 0.118 19731 10548 1 10 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.827 -0.561 19731 10549 1 10 . 1 1 147 147 ASP N N 147 122.171 122.171 119.735 2.436 19731 10550 1 10 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.564 0.073 19731 10551 1 10 . 1 1 147 147 ASP C C 147 177.442 177.442 176.718 0.724 19731 10552 1 10 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.727 -0.588 19731 10553 1 10 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.790 -0.697 19731 10554 1 10 . 1 1 147 147 ASP H H 147 10.805 10.805 8.765 2.040 19731 10555 1 10 . 1 1 148 148 LYS N N 148 116.546 116.546 118.560 -2.014 19731 10556 1 10 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.529 -0.015 19731 10557 1 10 . 1 1 148 148 LYS C C 148 177.163 177.163 177.225 -0.062 19731 10558 1 10 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.889 0.938 19731 10559 1 10 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.193 3.420 19731 10560 1 10 . 1 1 148 148 LYS H H 148 7.775 7.775 8.300 -0.525 19731 10561 1 10 . 1 1 149 149 VAL N N 149 121.046 121.046 117.788 3.258 19731 10562 1 10 . 1 1 149 149 VAL HA H 149 3.245 3.245 2.868 0.377 19731 10563 1 10 . 1 1 149 149 VAL C C 149 176.241 176.241 176.799 -0.558 19731 10564 1 10 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.249 2.946 19731 10565 1 10 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.216 0.893 19731 10566 1 10 . 1 1 149 149 VAL H H 149 7.366 7.366 7.237 0.129 19731 10567 1 10 . 1 1 150 150 ALA N N 150 121.889 121.889 121.640 0.249 19731 10568 1 10 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.861 0.188 19731 10569 1 10 . 1 1 150 150 ALA C C 150 180.016 180.016 179.543 0.473 19731 10570 1 10 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.589 1.238 19731 10571 1 10 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.855 -0.228 19731 10572 1 10 . 1 1 150 150 ALA H H 150 8.675 8.675 8.153 0.522 19731 10573 1 10 . 1 1 151 151 GLY N N 151 102.202 102.202 107.051 -4.849 19731 10574 1 10 . 1 1 151 151 GLY C C 151 175.919 175.919 175.486 0.433 19731 10575 1 10 . 1 1 151 151 GLY CA C 151 45.964 45.964 47.053 -1.089 19731 10576 1 10 . 1 1 151 151 GLY H H 151 8.366 8.366 8.125 0.241 19731 10577 1 10 . 1 1 152 152 TYR N N 152 123.296 123.296 117.910 5.386 19731 10578 1 10 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.289 -0.058 19731 10579 1 10 . 1 1 152 152 TYR C C 152 179.694 179.694 177.078 2.616 19731 10580 1 10 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.306 3.079 19731 10581 1 10 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.385 3.099 19731 10582 1 10 . 1 1 152 152 TYR H H 152 7.942 7.942 6.804 1.138 19731 10583 1 10 . 1 1 153 153 VAL N N 153 112.890 112.890 119.353 -6.463 19731 10584 1 10 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.997 0.031 19731 10585 1 10 . 1 1 153 153 VAL C C 153 175.620 175.620 176.991 -1.371 19731 10586 1 10 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.211 -0.069 19731 10587 1 10 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.406 -1.315 19731 10588 1 10 . 1 1 153 153 VAL H H 153 8.618 8.618 7.652 0.966 19731 10589 1 10 . 1 1 154 154 LEU N N 154 117.108 117.108 110.608 6.500 19731 10590 1 10 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.754 -0.037 19731 10591 1 10 . 1 1 154 154 LEU C C 154 175.297 175.297 176.315 -1.018 19731 10592 1 10 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.591 0.357 19731 10593 1 10 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.982 -1.341 19731 10594 1 10 . 1 1 154 154 LEU H H 154 6.897 6.897 8.144 -1.247 19731 10595 1 10 . 1 1 155 155 GLY N N 155 107.827 107.827 109.543 -1.716 19731 10596 1 10 . 1 1 155 155 GLY C C 155 171.844 171.844 172.950 -1.106 19731 10597 1 10 . 1 1 155 155 GLY CA C 155 43.615 43.615 44.654 -1.038 19731 10598 1 10 . 1 1 155 155 GLY H H 155 7.351 7.351 7.654 -0.303 19731 10599 1 10 . 1 1 156 156 LYS N N 156 118.233 118.233 118.668 -0.435 19731 10600 1 10 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.711 -0.055 19731 10601 1 10 . 1 1 156 156 LYS C C 156 176.541 176.541 176.718 -0.177 19731 10602 1 10 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.349 -0.462 19731 10603 1 10 . 1 1 156 156 LYS CB C 156 33.518 33.518 33.746 -0.228 19731 10604 1 10 . 1 1 156 156 LYS H H 156 8.154 8.154 8.354 -0.200 19731 10605 1 10 . 1 1 157 157 ALA N N 157 130.608 130.608 129.401 1.207 19731 10606 1 10 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.701 -0.307 19731 10607 1 10 . 1 1 157 157 ALA C C 157 175.876 175.876 175.413 0.463 19731 10608 1 10 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.521 1.374 19731 10609 1 10 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.419 -0.635 19731 10610 1 10 . 1 1 157 157 ALA H H 157 9.777 9.777 8.421 1.356 19731 10611 1 10 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.536 -0.020 19731 10612 1 10 . 1 1 158 158 PRO C C 158 176.532 176.532 177.166 -0.634 19731 10613 1 10 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.128 0.039 19731 10614 1 10 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.261 0.082 19731 10615 1 10 . 1 1 159 159 ALA N N 159 123.733 123.733 125.226 -1.493 19731 10616 1 10 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.018 0.026 19731 10617 1 10 . 1 1 159 159 ALA C C 159 179.706 179.706 179.200 0.506 19731 10618 1 10 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.667 1.099 19731 10619 1 10 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.146 0.733 19731 10620 1 10 . 1 1 159 159 ALA H H 159 8.575 8.575 8.592 -0.017 19731 10621 1 10 . 1 1 160 160 LYS N N 160 116.796 116.796 117.765 -0.969 19731 10622 1 10 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.329 -0.172 19731 10623 1 10 . 1 1 160 160 LYS C C 160 179.115 179.115 178.893 0.222 19731 10624 1 10 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.841 0.117 19731 10625 1 10 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.380 0.181 19731 10626 1 10 . 1 1 160 160 LYS H H 160 8.883 8.883 8.561 0.322 19731 10627 1 10 . 1 1 161 161 GLU N N 161 118.514 118.514 120.983 -2.469 19731 10628 1 10 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.215 -0.101 19731 10629 1 10 . 1 1 161 161 GLU C C 161 178.707 178.707 179.072 -0.365 19731 10630 1 10 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.715 0.634 19731 10631 1 10 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.336 1.911 19731 10632 1 10 . 1 1 161 161 GLU H H 161 6.988 6.988 7.819 -0.831 19731 10633 1 10 . 1 1 162 162 GLN N N 162 120.202 120.202 118.891 1.311 19731 10634 1 10 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.013 -0.313 19731 10635 1 10 . 1 1 162 162 GLN C C 162 177.184 177.184 178.803 -1.619 19731 10636 1 10 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.727 -0.708 19731 10637 1 10 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.464 -0.191 19731 10638 1 10 . 1 1 162 162 GLN H H 162 8.988 8.988 8.550 0.438 19731 10639 1 10 . 1 1 163 163 GLU N N 163 117.952 117.952 119.750 -1.798 19731 10640 1 10 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.150 -0.010 19731 10641 1 10 . 1 1 163 163 GLU C C 163 180.273 180.273 178.741 1.532 19731 10642 1 10 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.199 0.698 19731 10643 1 10 . 1 1 163 163 GLU CB C 163 29.760 29.760 29.414 0.346 19731 10644 1 10 . 1 1 163 163 GLU H H 163 8.063 8.063 8.663 -0.600 19731 10645 1 10 . 1 1 164 164 CYS N N 164 118.796 118.796 117.101 1.695 19731 10646 1 10 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.287 -0.147 19731 10647 1 10 . 1 1 164 164 CYS C C 164 176.562 176.562 176.230 0.332 19731 10648 1 10 . 1 1 164 164 CYS CA C 164 63.420 63.420 62.745 0.675 19731 10649 1 10 . 1 1 164 164 CYS CB C 164 26.316 26.316 27.818 -1.502 19731 10650 1 10 . 1 1 164 164 CYS H H 164 7.306 7.306 7.652 -0.346 19731 10651 1 10 . 1 1 165 165 LEU N N 165 121.327 121.327 122.046 -0.719 19731 10652 1 10 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.145 0.152 19731 10653 1 10 . 1 1 165 165 LEU C C 165 179.029 179.029 178.418 0.611 19731 10654 1 10 . 1 1 165 165 LEU CA C 165 58.410 58.410 57.466 0.944 19731 10655 1 10 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.868 0.417 19731 10656 1 10 . 1 1 165 165 LEU H H 165 8.357 8.357 8.183 0.174 19731 10657 1 10 . 1 1 166 166 ASP N N 166 119.358 119.358 120.054 -0.696 19731 10658 1 10 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.473 -0.242 19731 10659 1 10 . 1 1 166 166 ASP C C 166 179.029 179.029 177.843 1.186 19731 10660 1 10 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.344 0.048 19731 10661 1 10 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.677 -0.976 19731 10662 1 10 . 1 1 166 166 ASP H H 166 9.169 9.169 8.570 0.599 19731 10663 1 10 . 1 1 167 167 ALA N N 167 122.171 122.171 120.984 1.187 19731 10664 1 10 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.232 0.090 19731 10665 1 10 . 1 1 167 167 ALA C C 167 180.616 180.616 179.230 1.386 19731 10666 1 10 . 1 1 167 167 ALA CA C 167 54.966 54.966 54.775 0.191 19731 10667 1 10 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.319 0.170 19731 10668 1 10 . 1 1 167 167 ALA H H 167 7.745 7.745 7.430 0.315 19731 10669 1 10 . 1 1 168 168 ALA N N 168 122.452 122.452 119.723 2.729 19731 10670 1 10 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.594 -0.530 19731 10671 1 10 . 1 1 168 168 ALA C C 168 180.917 180.917 179.385 1.532 19731 10672 1 10 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.339 1.096 19731 10673 1 10 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.416 -0.711 19731 10674 1 10 . 1 1 168 168 ALA H H 168 8.164 8.164 7.663 0.501 19731 10675 1 10 . 1 1 169 169 VAL N N 169 124.702 124.702 119.232 5.470 19731 10676 1 10 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.642 -0.200 19731 10677 1 10 . 1 1 169 169 VAL C C 169 177.442 177.442 177.317 0.125 19731 10678 1 10 . 1 1 169 169 VAL CA C 169 67.725 67.725 67.300 0.425 19731 10679 1 10 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.707 -0.068 19731 10680 1 10 . 1 1 169 169 VAL H H 169 9.052 9.052 7.507 1.545 19731 10681 1 10 . 1 1 170 170 ASP N N 170 119.358 119.358 120.216 -0.858 19731 10682 1 10 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.202 0.033 19731 10683 1 10 . 1 1 170 170 ASP C C 170 178.750 178.750 178.405 0.345 19731 10684 1 10 . 1 1 170 170 ASP CA C 170 57.862 57.862 58.023 -0.161 19731 10685 1 10 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.764 -0.045 19731 10686 1 10 . 1 1 170 170 ASP H H 170 8.139 8.139 7.724 0.415 19731 10687 1 10 . 1 1 171 171 GLU N N 171 119.639 119.639 119.184 0.455 19731 10688 1 10 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.695 0.447 19731 10689 1 10 . 1 1 171 171 GLU C C 171 179.050 179.050 178.940 0.110 19731 10690 1 10 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.955 -0.780 19731 10691 1 10 . 1 1 171 171 GLU CB C 171 28.116 28.116 29.486 -1.370 19731 10692 1 10 . 1 1 171 171 GLU H H 171 7.821 7.821 7.777 0.044 19731 10693 1 10 . 1 1 172 172 SER N N 172 119.251 119.251 114.918 4.333 19731 10694 1 10 . 1 1 172 172 SER HA H 172 3.818 3.818 4.194 -0.376 19731 10695 1 10 . 1 1 172 172 SER C C 172 175.919 175.919 177.225 -1.306 19731 10696 1 10 . 1 1 172 172 SER CA C 172 64.594 64.594 61.342 3.252 19731 10697 1 10 . 1 1 172 172 SER CB C 172 62.794 62.794 62.935 -0.141 19731 10698 1 10 . 1 1 172 172 SER H H 172 8.457 8.457 7.979 0.478 19731 10699 1 10 . 1 1 173 173 VAL N N 173 121.889 121.889 117.980 3.909 19731 10700 1 10 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.846 -0.384 19731 10701 1 10 . 1 1 173 173 VAL C C 173 178.407 178.407 177.280 1.127 19731 10702 1 10 . 1 1 173 173 VAL CA C 173 67.803 67.803 65.593 2.210 19731 10703 1 10 . 1 1 173 173 VAL CB C 173 31.404 31.404 30.785 0.619 19731 10704 1 10 . 1 1 173 173 VAL H H 173 8.316 8.316 8.289 0.027 19731 10705 1 10 . 1 1 174 174 ARG N N 174 118.796 118.796 118.737 0.059 19731 10706 1 10 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.296 -0.164 19731 10707 1 10 . 1 1 174 174 ARG C C 174 180.938 180.938 178.406 2.532 19731 10708 1 10 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.712 0.795 19731 10709 1 10 . 1 1 174 174 ARG CB C 174 30.073 30.073 30.174 -0.101 19731 10710 1 10 . 1 1 174 174 ARG H H 174 7.669 7.669 7.509 0.160 19731 10711 1 10 . 1 1 175 175 CYS N N 175 117.070 117.070 117.754 -0.684 19731 10712 1 10 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.353 -0.026 19731 10713 1 10 . 1 1 175 175 CYS C C 175 176.541 176.541 176.208 0.333 19731 10714 1 10 . 1 1 175 175 CYS CA C 175 64.437 64.437 60.473 3.964 19731 10715 1 10 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.879 0.376 19731 10716 1 10 . 1 1 175 175 CYS H H 175 8.649 8.649 7.878 0.771 19731 10717 1 10 . 1 1 176 176 LEU N N 176 125.264 125.264 120.799 4.465 19731 10718 1 10 . 1 1 176 176 LEU HA H 176 4.080 4.080 4.123 -0.043 19731 10719 1 10 . 1 1 176 176 LEU C C 176 178.450 178.450 179.146 -0.696 19731 10720 1 10 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.127 0.736 19731 10721 1 10 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.281 0.612 19731 10722 1 10 . 1 1 176 176 LEU H H 176 8.699 8.699 7.687 1.012 19731 10723 1 10 . 1 1 177 177 GLU N N 177 118.260 118.260 120.418 -2.158 19731 10724 1 10 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.055 -0.294 19731 10725 1 10 . 1 1 177 177 GLU C C 177 179.029 179.029 178.886 0.143 19731 10726 1 10 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.462 1.061 19731 10727 1 10 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.710 -0.498 19731 10728 1 10 . 1 1 177 177 GLU H H 177 7.533 7.533 7.497 0.036 19731 10729 1 10 . 1 1 178 178 ILE N N 178 118.788 118.788 120.040 -1.252 19731 10730 1 10 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.854 -0.177 19731 10731 1 10 . 1 1 178 178 ILE C C 178 177.785 177.785 178.713 -0.928 19731 10732 1 10 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.411 1.731 19731 10733 1 10 . 1 1 178 178 ILE CB C 178 38.527 38.527 36.921 1.606 19731 10734 1 10 . 1 1 178 178 ILE H H 178 7.384 7.384 7.430 -0.046 19731 10735 1 10 . 1 1 179 179 LEU N N 179 123.577 123.577 120.681 2.896 19731 10736 1 10 . 1 1 179 179 LEU HA H 179 3.700 3.700 3.962 -0.262 19731 10737 1 10 . 1 1 179 179 LEU C C 179 178.129 178.129 178.276 -0.147 19731 10738 1 10 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.347 0.298 19731 10739 1 10 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.087 -0.194 19731 10740 1 10 . 1 1 179 179 LEU H H 179 8.503 8.503 8.343 0.160 19731 10741 1 10 . 1 1 180 180 MET N N 180 113.171 113.171 114.135 -0.964 19731 10742 1 10 . 1 1 180 180 MET HA H 180 4.186 4.186 4.307 -0.121 19731 10743 1 10 . 1 1 180 180 MET C C 180 176.498 176.498 177.715 -1.217 19731 10744 1 10 . 1 1 180 180 MET CA C 180 55.905 55.905 57.799 -1.894 19731 10745 1 10 . 1 1 180 180 MET CB C 180 31.013 31.013 33.020 -2.007 19731 10746 1 10 . 1 1 180 180 MET H H 180 7.139 7.139 7.439 -0.300 19731 10747 1 10 . 1 1 181 181 LYS N N 181 117.952 117.952 115.401 2.551 19731 10748 1 10 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.422 -0.149 19731 10749 1 10 . 1 1 181 181 LYS C C 181 176.542 176.542 177.341 -0.799 19731 10750 1 10 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.104 1.619 19731 10751 1 10 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.257 1.670 19731 10752 1 10 . 1 1 181 181 LYS H H 181 7.665 7.665 7.706 -0.041 19731 10753 1 10 . 1 1 182 182 ASP N N 182 116.827 116.827 118.611 -1.784 19731 10754 1 10 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.812 0.108 19731 10755 1 10 . 1 1 182 182 ASP C C 182 177.485 177.485 175.517 1.968 19731 10756 1 10 . 1 1 182 182 ASP CA C 182 54.887 54.887 54.741 0.146 19731 10757 1 10 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.030 1.760 19731 10758 1 10 . 1 1 182 182 ASP H H 182 9.191 9.191 8.270 0.921 19731 10759 1 10 . 1 1 183 183 GLY N N 183 110.358 110.358 107.788 2.570 19731 10760 1 10 . 1 1 183 183 GLY C C 183 173.410 173.410 174.699 -1.289 19731 10761 1 10 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.596 0.044 19731 10762 1 10 . 1 1 183 183 GLY H H 183 7.745 7.745 7.607 0.138 19731 10763 1 10 . 1 1 184 184 LEU N N 184 118.796 118.796 117.916 0.880 19731 10764 1 10 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.003 -0.303 19731 10765 1 10 . 1 1 184 184 LEU C C 184 177.506 177.506 177.888 -0.382 19731 10766 1 10 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.324 1.087 19731 10767 1 10 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.065 1.141 19731 10768 1 10 . 1 1 184 184 LEU H H 184 8.381 8.381 8.542 -0.161 19731 10769 1 10 . 1 1 185 185 THR N N 185 115.421 115.421 110.728 4.693 19731 10770 1 10 . 1 1 185 185 THR HA H 185 3.819 3.819 3.897 -0.078 19731 10771 1 10 . 1 1 185 185 THR C C 185 176.520 176.520 176.463 0.057 19731 10772 1 10 . 1 1 185 185 THR CA C 185 67.021 67.021 65.240 1.781 19731 10773 1 10 . 1 1 185 185 THR CB C 185 68.351 68.351 68.342 0.009 19731 10774 1 10 . 1 1 185 185 THR H H 185 8.336 8.336 7.914 0.422 19731 10775 1 10 . 1 1 186 186 LYS N N 186 120.202 120.202 121.966 -1.764 19731 10776 1 10 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.090 -0.132 19731 10777 1 10 . 1 1 186 186 LYS C C 186 179.329 179.329 178.699 0.630 19731 10778 1 10 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.774 0.773 19731 10779 1 10 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.698 0.645 19731 10780 1 10 . 1 1 186 186 LYS H H 186 8.237 8.237 7.539 0.698 19731 10781 1 10 . 1 1 187 187 ALA N N 187 121.889 121.889 121.881 0.008 19731 10782 1 10 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.088 -0.175 19731 10783 1 10 . 1 1 187 187 ALA C C 187 178.772 178.772 179.738 -0.966 19731 10784 1 10 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.138 0.767 19731 10785 1 10 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.063 1.521 19731 10786 1 10 . 1 1 187 187 ALA H H 187 7.566 7.566 7.541 0.025 19731 10787 1 10 . 1 1 188 188 GLN N N 188 117.952 117.952 119.217 -1.265 19731 10788 1 10 . 1 1 188 188 GLN HA H 188 3.809 3.809 4.109 -0.300 19731 10789 1 10 . 1 1 188 188 GLN C C 188 176.863 176.863 178.242 -1.379 19731 10790 1 10 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.616 0.420 19731 10791 1 10 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.267 0.789 19731 10792 1 10 . 1 1 188 188 GLN H H 188 9.125 9.125 8.218 0.907 19731 10793 1 10 . 1 1 189 189 ASN N N 189 117.100 117.100 118.241 -1.141 19731 10794 1 10 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.501 -0.075 19731 10795 1 10 . 1 1 189 189 ASN C C 189 177.463 177.463 177.754 -0.291 19731 10796 1 10 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.369 -0.699 19731 10797 1 10 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.331 -0.352 19731 10798 1 10 . 1 1 189 189 ASN H H 189 8.275 8.275 8.234 0.041 19731 10799 1 10 . 1 1 190 190 ARG N N 190 117.389 117.389 120.043 -2.654 19731 10800 1 10 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.140 0.355 19731 10801 1 10 . 1 1 190 190 ARG C C 190 178.428 178.428 178.976 -0.548 19731 10802 1 10 . 1 1 190 190 ARG CA C 190 59.036 59.036 58.740 0.296 19731 10803 1 10 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.814 -0.054 19731 10804 1 10 . 1 1 190 190 ARG H H 190 7.230 7.230 8.118 -0.888 19731 10805 1 10 . 1 1 191 191 LEU N N 191 122.155 122.155 120.060 2.095 19731 10806 1 10 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.066 0.074 19731 10807 1 10 . 1 1 191 191 LEU C C 191 179.373 179.373 179.282 0.091 19731 10808 1 10 . 1 1 191 191 LEU CA C 191 58.645 58.645 58.115 0.530 19731 10809 1 10 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.804 -0.302 19731 10810 1 10 . 1 1 191 191 LEU H H 191 8.624 8.624 8.716 -0.092 19731 10811 1 10 . 1 1 192 192 HIS N N 192 113.452 113.452 115.912 -2.460 19731 10812 1 10 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.506 0.585 19731 10813 1 10 . 1 1 192 192 HIS C C 192 177.163 177.163 176.408 0.755 19731 10814 1 10 . 1 1 192 192 HIS CA C 192 57.001 57.001 58.257 -1.256 19731 10815 1 10 . 1 1 192 192 HIS CB C 192 28.351 28.351 30.210 -1.859 19731 10816 1 10 . 1 1 192 192 HIS H H 192 9.017 9.017 8.581 0.436 19731 10817 1 10 . 1 1 193 193 THR N N 193 110.077 110.077 114.641 -4.564 19731 10818 1 10 . 1 1 193 193 THR HA H 193 4.499 4.499 4.142 0.357 19731 10819 1 10 . 1 1 193 193 THR C C 193 174.053 174.053 174.550 -0.497 19731 10820 1 10 . 1 1 193 193 THR CA C 193 62.011 62.011 64.197 -2.186 19731 10821 1 10 . 1 1 193 193 THR CB C 193 69.995 69.995 70.024 -0.029 19731 10822 1 10 . 1 1 193 193 THR H H 193 7.632 7.632 7.509 0.123 19731 10823 1 10 . 1 1 194 194 PHE N N 194 124.702 124.702 124.459 0.243 19731 10824 1 10 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.335 0.114 19731 10825 1 10 . 1 1 194 194 PHE C C 194 175.640 175.640 173.776 1.864 19731 10826 1 10 . 1 1 194 194 PHE CA C 194 59.271 59.271 59.090 0.181 19731 10827 1 10 . 1 1 194 194 PHE CB C 194 39.858 39.858 39.813 0.045 19731 10828 1 10 . 1 1 194 194 PHE H H 194 7.722 7.722 8.133 -0.411 19731 10829 1 10 . 1 1 195 195 LYS N N 195 128.639 128.639 124.724 3.915 19731 10830 1 10 . 1 1 195 195 LYS HA H 195 4.195 4.195 5.413 -1.218 19731 10831 1 10 . 1 1 195 195 LYS C C 195 174.032 174.032 174.512 -0.480 19731 10832 1 10 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.507 2.946 19731 10833 1 10 . 1 1 195 195 LYS CB C 195 34.927 34.927 36.309 -1.382 19731 10834 1 10 . 1 1 195 195 LYS H H 195 7.615 7.615 7.511 0.104 19731 10835 1 10 . 1 1 196 196 ALA N N 196 129.483 129.483 124.659 4.824 19731 10836 1 10 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.309 -0.030 19731 10837 1 10 . 1 1 196 196 ALA C C 196 175.619 175.619 177.293 -1.674 19731 10838 1 10 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.554 -0.406 19731 10839 1 10 . 1 1 196 196 ALA CB C 196 20.602 20.602 19.107 1.495 19731 10840 1 10 . 1 1 196 196 ALA H H 196 8.324 8.324 8.220 0.104 19731 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 180 4.448 0.416 4.441 19731 2 1 1 "Average Difference" HA 210 0.400 0.077 0.393 19731 3 1 1 "Average Difference" C 189 1.449 -0.101 1.449 19731 4 1 1 "Average Difference" CA 191 1.463 -0.468 1.389 19731 5 1 1 "Average Difference" CB 172 1.340 -0.333 1.302 19731 6 1 1 "Average Difference" HN 180 0.793 -0.190 0.772 19731 7 1 2 "Average Difference" N 180 4.640 0.253 4.646 19731 8 1 2 "Average Difference" HA 210 0.388 0.062 0.383 19731 9 1 2 "Average Difference" C 189 1.389 -0.058 1.391 19731 10 1 2 "Average Difference" CA 191 1.343 -0.431 1.276 19731 11 1 2 "Average Difference" CB 172 1.436 -0.389 1.386 19731 12 1 2 "Average Difference" HN 180 0.761 -0.222 0.730 19731 13 1 3 "Average Difference" N 180 4.453 0.243 4.459 19731 14 1 3 "Average Difference" HA 210 0.388 0.054 0.386 19731 15 1 3 "Average Difference" C 189 1.428 -0.035 1.432 19731 16 1 3 "Average Difference" CA 191 1.366 -0.424 1.302 19731 17 1 3 "Average Difference" CB 172 1.498 -0.454 1.431 19731 18 1 3 "Average Difference" HN 180 0.795 -0.209 0.769 19731 19 1 4 "Average Difference" N 180 4.503 0.224 4.510 19731 20 1 4 "Average Difference" HA 210 0.380 0.056 0.377 19731 21 1 4 "Average Difference" C 189 1.464 -0.073 1.466 19731 22 1 4 "Average Difference" CA 191 1.456 -0.471 1.381 19731 23 1 4 "Average Difference" CB 172 1.509 -0.505 1.426 19731 24 1 4 "Average Difference" HN 180 0.801 -0.238 0.766 19731 25 1 5 "Average Difference" N 180 4.666 0.179 4.675 19731 26 1 5 "Average Difference" HA 210 0.390 0.067 0.385 19731 27 1 5 "Average Difference" C 189 1.424 -0.044 1.428 19731 28 1 5 "Average Difference" CA 191 1.399 -0.494 1.312 19731 29 1 5 "Average Difference" CB 172 1.518 -0.396 1.470 19731 30 1 5 "Average Difference" HN 180 0.731 -0.198 0.706 19731 31 1 6 "Average Difference" N 180 4.595 0.203 4.604 19731 32 1 6 "Average Difference" HA 210 0.395 0.044 0.394 19731 33 1 6 "Average Difference" C 189 1.437 -0.066 1.439 19731 34 1 6 "Average Difference" CA 191 1.382 -0.415 1.322 19731 35 1 6 "Average Difference" CB 172 1.413 -0.396 1.360 19731 36 1 6 "Average Difference" HN 180 0.757 -0.212 0.728 19731 37 1 7 "Average Difference" N 180 4.564 0.265 4.569 19731 38 1 7 "Average Difference" HA 210 0.386 0.089 0.377 19731 39 1 7 "Average Difference" C 189 1.449 -0.054 1.452 19731 40 1 7 "Average Difference" CA 191 1.414 -0.478 1.334 19731 41 1 7 "Average Difference" CB 172 1.425 -0.389 1.374 19731 42 1 7 "Average Difference" HN 180 0.742 -0.195 0.718 19731 43 1 8 "Average Difference" N 180 4.508 0.261 4.513 19731 44 1 8 "Average Difference" HA 210 0.412 0.063 0.408 19731 45 1 8 "Average Difference" C 189 1.411 -0.082 1.412 19731 46 1 8 "Average Difference" CA 191 1.413 -0.556 1.302 19731 47 1 8 "Average Difference" CB 172 1.375 -0.441 1.306 19731 48 1 8 "Average Difference" HN 180 0.793 -0.260 0.751 19731 49 1 9 "Average Difference" N 180 4.473 0.303 4.476 19731 50 1 9 "Average Difference" HA 210 0.364 0.064 0.360 19731 51 1 9 "Average Difference" C 189 1.388 -0.066 1.390 19731 52 1 9 "Average Difference" CA 191 1.416 -0.464 1.341 19731 53 1 9 "Average Difference" CB 172 1.490 -0.402 1.438 19731 54 1 9 "Average Difference" HN 180 0.766 -0.243 0.728 19731 55 1 10 "Average Difference" N 180 4.564 0.150 4.575 19731 56 1 10 "Average Difference" HA 210 0.407 0.088 0.398 19731 57 1 10 "Average Difference" C 189 1.412 -0.017 1.416 19731 58 1 10 "Average Difference" CA 191 1.362 -0.438 1.293 19731 59 1 10 "Average Difference" CB 172 1.483 -0.343 1.447 19731 60 1 10 "Average Difference" HN 180 0.753 -0.209 0.726 19731 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 19731 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 122.420 122.420 118.718 3.702 19731 2 1 . 1 1 2 2 VAL HA H 2 4.167 4.167 4.385 -0.218 19731 3 1 . 1 1 2 2 VAL C C 2 175.919 175.919 175.644 0.275 19731 4 1 . 1 1 2 2 VAL CA C 2 62.167 62.167 61.883 0.284 19731 5 1 . 1 1 2 2 VAL CB C 2 33.109 33.109 32.803 0.306 19731 6 1 . 1 1 2 2 VAL H H 2 8.260 8.260 8.071 0.189 19731 7 1 . 1 1 3 3 SER N N 3 119.915 119.915 119.836 0.079 19731 8 1 . 1 1 3 3 SER HA H 3 4.134 4.134 4.380 -0.246 19731 9 1 . 1 1 3 3 SER C C 3 173.731 173.731 174.433 -0.702 19731 10 1 . 1 1 3 3 SER CA C 3 58.253 58.253 59.423 -1.170 19731 11 1 . 1 1 3 3 SER CB C 3 63.811 63.811 63.671 0.140 19731 12 1 . 1 1 3 3 SER H H 3 8.381 8.381 8.727 -0.346 19731 13 1 . 1 1 4 4 GLN N N 4 123.810 123.810 120.918 2.892 19731 14 1 . 1 1 4 4 GLN HA H 4 4.469 4.469 4.723 -0.254 19731 15 1 . 1 1 4 4 GLN C C 4 174.067 174.067 173.524 0.543 19731 16 1 . 1 1 4 4 GLN CA C 4 53.478 53.478 53.203 0.275 19731 17 1 . 1 1 4 4 GLN CB C 4 29.394 29.394 29.687 -0.292 19731 18 1 . 1 1 4 4 GLN H H 4 8.412 8.412 8.026 0.386 19731 19 1 . 1 1 5 5 PRO HA H 5 4.346 4.346 4.424 -0.078 19731 20 1 . 1 1 5 5 PRO C C 5 176.242 176.242 176.157 0.085 19731 21 1 . 1 1 5 5 PRO CA C 5 64.328 64.328 62.454 1.874 19731 22 1 . 1 1 5 5 PRO CB C 5 32.547 32.547 32.209 0.338 19731 23 1 . 1 1 6 6 ILE N N 6 114.232 114.232 122.391 -8.160 19731 24 1 . 1 1 6 6 ILE HA H 6 4.171 4.171 3.933 0.238 19731 25 1 . 1 1 6 6 ILE C C 6 175.577 175.577 176.331 -0.754 19731 26 1 . 1 1 6 6 ILE CA C 6 59.036 59.036 62.077 -3.041 19731 27 1 . 1 1 6 6 ILE CB C 6 38.684 38.684 38.239 0.445 19731 28 1 . 1 1 6 6 ILE H H 6 7.745 7.745 8.336 -0.591 19731 29 1 . 1 1 7 7 LYS N N 7 121.791 121.791 126.053 -4.262 19731 30 1 . 1 1 7 7 LYS HA H 7 4.488 4.488 4.324 0.164 19731 31 1 . 1 1 7 7 LYS C C 7 175.898 175.898 176.202 -0.304 19731 32 1 . 1 1 7 7 LYS CA C 7 56.766 56.766 57.391 -0.625 19731 33 1 . 1 1 7 7 LYS CB C 7 37.281 37.281 33.995 3.286 19731 34 1 . 1 1 7 7 LYS H H 7 9.462 9.462 8.354 1.108 19731 35 1 . 1 1 8 8 LEU N N 8 122.642 122.642 113.981 8.661 19731 36 1 . 1 1 8 8 LEU HA H 8 5.187 5.187 5.309 -0.122 19731 37 1 . 1 1 8 8 LEU C C 8 171.543 171.543 174.418 -2.875 19731 38 1 . 1 1 8 8 LEU CA C 8 53.219 53.219 53.705 -0.486 19731 39 1 . 1 1 8 8 LEU CB C 8 45.875 45.875 45.921 -0.046 19731 40 1 . 1 1 8 8 LEU H H 8 7.532 7.532 7.405 0.127 19731 41 1 . 1 1 9 9 LEU N N 9 128.904 128.904 120.057 8.847 19731 42 1 . 1 1 9 9 LEU HA H 9 5.551 5.551 5.496 0.055 19731 43 1 . 1 1 9 9 LEU C C 9 173.410 173.410 175.075 -1.665 19731 44 1 . 1 1 9 9 LEU CA C 9 53.063 53.063 52.573 0.490 19731 45 1 . 1 1 9 9 LEU CB C 9 45.563 45.563 44.680 0.883 19731 46 1 . 1 1 9 9 LEU H H 9 8.900 8.900 8.827 0.073 19731 47 1 . 1 1 10 10 VAL N N 10 126.431 126.431 118.471 7.960 19731 48 1 . 1 1 10 10 VAL HA H 10 5.344 5.344 5.240 0.104 19731 49 1 . 1 1 10 10 VAL C C 10 174.353 174.353 175.311 -0.958 19731 50 1 . 1 1 10 10 VAL CA C 10 58.880 58.880 59.529 -0.649 19731 51 1 . 1 1 10 10 VAL CB C 10 35.250 35.250 33.945 1.305 19731 52 1 . 1 1 10 10 VAL H H 10 9.246 9.246 9.103 0.143 19731 53 1 . 1 1 11 11 GLY N N 11 115.421 115.421 111.779 3.642 19731 54 1 . 1 1 11 11 GLY C C 11 170.943 170.943 172.738 -1.795 19731 55 1 . 1 1 11 11 GLY CA C 11 45.172 45.172 43.670 1.502 19731 56 1 . 1 1 11 11 GLY H H 11 8.738 8.738 8.744 -0.007 19731 57 1 . 1 1 12 12 LEU N N 12 119.415 119.415 124.696 -5.281 19731 58 1 . 1 1 12 12 LEU HA H 12 4.216 4.216 4.717 -0.501 19731 59 1 . 1 1 12 12 LEU C C 12 176.498 176.498 175.360 1.138 19731 60 1 . 1 1 12 12 LEU CA C 12 55.749 55.749 54.116 1.633 19731 61 1 . 1 1 12 12 LEU CB C 12 40.328 40.328 42.942 -2.614 19731 62 1 . 1 1 12 12 LEU H H 12 7.423 7.423 8.450 -1.027 19731 63 1 . 1 1 13 13 ALA N N 13 121.608 121.608 124.346 -2.738 19731 64 1 . 1 1 13 13 ALA HA H 13 4.368 4.368 4.490 -0.123 19731 65 1 . 1 1 13 13 ALA C C 13 177.463 177.463 175.154 2.309 19731 66 1 . 1 1 13 13 ALA CA C 13 52.774 52.774 50.647 2.127 19731 67 1 . 1 1 13 13 ALA CB C 13 25.641 25.641 21.474 4.167 19731 68 1 . 1 1 13 13 ALA H H 13 8.627 8.627 8.199 0.428 19731 69 1 . 1 1 14 14 ASN N N 14 116.827 116.827 118.356 -1.529 19731 70 1 . 1 1 14 14 ASN HA H 14 4.404 4.404 4.814 -0.410 19731 71 1 . 1 1 14 14 ASN C C 14 173.431 173.431 174.251 -0.820 19731 72 1 . 1 1 14 14 ASN CA C 14 51.052 51.052 51.322 -0.270 19731 73 1 . 1 1 14 14 ASN CB C 14 40.484 40.484 38.705 1.779 19731 74 1 . 1 1 14 14 ASN H H 14 8.896 8.896 8.204 0.692 19731 75 1 . 1 1 17 17 PRO HA H 17 4.357 4.357 4.221 0.136 19731 76 1 . 1 1 17 17 PRO C C 17 179.073 179.073 177.892 1.181 19731 77 1 . 1 1 17 17 PRO CA C 17 65.172 65.172 64.656 0.516 19731 78 1 . 1 1 17 17 PRO CB C 17 31.874 31.874 32.094 -0.220 19731 79 1 . 1 1 18 18 GLU N N 18 118.514 118.514 116.207 2.307 19731 80 1 . 1 1 18 18 GLU HA H 18 4.054 4.054 4.064 -0.010 19731 81 1 . 1 1 18 18 GLU C C 18 177.807 177.807 177.852 -0.045 19731 82 1 . 1 1 18 18 GLU CA C 18 58.801 58.801 58.530 0.271 19731 83 1 . 1 1 18 18 GLU CB C 18 28.429 28.429 28.879 -0.450 19731 84 1 . 1 1 18 18 GLU H H 18 9.729 9.729 8.613 1.116 19731 85 1 . 1 1 19 19 TYR N N 19 115.421 115.421 116.400 -0.979 19731 86 1 . 1 1 19 19 TYR HA H 19 3.427 3.427 4.737 -1.309 19731 87 1 . 1 1 19 19 TYR C C 19 177.549 177.549 177.179 0.370 19731 88 1 . 1 1 19 19 TYR CA C 19 58.332 58.332 57.021 1.311 19731 89 1 . 1 1 19 19 TYR CB C 19 39.701 39.701 38.342 1.359 19731 90 1 . 1 1 19 19 TYR H H 19 7.268 7.268 7.480 -0.212 19731 91 1 . 1 1 20 20 ALA N N 20 123.858 123.858 122.355 1.503 19731 92 1 . 1 1 20 20 ALA HA H 20 4.429 4.429 4.373 0.056 19731 93 1 . 1 1 20 20 ALA C C 20 178.365 178.365 177.727 0.638 19731 94 1 . 1 1 20 20 ALA CA C 20 55.983 55.983 53.940 2.043 19731 95 1 . 1 1 20 20 ALA CB C 20 19.741 19.741 18.702 1.039 19731 96 1 . 1 1 20 20 ALA H H 20 7.245 7.245 7.599 -0.354 19731 97 1 . 1 1 21 21 LYS N N 21 114.577 114.577 115.164 -0.587 19731 98 1 . 1 1 21 21 LYS HA H 21 4.783 4.783 4.283 0.500 19731 99 1 . 1 1 21 21 LYS C C 21 176.541 176.541 176.536 0.005 19731 100 1 . 1 1 21 21 LYS CA C 21 54.414 54.414 56.692 -2.278 19731 101 1 . 1 1 21 21 LYS CB C 21 32.109 32.109 32.014 0.095 19731 102 1 . 1 1 21 21 LYS H H 21 8.894 8.894 7.811 1.083 19731 103 1 . 1 1 22 22 THR N N 22 111.202 111.202 116.279 -5.076 19731 104 1 . 1 1 22 22 THR HA H 22 4.495 4.495 4.412 0.083 19731 105 1 . 1 1 22 22 THR C C 22 175.277 175.277 174.597 0.680 19731 106 1 . 1 1 22 22 THR CA C 22 61.306 61.306 62.439 -1.133 19731 107 1 . 1 1 22 22 THR CB C 22 72.109 72.109 70.320 1.789 19731 108 1 . 1 1 22 22 THR H H 22 7.927 7.927 7.660 0.267 19731 109 1 . 1 1 23 23 ARG N N 23 119.639 119.639 123.522 -3.883 19731 110 1 . 1 1 23 23 ARG HA H 23 4.508 4.508 4.041 0.467 19731 111 1 . 1 1 23 23 ARG C C 23 177.142 177.142 177.585 -0.443 19731 112 1 . 1 1 23 23 ARG CA C 23 60.993 60.993 58.412 2.581 19731 113 1 . 1 1 23 23 ARG CB C 23 31.874 31.874 30.334 1.540 19731 114 1 . 1 1 23 23 ARG H H 23 8.245 8.245 8.436 -0.191 19731 115 1 . 1 1 24 24 HIS N N 24 115.140 115.140 116.251 -1.111 19731 116 1 . 1 1 24 24 HIS HA H 24 3.928 3.928 4.720 -0.792 19731 117 1 . 1 1 24 24 HIS C C 24 173.109 173.109 174.744 -1.635 19731 118 1 . 1 1 24 24 HIS CA C 24 53.870 53.870 56.159 -2.289 19731 119 1 . 1 1 24 24 HIS CB C 24 29.003 29.003 28.321 0.682 19731 120 1 . 1 1 24 24 HIS H H 24 8.245 8.245 8.354 -0.109 19731 121 1 . 1 1 25 25 ASN N N 25 115.140 115.140 117.739 -2.599 19731 122 1 . 1 1 25 25 ASN HA H 25 4.761 4.761 4.699 0.062 19731 123 1 . 1 1 25 25 ASN C C 25 175.234 175.234 175.567 -0.333 19731 124 1 . 1 1 25 25 ASN CA C 25 52.148 52.148 52.655 -0.507 19731 125 1 . 1 1 25 25 ASN CB C 25 38.214 38.214 38.289 -0.075 19731 126 1 . 1 1 25 25 ASN H H 25 7.661 7.661 7.917 -0.256 19731 127 1 . 1 1 26 26 ALA N N 26 120.764 120.764 123.764 -3.000 19731 128 1 . 1 1 26 26 ALA HA H 26 4.757 4.757 4.017 0.740 19731 129 1 . 1 1 26 26 ALA C C 26 178.428 178.428 178.967 -0.539 19731 130 1 . 1 1 26 26 ALA CA C 26 54.496 54.496 55.302 -0.806 19731 131 1 . 1 1 26 26 ALA CB C 26 18.410 18.410 18.340 0.070 19731 132 1 . 1 1 26 26 ALA H H 26 7.148 7.148 7.611 -0.463 19731 133 1 . 1 1 27 27 GLY N N 27 100.254 100.254 105.086 -4.832 19731 134 1 . 1 1 27 27 GLY C C 27 176.520 176.520 175.737 0.783 19731 135 1 . 1 1 27 27 GLY CA C 27 46.981 46.981 46.665 0.316 19731 136 1 . 1 1 27 27 GLY H H 27 8.957 8.957 7.950 1.007 19731 137 1 . 1 1 28 28 ALA N N 28 123.296 123.296 123.983 -0.687 19731 138 1 . 1 1 28 28 ALA HA H 28 4.190 4.190 4.342 -0.152 19731 139 1 . 1 1 28 28 ALA C C 28 179.373 179.373 178.734 0.639 19731 140 1 . 1 1 28 28 ALA CA C 28 55.592 55.592 53.971 1.621 19731 141 1 . 1 1 28 28 ALA CB C 28 18.332 18.332 18.446 -0.114 19731 142 1 . 1 1 28 28 ALA H H 28 7.090 7.090 7.605 -0.515 19731 143 1 . 1 1 29 29 TRP N N 29 117.952 117.952 120.662 -2.710 19731 144 1 . 1 1 29 29 TRP HA H 29 4.717 4.717 4.357 0.360 19731 145 1 . 1 1 29 29 TRP C C 29 179.973 179.973 178.146 1.827 19731 146 1 . 1 1 29 29 TRP CA C 29 57.862 57.862 60.655 -2.793 19731 147 1 . 1 1 29 29 TRP CB C 29 29.056 29.056 30.315 -1.259 19731 148 1 . 1 1 29 29 TRP H H 29 7.649 7.649 8.276 -0.627 19731 149 1 . 1 1 30 30 VAL N N 30 116.082 116.082 114.853 1.230 19731 150 1 . 1 1 30 30 VAL HA H 30 3.556 3.556 3.817 -0.261 19731 151 1 . 1 1 30 30 VAL C C 30 176.542 176.542 177.431 -0.889 19731 152 1 . 1 1 30 30 VAL CA C 30 66.160 66.160 65.550 0.610 19731 153 1 . 1 1 30 30 VAL CB C 30 32.030 32.030 31.044 0.985 19731 154 1 . 1 1 30 30 VAL H H 30 7.263 7.263 7.576 -0.313 19731 155 1 . 1 1 31 31 VAL N N 31 118.514 118.514 120.653 -2.139 19731 156 1 . 1 1 31 31 VAL HA H 31 3.260 3.260 3.713 -0.453 19731 157 1 . 1 1 31 31 VAL C C 31 177.142 177.142 177.935 -0.793 19731 158 1 . 1 1 31 31 VAL CA C 31 67.647 67.647 66.590 1.057 19731 159 1 . 1 1 31 31 VAL CB C 31 31.639 31.639 31.140 0.499 19731 160 1 . 1 1 31 31 VAL H H 31 6.912 6.912 7.181 -0.269 19731 161 1 . 1 1 32 32 GLU N N 32 117.882 117.882 119.401 -1.519 19731 162 1 . 1 1 32 32 GLU HA H 32 3.791 3.791 3.930 -0.139 19731 163 1 . 1 1 32 32 GLU C C 32 179.715 179.715 178.570 1.145 19731 164 1 . 1 1 32 32 GLU CA C 32 60.054 60.054 59.332 0.722 19731 165 1 . 1 1 32 32 GLU CB C 32 30.073 30.073 29.326 0.747 19731 166 1 . 1 1 32 32 GLU H H 32 9.069 9.069 8.085 0.984 19731 167 1 . 1 1 33 33 GLU N N 33 120.202 120.202 120.678 -0.476 19731 168 1 . 1 1 33 33 GLU HA H 33 4.504 4.504 3.982 0.522 19731 169 1 . 1 1 33 33 GLU C C 33 177.807 177.807 178.805 -0.998 19731 170 1 . 1 1 33 33 GLU CA C 33 58.488 58.488 58.810 -0.322 19731 171 1 . 1 1 33 33 GLU CB C 33 28.977 28.977 29.061 -0.084 19731 172 1 . 1 1 33 33 GLU H H 33 7.967 7.967 7.569 0.398 19731 173 1 . 1 1 34 34 LEU N N 34 121.046 121.046 119.699 1.347 19731 174 1 . 1 1 34 34 LEU HA H 34 4.023 4.023 3.967 0.056 19731 175 1 . 1 1 34 34 LEU C C 34 178.429 178.429 178.846 -0.417 19731 176 1 . 1 1 34 34 LEU CA C 34 58.422 58.422 57.788 0.634 19731 177 1 . 1 1 34 34 LEU CB C 34 42.441 42.441 41.453 0.988 19731 178 1 . 1 1 34 34 LEU H H 34 8.297 8.297 7.618 0.679 19731 179 1 . 1 1 35 35 ALA N N 35 118.233 118.233 121.045 -2.812 19731 180 1 . 1 1 35 35 ALA HA H 35 3.867 3.867 3.991 -0.124 19731 181 1 . 1 1 35 35 ALA C C 35 178.729 178.729 179.317 -0.588 19731 182 1 . 1 1 35 35 ALA CA C 35 55.670 55.670 55.068 0.602 19731 183 1 . 1 1 35 35 ALA CB C 35 17.157 17.157 18.249 -1.092 19731 184 1 . 1 1 35 35 ALA H H 35 8.450 8.450 7.808 0.642 19731 185 1 . 1 1 36 36 ARG N N 36 118.796 118.796 117.992 0.804 19731 186 1 . 1 1 36 36 ARG HA H 36 4.040 4.040 4.101 -0.061 19731 187 1 . 1 1 36 36 ARG C C 36 181.217 181.217 178.226 2.991 19731 188 1 . 1 1 36 36 ARG CA C 36 59.819 59.819 58.633 1.186 19731 189 1 . 1 1 36 36 ARG CB C 36 30.543 30.543 30.347 0.196 19731 190 1 . 1 1 36 36 ARG H H 36 8.063 8.063 7.644 0.419 19731 191 1 . 1 1 37 37 ILE N N 37 119.077 119.077 118.604 0.473 19731 192 1 . 1 1 37 37 ILE HA H 37 3.751 3.751 3.901 -0.150 19731 193 1 . 1 1 37 37 ILE C C 37 177.443 177.443 177.762 -0.319 19731 194 1 . 1 1 37 37 ILE CA C 37 64.359 64.359 63.781 0.578 19731 195 1 . 1 1 37 37 ILE CB C 37 38.214 38.214 37.795 0.419 19731 196 1 . 1 1 37 37 ILE H H 37 8.420 8.420 8.040 0.381 19731 197 1 . 1 1 38 38 HIS N N 38 116.546 116.546 116.353 0.193 19731 198 1 . 1 1 38 38 HIS HA H 38 4.399 4.399 4.566 -0.168 19731 199 1 . 1 1 38 38 HIS C C 38 173.452 173.452 174.845 -1.393 19731 200 1 . 1 1 38 38 HIS CA C 38 57.236 57.236 56.496 0.740 19731 201 1 . 1 1 38 38 HIS CB C 38 30.699 30.699 31.480 -0.782 19731 202 1 . 1 1 38 38 HIS H H 38 7.635 7.635 7.842 -0.207 19731 203 1 . 1 1 39 39 ASN N N 39 117.108 117.108 117.565 -0.457 19731 204 1 . 1 1 39 39 ASN HA H 39 4.352 4.352 4.444 -0.092 19731 205 1 . 1 1 39 39 ASN C C 39 174.310 174.310 173.936 0.374 19731 206 1 . 1 1 39 39 ASN CA C 39 54.653 54.653 53.970 0.683 19731 207 1 . 1 1 39 39 ASN CB C 39 37.353 37.353 37.042 0.311 19731 208 1 . 1 1 39 39 ASN H H 39 7.942 7.942 7.913 0.029 19731 209 1 . 1 1 40 40 VAL N N 40 119.921 119.921 118.105 1.816 19731 210 1 . 1 1 40 40 VAL HA H 40 4.216 4.216 4.332 -0.116 19731 211 1 . 1 1 40 40 VAL C C 40 175.361 175.361 175.764 -0.403 19731 212 1 . 1 1 40 40 VAL CA C 40 61.776 61.776 61.304 0.472 19731 213 1 . 1 1 40 40 VAL CB C 40 34.222 34.222 33.678 0.544 19731 214 1 . 1 1 40 40 VAL H H 40 8.578 8.578 7.649 0.929 19731 215 1 . 1 1 41 41 THR N N 41 123.878 123.878 122.112 1.766 19731 216 1 . 1 1 41 41 THR HA H 41 4.231 4.231 4.329 -0.098 19731 217 1 . 1 1 41 41 THR C C 41 174.033 174.033 174.117 -0.084 19731 218 1 . 1 1 41 41 THR CA C 41 61.776 61.776 61.929 -0.153 19731 219 1 . 1 1 41 41 THR CB C 41 69.525 69.525 68.618 0.907 19731 220 1 . 1 1 41 41 THR H H 41 8.617 8.617 8.457 0.160 19731 221 1 . 1 1 42 42 LEU N N 42 128.639 128.639 128.710 -0.070 19731 222 1 . 1 1 42 42 LEU HA H 42 4.337 4.337 4.424 -0.087 19731 223 1 . 1 1 42 42 LEU C C 42 175.919 175.919 176.677 -0.758 19731 224 1 . 1 1 42 42 LEU CA C 42 54.809 54.809 54.753 0.055 19731 225 1 . 1 1 42 42 LEU CB C 42 41.893 41.893 40.862 1.030 19731 226 1 . 1 1 42 42 LEU H H 42 8.783 8.783 8.538 0.245 19731 227 1 . 1 1 43 43 LYS N N 43 122.452 122.452 125.411 -2.959 19731 228 1 . 1 1 43 43 LYS HA H 43 4.589 4.589 4.599 -0.010 19731 229 1 . 1 1 43 43 LYS C C 43 175.619 175.619 175.333 0.286 19731 230 1 . 1 1 43 43 LYS CA C 43 54.496 54.496 54.793 -0.297 19731 231 1 . 1 1 43 43 LYS CB C 43 35.944 35.944 34.096 1.848 19731 232 1 . 1 1 43 43 LYS H H 43 8.738 8.738 8.844 -0.106 19731 233 1 . 1 1 44 44 ASN N N 44 123.014 123.014 122.961 0.053 19731 234 1 . 1 1 44 44 ASN HA H 44 4.580 4.580 4.960 -0.380 19731 235 1 . 1 1 44 44 ASN C C 44 174.718 174.718 175.119 -0.401 19731 236 1 . 1 1 44 44 ASN CA C 44 54.484 54.484 52.812 1.672 19731 237 1 . 1 1 44 44 ASN CB C 44 38.840 38.840 38.894 -0.054 19731 238 1 . 1 1 44 44 ASN H H 44 8.906 8.906 8.825 0.081 19731 239 1 . 1 1 45 45 GLU N N 45 128.921 128.921 123.514 5.406 19731 240 1 . 1 1 45 45 GLU HA H 45 4.374 4.374 4.792 -0.418 19731 241 1 . 1 1 45 45 GLU C C 45 173.731 173.731 175.175 -1.444 19731 242 1 . 1 1 45 45 GLU CA C 45 53.244 53.244 52.877 0.367 19731 243 1 . 1 1 45 45 GLU CB C 45 31.639 31.639 30.692 0.947 19731 244 1 . 1 1 45 45 GLU H H 45 8.675 8.675 8.575 0.100 19731 245 1 . 1 1 46 46 PRO HA H 46 3.988 3.988 4.318 -0.330 19731 246 1 . 1 1 46 46 PRO C C 46 175.298 175.298 176.920 -1.622 19731 247 1 . 1 1 46 46 PRO CA C 46 64.985 64.985 64.359 0.626 19731 248 1 . 1 1 46 46 PRO CB C 46 32.030 32.030 31.844 0.186 19731 249 1 . 1 1 47 47 LYS N N 47 115.793 115.793 116.381 -0.588 19731 250 1 . 1 1 47 47 LYS HA H 47 3.518 3.518 3.921 -0.403 19731 251 1 . 1 1 47 47 LYS C C 47 174.998 174.998 177.576 -2.578 19731 252 1 . 1 1 47 47 LYS CA C 47 57.862 57.862 58.147 -0.285 19731 253 1 . 1 1 47 47 LYS CB C 47 31.561 31.561 32.087 -0.526 19731 254 1 . 1 1 47 47 LYS H H 47 8.239 8.239 8.048 0.191 19731 255 1 . 1 1 48 48 PHE N N 48 114.577 114.577 115.172 -0.595 19731 256 1 . 1 1 48 48 PHE HA H 48 4.890 4.890 4.690 0.200 19731 257 1 . 1 1 48 48 PHE C C 48 172.810 172.810 175.830 -3.020 19731 258 1 . 1 1 48 48 PHE CA C 48 53.870 53.870 56.309 -2.439 19731 259 1 . 1 1 48 48 PHE CB C 48 39.701 39.701 39.794 -0.093 19731 260 1 . 1 1 48 48 PHE H H 48 7.398 7.398 7.218 0.180 19731 261 1 . 1 1 49 49 PHE N N 49 110.358 110.358 117.920 -7.562 19731 262 1 . 1 1 49 49 PHE HA H 49 3.852 3.852 4.150 -0.298 19731 263 1 . 1 1 49 49 PHE C C 49 175.298 175.298 174.037 1.260 19731 264 1 . 1 1 49 49 PHE CA C 49 58.019 58.019 58.736 -0.717 19731 265 1 . 1 1 49 49 PHE CB C 49 36.431 36.431 37.541 -1.110 19731 266 1 . 1 1 49 49 PHE H H 49 6.923 6.923 8.149 -1.226 19731 267 1 . 1 1 50 50 GLY N N 50 136.915 136.915 105.645 31.270 19731 268 1 . 1 1 50 50 GLY C C 50 170.643 170.643 171.726 -1.083 19731 269 1 . 1 1 50 50 GLY CA C 50 47.138 47.138 44.723 2.415 19731 270 1 . 1 1 50 50 GLY H H 50 6.836 6.836 7.648 -0.812 19731 271 1 . 1 1 51 51 LEU N N 51 119.282 119.282 121.406 -2.124 19731 272 1 . 1 1 51 51 LEU HA H 51 4.837 4.837 4.976 -0.139 19731 273 1 . 1 1 51 51 LEU C C 51 177.164 177.164 175.828 1.336 19731 274 1 . 1 1 51 51 LEU CA C 51 53.087 53.087 54.139 -1.052 19731 275 1 . 1 1 51 51 LEU CB C 51 44.163 44.163 43.717 0.446 19731 276 1 . 1 1 51 51 LEU H H 51 8.692 8.692 8.555 0.137 19731 277 1 . 1 1 52 52 THR N N 52 112.608 112.608 119.920 -7.312 19731 278 1 . 1 1 52 52 THR HA H 52 5.529 5.529 5.546 -0.017 19731 279 1 . 1 1 52 52 THR C C 52 173.732 173.732 173.540 0.192 19731 280 1 . 1 1 52 52 THR CA C 52 59.036 59.036 59.833 -0.797 19731 281 1 . 1 1 52 52 THR CB C 52 72.578 72.578 71.656 0.922 19731 282 1 . 1 1 52 52 THR H H 52 9.230 9.230 9.196 0.034 19731 283 1 . 1 1 53 53 GLY N N 53 105.858 105.858 110.305 -4.447 19731 284 1 . 1 1 53 53 GLY C C 53 171.545 171.545 171.475 0.070 19731 285 1 . 1 1 53 53 GLY CA C 53 45.024 45.024 44.719 0.305 19731 286 1 . 1 1 53 53 GLY H H 53 7.881 7.881 8.989 -1.108 19731 287 1 . 1 1 54 54 ARG N N 54 122.128 122.128 123.997 -1.869 19731 288 1 . 1 1 54 54 ARG HA H 54 4.861 4.861 4.902 -0.041 19731 289 1 . 1 1 54 54 ARG C C 54 172.767 172.767 174.568 -1.801 19731 290 1 . 1 1 54 54 ARG CA C 54 55.749 55.749 55.337 0.412 19731 291 1 . 1 1 54 54 ARG CB C 54 32.813 32.813 31.440 1.373 19731 292 1 . 1 1 54 54 ARG H H 54 8.627 8.627 8.573 0.054 19731 293 1 . 1 1 55 55 LEU N N 55 125.264 125.264 125.349 -0.085 19731 294 1 . 1 1 55 55 LEU HA H 55 4.584 4.584 4.580 0.004 19731 295 1 . 1 1 55 55 LEU C C 55 174.011 174.011 175.023 -1.012 19731 296 1 . 1 1 55 55 LEU CA C 55 54.105 54.105 53.276 0.829 19731 297 1 . 1 1 55 55 LEU CB C 55 44.242 44.242 43.731 0.511 19731 298 1 . 1 1 55 55 LEU H H 55 8.968 8.968 9.101 -0.133 19731 299 1 . 1 1 56 56 LEU N N 56 123.577 123.577 127.289 -3.712 19731 300 1 . 1 1 56 56 LEU HA H 56 5.020 5.020 4.728 0.292 19731 301 1 . 1 1 56 56 LEU C C 56 176.263 176.263 176.095 0.168 19731 302 1 . 1 1 56 56 LEU CA C 56 53.688 53.688 54.459 -0.771 19731 303 1 . 1 1 56 56 LEU CB C 56 43.694 43.694 42.561 1.133 19731 304 1 . 1 1 56 56 LEU H H 56 8.405 8.405 8.440 -0.035 19731 305 1 . 1 1 57 57 ILE N N 57 123.748 123.748 122.287 1.461 19731 306 1 . 1 1 57 57 ILE HA H 57 4.210 4.210 4.466 -0.256 19731 307 1 . 1 1 57 57 ILE C C 57 175.655 175.655 175.545 0.110 19731 308 1 . 1 1 57 57 ILE CA C 57 60.132 60.132 59.601 0.531 19731 309 1 . 1 1 57 57 ILE CB C 57 40.484 40.484 40.255 0.229 19731 310 1 . 1 1 57 57 ILE H H 57 8.617 8.617 8.704 -0.087 19731 311 1 . 1 1 58 58 ASN N N 58 127.486 127.486 124.755 2.731 19731 312 1 . 1 1 58 58 ASN HA H 58 4.322 4.322 4.302 0.020 19731 313 1 . 1 1 58 58 ASN C C 58 174.976 174.976 174.897 0.079 19731 314 1 . 1 1 58 58 ASN CA C 58 54.766 54.766 55.772 -1.006 19731 315 1 . 1 1 58 58 ASN CB C 58 37.745 37.745 37.697 0.048 19731 316 1 . 1 1 58 58 ASN H H 58 9.489 9.489 9.099 0.390 19731 317 1 . 1 1 59 59 SER N N 59 106.702 106.702 114.433 -7.731 19731 318 1 . 1 1 59 59 SER HA H 59 3.833 3.833 4.547 -0.714 19731 319 1 . 1 1 59 59 SER C C 59 172.510 172.510 173.050 -0.540 19731 320 1 . 1 1 59 59 SER CA C 59 60.445 60.445 58.479 1.966 19731 321 1 . 1 1 59 59 SER CB C 59 62.246 62.246 65.311 -3.065 19731 322 1 . 1 1 59 59 SER H H 59 8.664 8.664 8.348 0.316 19731 323 1 . 1 1 60 60 GLN N N 60 120.764 120.764 121.898 -1.134 19731 324 1 . 1 1 60 60 GLN HA H 60 4.490 4.490 4.560 -0.070 19731 325 1 . 1 1 60 60 GLN C C 60 174.310 174.310 173.781 0.529 19731 326 1 . 1 1 60 60 GLN CA C 60 54.183 54.183 54.357 -0.174 19731 327 1 . 1 1 60 60 GLN CB C 60 31.169 31.169 32.087 -0.918 19731 328 1 . 1 1 60 60 GLN H H 60 7.925 7.925 7.814 0.111 19731 329 1 . 1 1 61 61 GLU N N 61 122.452 122.452 124.600 -2.148 19731 330 1 . 1 1 61 61 GLU HA H 61 4.626 4.626 4.424 0.202 19731 331 1 . 1 1 61 61 GLU C C 61 174.932 174.932 175.288 -0.356 19731 332 1 . 1 1 61 61 GLU CA C 61 55.827 55.827 55.673 0.154 19731 333 1 . 1 1 61 61 GLU CB C 61 31.639 31.639 29.474 2.165 19731 334 1 . 1 1 61 61 GLU H H 61 8.613 8.613 8.658 -0.045 19731 335 1 . 1 1 62 62 LEU N N 62 129.483 129.483 126.677 2.806 19731 336 1 . 1 1 62 62 LEU HA H 62 4.483 4.483 4.726 -0.243 19731 337 1 . 1 1 62 62 LEU C C 62 175.276 175.276 175.705 -0.429 19731 338 1 . 1 1 62 62 LEU CA C 62 53.713 53.713 53.754 -0.041 19731 339 1 . 1 1 62 62 LEU CB C 62 45.416 45.416 43.964 1.452 19731 340 1 . 1 1 62 62 LEU H H 62 9.131 9.131 8.879 0.252 19731 341 1 . 1 1 63 63 ARG N N 63 125.546 125.546 125.463 0.083 19731 342 1 . 1 1 63 63 ARG HA H 63 4.884 4.884 5.120 -0.236 19731 343 1 . 1 1 63 63 ARG C C 63 174.998 174.998 174.705 0.293 19731 344 1 . 1 1 63 63 ARG CA C 63 55.983 55.983 54.925 1.058 19731 345 1 . 1 1 63 63 ARG CB C 63 31.013 31.013 32.287 -1.273 19731 346 1 . 1 1 63 63 ARG H H 63 7.802 7.802 8.886 -1.084 19731 347 1 . 1 1 64 64 VAL N N 64 112.608 112.608 122.075 -9.467 19731 348 1 . 1 1 64 64 VAL HA H 64 5.840 5.840 5.381 0.459 19731 349 1 . 1 1 64 64 VAL C C 64 174.353 174.353 173.552 0.801 19731 350 1 . 1 1 64 64 VAL CA C 64 57.784 57.784 59.392 -1.608 19731 351 1 . 1 1 64 64 VAL CB C 64 34.927 34.927 35.867 -0.940 19731 352 1 . 1 1 64 64 VAL H H 64 8.199 8.199 8.881 -0.682 19731 353 1 . 1 1 65 65 LEU N N 65 122.279 122.279 129.330 -7.051 19731 354 1 . 1 1 65 65 LEU HA H 65 5.526 5.526 5.521 0.005 19731 355 1 . 1 1 65 65 LEU C C 65 174.353 174.353 174.295 0.058 19731 356 1 . 1 1 65 65 LEU CA C 65 53.557 53.557 53.625 -0.068 19731 357 1 . 1 1 65 65 LEU CB C 65 47.686 47.686 46.371 1.316 19731 358 1 . 1 1 65 65 LEU H H 65 8.163 8.163 8.569 -0.406 19731 359 1 . 1 1 66 66 ILE N N 66 126.952 126.952 125.753 1.199 19731 360 1 . 1 1 66 66 ILE HA H 66 5.122 5.122 5.212 -0.090 19731 361 1 . 1 1 66 66 ILE C C 66 173.817 173.817 173.317 0.500 19731 362 1 . 1 1 66 66 ILE CA C 66 58.567 58.567 56.999 1.568 19731 363 1 . 1 1 66 66 ILE CB C 66 41.815 41.815 42.031 -0.216 19731 364 1 . 1 1 66 66 ILE H H 66 9.131 9.131 9.037 0.094 19731 365 1 . 1 1 67 67 PRO HA H 67 4.508 4.508 4.766 -0.258 19731 366 1 . 1 1 67 67 PRO C C 67 177.786 177.786 176.988 0.798 19731 367 1 . 1 1 67 67 PRO CA C 67 63.203 63.203 62.635 0.569 19731 368 1 . 1 1 67 67 PRO CB C 67 33.109 33.109 32.282 0.827 19731 369 1 . 1 1 68 68 THR N N 68 115.421 115.421 114.998 0.423 19731 370 1 . 1 1 68 68 THR HA H 68 4.370 4.370 4.163 0.206 19731 371 1 . 1 1 68 68 THR C C 68 174.054 174.054 175.536 -1.482 19731 372 1 . 1 1 68 68 THR CA C 68 60.445 60.445 64.695 -4.250 19731 373 1 . 1 1 68 68 THR CB C 68 67.177 67.177 68.784 -1.607 19731 374 1 . 1 1 68 68 THR H H 68 9.645 9.645 8.415 1.230 19731 375 1 . 1 1 69 69 THR N N 69 110.954 110.954 119.309 -8.355 19731 376 1 . 1 1 69 69 THR HA H 69 4.065 4.065 4.524 -0.459 19731 377 1 . 1 1 69 69 THR C C 69 177.184 177.184 174.116 3.068 19731 378 1 . 1 1 69 69 THR CA C 69 62.011 62.011 61.942 0.069 19731 379 1 . 1 1 69 69 THR CB C 69 71.013 71.013 69.095 1.918 19731 380 1 . 1 1 69 69 THR H H 69 7.063 7.063 8.024 -0.961 19731 381 1 . 1 1 70 70 PHE N N 70 111.483 111.483 123.778 -12.294 19731 382 1 . 1 1 70 70 PHE HA H 70 4.256 4.256 4.486 -0.230 19731 383 1 . 1 1 70 70 PHE C C 70 179.029 179.029 175.429 3.600 19731 384 1 . 1 1 70 70 PHE CA C 70 62.559 62.559 58.901 3.657 19731 385 1 . 1 1 70 70 PHE CB C 70 38.371 38.371 38.251 0.120 19731 386 1 . 1 1 70 70 PHE H H 70 8.033 8.033 8.623 -0.590 19731 387 1 . 1 1 71 71 MET N N 71 121.809 121.809 118.936 2.873 19731 388 1 . 1 1 71 71 MET HA H 71 4.055 4.055 4.252 -0.197 19731 389 1 . 1 1 71 71 MET C C 71 179.372 179.372 177.417 1.955 19731 390 1 . 1 1 71 71 MET CA C 71 58.488 58.488 57.490 0.998 19731 391 1 . 1 1 71 71 MET CB C 71 31.036 31.036 32.234 -1.198 19731 392 1 . 1 1 71 71 MET H H 71 8.671 8.671 7.722 0.949 19731 393 1 . 1 1 72 72 ASN N N 72 115.648 115.648 116.778 -1.130 19731 394 1 . 1 1 72 72 ASN HA H 72 4.157 4.157 4.617 -0.460 19731 395 1 . 1 1 72 72 ASN C C 72 173.454 173.454 177.052 -3.598 19731 396 1 . 1 1 72 72 ASN CA C 72 54.809 54.809 55.336 -0.528 19731 397 1 . 1 1 72 72 ASN CB C 72 36.805 36.805 38.924 -2.119 19731 398 1 . 1 1 72 72 ASN H H 72 8.817 8.817 8.095 0.722 19731 399 1 . 1 1 73 73 LEU N N 73 119.077 119.077 119.894 -0.817 19731 400 1 . 1 1 73 73 LEU HA H 73 4.973 4.973 4.355 0.618 19731 401 1 . 1 1 73 73 LEU C C 73 177.485 177.485 177.997 -0.512 19731 402 1 . 1 1 73 73 LEU CA C 73 53.870 53.870 55.595 -1.725 19731 403 1 . 1 1 73 73 LEU CB C 73 43.537 43.537 41.300 2.237 19731 404 1 . 1 1 73 73 LEU H H 73 7.362 7.362 7.959 -0.597 19731 405 1 . 1 1 74 74 SER N N 74 114.067 114.067 117.091 -3.024 19731 406 1 . 1 1 74 74 SER HA H 74 4.084 4.084 4.229 -0.145 19731 407 1 . 1 1 74 74 SER C C 74 175.640 175.640 176.696 -1.056 19731 408 1 . 1 1 74 74 SER CA C 74 63.498 63.498 61.959 1.539 19731 409 1 . 1 1 74 74 SER CB C 74 66.081 66.081 62.650 3.431 19731 410 1 . 1 1 74 74 SER H H 74 7.499 7.499 7.865 -0.366 19731 411 1 . 1 1 75 75 GLY N N 75 107.827 107.827 109.046 -1.219 19731 412 1 . 1 1 75 75 GLY C C 75 174.954 174.954 175.926 -0.972 19731 413 1 . 1 1 75 75 GLY CA C 75 47.999 47.999 46.536 1.463 19731 414 1 . 1 1 75 75 GLY H H 75 10.017 10.017 8.404 1.613 19731 415 1 . 1 1 76 76 LYS N N 76 120.250 120.250 121.984 -1.734 19731 416 1 . 1 1 76 76 LYS HA H 76 3.973 3.973 3.989 -0.016 19731 417 1 . 1 1 76 76 LYS C C 76 179.051 179.051 178.597 0.454 19731 418 1 . 1 1 76 76 LYS CA C 76 59.271 59.271 59.366 -0.095 19731 419 1 . 1 1 76 76 LYS CB C 76 32.813 32.813 32.116 0.698 19731 420 1 . 1 1 76 76 LYS H H 76 7.975 7.975 7.896 0.079 19731 421 1 . 1 1 77 77 ALA N N 77 121.046 121.046 122.741 -1.695 19731 422 1 . 1 1 77 77 ALA HA H 77 4.438 4.438 4.398 0.040 19731 423 1 . 1 1 77 77 ALA C C 77 177.463 177.463 179.688 -2.225 19731 424 1 . 1 1 77 77 ALA CA C 77 54.966 54.966 55.056 -0.090 19731 425 1 . 1 1 77 77 ALA CB C 77 20.758 20.758 18.572 2.186 19731 426 1 . 1 1 77 77 ALA H H 77 6.824 6.824 7.777 -0.953 19731 427 1 . 1 1 78 78 ILE N N 78 115.422 115.422 118.558 -3.136 19731 428 1 . 1 1 78 78 ILE HA H 78 3.122 3.122 3.615 -0.493 19731 429 1 . 1 1 78 78 ILE C C 78 177.163 177.163 177.716 -0.553 19731 430 1 . 1 1 78 78 ILE CA C 78 65.846 65.846 64.733 1.113 19731 431 1 . 1 1 78 78 ILE CB C 78 39.154 39.154 37.594 1.560 19731 432 1 . 1 1 78 78 ILE H H 78 7.124 7.124 7.663 -0.539 19731 433 1 . 1 1 79 79 ALA N N 79 117.952 117.952 123.139 -5.187 19731 434 1 . 1 1 79 79 ALA HA H 79 3.936 3.936 3.865 0.071 19731 435 1 . 1 1 79 79 ALA C C 79 179.329 179.329 179.186 0.143 19731 436 1 . 1 1 79 79 ALA CA C 79 55.044 55.044 55.292 -0.248 19731 437 1 . 1 1 79 79 ALA CB C 79 18.410 18.410 17.992 0.418 19731 438 1 . 1 1 79 79 ALA H H 79 8.644 8.644 8.388 0.256 19731 439 1 . 1 1 80 80 ALA N N 80 118.796 118.796 120.925 -2.129 19731 440 1 . 1 1 80 80 ALA HA H 80 4.307 4.307 4.004 0.303 19731 441 1 . 1 1 80 80 ALA C C 80 180.616 180.616 179.203 1.413 19731 442 1 . 1 1 80 80 ALA CA C 80 55.592 55.592 54.704 0.888 19731 443 1 . 1 1 80 80 ALA CB C 80 18.723 18.723 18.484 0.239 19731 444 1 . 1 1 80 80 ALA H H 80 7.442 7.442 7.740 -0.298 19731 445 1 . 1 1 81 81 LEU N N 81 119.878 119.878 120.348 -0.470 19731 446 1 . 1 1 81 81 LEU HA H 81 3.604 3.604 3.752 -0.148 19731 447 1 . 1 1 81 81 LEU C C 81 178.750 178.750 178.364 0.386 19731 448 1 . 1 1 81 81 LEU CA C 81 59.271 59.271 57.625 1.646 19731 449 1 . 1 1 81 81 LEU CB C 81 42.598 42.598 41.347 1.251 19731 450 1 . 1 1 81 81 LEU H H 81 7.953 7.953 7.702 0.251 19731 451 1 . 1 1 82 82 ALA N N 82 120.764 120.764 119.492 1.272 19731 452 1 . 1 1 82 82 ALA HA H 82 3.883 3.883 3.582 0.301 19731 453 1 . 1 1 82 82 ALA C C 82 180.273 180.273 179.304 0.969 19731 454 1 . 1 1 82 82 ALA CA C 82 56.140 56.140 54.891 1.249 19731 455 1 . 1 1 82 82 ALA CB C 82 17.236 17.236 18.033 -0.797 19731 456 1 . 1 1 82 82 ALA H H 82 8.906 8.906 8.257 0.649 19731 457 1 . 1 1 83 83 ASN N N 83 113.733 113.733 117.946 -4.213 19731 458 1 . 1 1 83 83 ASN HA H 83 4.526 4.526 4.478 0.048 19731 459 1 . 1 1 83 83 ASN C C 83 178.085 178.085 177.663 0.422 19731 460 1 . 1 1 83 83 ASN CA C 83 55.827 55.827 56.047 -0.220 19731 461 1 . 1 1 83 83 ASN CB C 83 38.371 38.371 38.673 -0.302 19731 462 1 . 1 1 83 83 ASN H H 83 8.644 8.644 7.732 0.912 19731 463 1 . 1 1 84 84 PHE N N 84 121.327 121.327 118.312 3.015 19731 464 1 . 1 1 84 84 PHE HA H 84 4.061 4.061 4.425 -0.364 19731 465 1 . 1 1 84 84 PHE C C 84 177.164 177.164 177.292 -0.128 19731 466 1 . 1 1 84 84 PHE CA C 84 62.089 62.089 59.948 2.141 19731 467 1 . 1 1 84 84 PHE CB C 84 40.406 40.406 38.578 1.828 19731 468 1 . 1 1 84 84 PHE H H 84 7.621 7.621 7.981 -0.360 19731 469 1 . 1 1 85 85 TYR N N 85 112.890 112.890 117.343 -4.453 19731 470 1 . 1 1 85 85 TYR HA H 85 4.507 4.507 4.212 0.295 19731 471 1 . 1 1 85 85 TYR C C 85 173.732 173.732 175.402 -1.670 19731 472 1 . 1 1 85 85 TYR CA C 85 59.193 59.193 58.659 0.534 19731 473 1 . 1 1 85 85 TYR CB C 85 38.919 38.919 37.970 0.949 19731 474 1 . 1 1 85 85 TYR H H 85 7.578 7.578 7.251 0.327 19731 475 1 . 1 1 86 86 GLN N N 86 117.671 117.671 114.255 3.416 19731 476 1 . 1 1 86 86 GLN HA H 86 3.943 3.943 3.943 -0.000 19731 477 1 . 1 1 86 86 GLN C C 86 174.675 174.675 174.748 -0.074 19731 478 1 . 1 1 86 86 GLN CA C 86 57.236 57.236 56.778 0.458 19731 479 1 . 1 1 86 86 GLN CB C 86 25.846 25.846 26.382 -0.536 19731 480 1 . 1 1 86 86 GLN H H 86 7.691 7.691 7.683 0.008 19731 481 1 . 1 1 87 87 ILE N N 87 122.171 122.171 118.431 3.740 19731 482 1 . 1 1 87 87 ILE HA H 87 3.997 3.997 4.086 -0.089 19731 483 1 . 1 1 87 87 ILE C C 87 175.597 175.597 176.082 -0.485 19731 484 1 . 1 1 87 87 ILE CA C 87 61.619 61.619 59.754 1.865 19731 485 1 . 1 1 87 87 ILE CB C 87 40.484 40.484 38.087 2.397 19731 486 1 . 1 1 87 87 ILE H H 87 8.786 8.786 7.487 1.299 19731 487 1 . 1 1 88 88 LYS N N 88 128.639 128.639 126.489 2.150 19731 488 1 . 1 1 88 88 LYS HA H 88 3.921 3.921 4.453 -0.532 19731 489 1 . 1 1 88 88 LYS CA C 88 54.887 54.887 54.979 -0.092 19731 490 1 . 1 1 88 88 LYS CB C 88 31.639 31.639 31.900 -0.261 19731 491 1 . 1 1 88 88 LYS H H 88 8.957 8.957 8.547 0.410 19731 492 1 . 1 1 89 89 PRO HA H 89 4.020 4.020 4.213 -0.193 19731 493 1 . 1 1 89 89 PRO C C 89 176.542 176.542 178.064 -1.522 19731 494 1 . 1 1 89 89 PRO CA C 89 66.297 66.297 65.563 0.734 19731 495 1 . 1 1 89 89 PRO CB C 89 31.703 31.703 31.754 -0.051 19731 496 1 . 1 1 90 90 GLU N N 90 111.202 111.202 116.234 -5.032 19731 497 1 . 1 1 90 90 GLU HA H 90 4.308 4.308 4.274 0.034 19731 498 1 . 1 1 90 90 GLU C C 90 176.241 176.241 177.121 -0.880 19731 499 1 . 1 1 90 90 GLU CA C 90 59.036 59.036 58.356 0.680 19731 500 1 . 1 1 90 90 GLU CB C 90 28.508 28.508 28.697 -0.189 19731 501 1 . 1 1 90 90 GLU H H 90 9.328 9.328 8.645 0.683 19731 502 1 . 1 1 91 91 GLU N N 91 116.265 116.265 117.111 -0.846 19731 503 1 . 1 1 91 91 GLU HA H 91 4.932 4.932 4.479 0.453 19731 504 1 . 1 1 91 91 GLU C C 91 175.254 175.254 175.260 -0.006 19731 505 1 . 1 1 91 91 GLU CA C 91 54.653 54.653 55.586 -0.933 19731 506 1 . 1 1 91 91 GLU CB C 91 30.856 30.856 30.444 0.412 19731 507 1 . 1 1 91 91 GLU H H 91 8.101 8.101 8.048 0.053 19731 508 1 . 1 1 92 92 ILE N N 92 122.683 122.683 121.496 1.187 19731 509 1 . 1 1 92 92 ILE HA H 92 4.234 4.234 4.535 -0.301 19731 510 1 . 1 1 92 92 ILE C C 92 173.710 173.710 174.648 -0.938 19731 511 1 . 1 1 92 92 ILE CA C 92 60.837 60.837 59.522 1.315 19731 512 1 . 1 1 92 92 ILE CB C 92 40.171 40.171 37.832 2.339 19731 513 1 . 1 1 92 92 ILE H H 92 8.042 8.042 7.559 0.483 19731 514 1 . 1 1 93 93 MET N N 93 125.264 125.264 127.083 -1.819 19731 515 1 . 1 1 93 93 MET HA H 93 5.215 5.215 5.471 -0.257 19731 516 1 . 1 1 93 93 MET C C 93 173.454 173.454 174.665 -1.211 19731 517 1 . 1 1 93 93 MET CA C 93 53.322 53.322 54.135 -0.813 19731 518 1 . 1 1 93 93 MET CB C 93 36.570 36.570 36.325 0.245 19731 519 1 . 1 1 93 93 MET H H 93 9.187 9.187 8.517 0.670 19731 520 1 . 1 1 94 94 VAL N N 94 128.639 128.639 123.168 5.471 19731 521 1 . 1 1 94 94 VAL HA H 94 4.598 4.598 5.067 -0.469 19731 522 1 . 1 1 94 94 VAL C C 94 174.675 174.675 173.958 0.717 19731 523 1 . 1 1 94 94 VAL CA C 94 61.306 61.306 60.370 0.936 19731 524 1 . 1 1 94 94 VAL CB C 94 33.518 33.518 34.905 -1.387 19731 525 1 . 1 1 94 94 VAL H H 94 9.406 9.406 8.641 0.765 19731 526 1 . 1 1 95 95 ALA N N 95 132.577 132.577 129.754 2.823 19731 527 1 . 1 1 95 95 ALA HA H 95 5.735 5.735 5.612 0.123 19731 528 1 . 1 1 95 95 ALA C C 95 175.640 175.640 175.734 -0.094 19731 529 1 . 1 1 95 95 ALA CA C 95 50.191 50.191 50.072 0.119 19731 530 1 . 1 1 95 95 ALA CB C 95 20.210 20.210 21.472 -1.262 19731 531 1 . 1 1 95 95 ALA H H 95 10.008 10.008 9.236 0.772 19731 532 1 . 1 1 96 96 HIS N N 96 119.077 119.077 119.857 -0.780 19731 533 1 . 1 1 96 96 HIS HA H 96 5.347 5.347 5.068 0.279 19731 534 1 . 1 1 96 96 HIS C C 96 171.543 171.543 173.487 -1.944 19731 535 1 . 1 1 96 96 HIS CA C 96 53.870 53.870 54.609 -0.739 19731 536 1 . 1 1 96 96 HIS CB C 96 32.578 32.578 32.925 -0.347 19731 537 1 . 1 1 96 96 HIS H H 96 8.972 8.972 8.365 0.607 19731 538 1 . 1 1 97 97 ASP N N 97 115.983 115.983 120.340 -4.357 19731 539 1 . 1 1 97 97 ASP HA H 97 4.695 4.695 4.506 0.189 19731 540 1 . 1 1 97 97 ASP C C 97 178.064 178.064 175.272 2.792 19731 541 1 . 1 1 97 97 ASP CA C 97 53.635 53.635 54.418 -0.783 19731 542 1 . 1 1 97 97 ASP CB C 97 40.249 40.249 40.893 -0.644 19731 543 1 . 1 1 97 97 ASP H H 97 10.517 10.517 8.430 2.087 19731 544 1 . 1 1 98 98 GLU N N 98 127.233 127.233 123.645 3.588 19731 545 1 . 1 1 98 98 GLU HA H 98 5.155 5.155 4.635 0.520 19731 546 1 . 1 1 98 98 GLU C C 98 174.932 174.932 176.007 -1.075 19731 547 1 . 1 1 98 98 GLU CA C 98 53.635 53.635 55.036 -1.401 19731 548 1 . 1 1 98 98 GLU CB C 98 33.439 33.439 33.002 0.437 19731 549 1 . 1 1 98 98 GLU H H 98 9.194 9.194 8.146 1.048 19731 550 1 . 1 1 99 99 LEU N N 99 132.858 132.858 122.532 10.326 19731 551 1 . 1 1 99 99 LEU HA H 99 4.626 4.626 4.598 0.028 19731 552 1 . 1 1 99 99 LEU C C 99 178.128 178.128 177.118 1.010 19731 553 1 . 1 1 99 99 LEU CA C 99 57.001 57.001 55.502 1.499 19731 554 1 . 1 1 99 99 LEU CB C 99 44.555 44.555 41.927 2.628 19731 555 1 . 1 1 99 99 LEU H H 99 8.692 8.692 8.726 -0.034 19731 556 1 . 1 1 100 100 ASP N N 100 113.733 113.733 119.592 -5.859 19731 557 1 . 1 1 100 100 ASP HA H 100 4.611 4.611 4.536 0.075 19731 558 1 . 1 1 100 100 ASP C C 100 175.276 175.276 176.032 -0.756 19731 559 1 . 1 1 100 100 ASP CA C 100 54.966 54.966 55.643 -0.676 19731 560 1 . 1 1 100 100 ASP CB C 100 40.876 40.876 41.214 -0.338 19731 561 1 . 1 1 100 100 ASP H H 100 9.191 9.191 8.331 0.860 19731 562 1 . 1 1 101 101 LEU N N 101 119.932 119.932 120.671 -0.739 19731 563 1 . 1 1 101 101 LEU HA H 101 4.801 4.801 4.858 -0.057 19731 564 1 . 1 1 101 101 LEU C C 101 172.522 172.522 174.403 -1.881 19731 565 1 . 1 1 101 101 LEU CA C 101 51.365 51.365 51.652 -0.286 19731 566 1 . 1 1 101 101 LEU CB C 101 45.338 45.338 43.938 1.400 19731 567 1 . 1 1 101 101 LEU H H 101 7.427 7.427 7.368 0.059 19731 568 1 . 1 1 103 103 PRO HA H 103 4.481 4.481 4.410 0.071 19731 569 1 . 1 1 103 103 PRO C C 103 178.429 178.429 177.038 1.391 19731 570 1 . 1 1 103 103 PRO CA C 103 62.922 62.922 63.121 -0.199 19731 571 1 . 1 1 103 103 PRO CB C 103 31.422 31.422 31.120 0.302 19731 572 1 . 1 1 104 104 GLY N N 104 113.733 113.733 112.295 1.438 19731 573 1 . 1 1 104 104 GLY C C 104 172.144 172.144 173.022 -0.878 19731 574 1 . 1 1 104 104 GLY CA C 104 45.964 45.964 45.243 0.721 19731 575 1 . 1 1 104 104 GLY H H 104 9.826 9.826 8.657 1.169 19731 576 1 . 1 1 105 105 VAL N N 105 116.265 116.265 115.392 0.873 19731 577 1 . 1 1 105 105 VAL HA H 105 4.704 4.704 5.153 -0.450 19731 578 1 . 1 1 105 105 VAL C C 105 174.654 174.654 173.716 0.938 19731 579 1 . 1 1 105 105 VAL CA C 105 60.523 60.523 59.388 1.135 19731 580 1 . 1 1 105 105 VAL CB C 105 34.927 34.927 34.786 0.141 19731 581 1 . 1 1 105 105 VAL H H 105 7.518 7.518 7.277 0.241 19731 582 1 . 1 1 106 106 ALA N N 106 129.764 129.764 124.988 4.776 19731 583 1 . 1 1 106 106 ALA HA H 106 5.415 5.415 5.509 -0.094 19731 584 1 . 1 1 106 106 ALA C C 106 174.954 174.954 175.876 -0.922 19731 585 1 . 1 1 106 106 ALA CA C 106 51.521 51.521 50.134 1.387 19731 586 1 . 1 1 106 106 ALA CB C 106 23.733 23.733 22.426 1.307 19731 587 1 . 1 1 106 106 ALA H H 106 9.484 9.484 8.470 1.014 19731 588 1 . 1 1 107 107 LYS N N 107 113.733 113.733 119.385 -5.652 19731 589 1 . 1 1 107 107 LYS HA H 107 4.921 4.921 4.763 0.158 19731 590 1 . 1 1 107 107 LYS C C 107 176.262 176.262 174.681 1.581 19731 591 1 . 1 1 107 107 LYS CA C 107 54.574 54.574 55.544 -0.970 19731 592 1 . 1 1 107 107 LYS CB C 107 39.623 39.623 36.272 3.351 19731 593 1 . 1 1 107 107 LYS H H 107 8.184 8.184 8.095 0.089 19731 594 1 . 1 1 108 108 PHE N N 108 122.733 122.733 124.533 -1.800 19731 595 1 . 1 1 108 108 PHE HA H 108 6.021 6.021 4.837 1.184 19731 596 1 . 1 1 108 108 PHE C C 108 177.828 177.828 174.800 3.028 19731 597 1 . 1 1 108 108 PHE CA C 108 56.688 56.688 57.295 -0.607 19731 598 1 . 1 1 108 108 PHE CB C 108 42.128 42.128 41.214 0.914 19731 599 1 . 1 1 108 108 PHE H H 108 11.610 11.610 8.614 2.996 19731 600 1 . 1 1 109 109 LYS N N 109 122.733 122.733 124.860 -2.127 19731 601 1 . 1 1 109 109 LYS HA H 109 4.603 4.603 4.459 0.144 19731 602 1 . 1 1 109 109 LYS C C 109 173.152 173.152 173.909 -0.757 19731 603 1 . 1 1 109 109 LYS CA C 109 56.218 56.218 54.582 1.636 19731 604 1 . 1 1 109 109 LYS CB C 109 38.449 38.449 35.111 3.338 19731 605 1 . 1 1 109 109 LYS H H 109 9.275 9.275 8.264 1.011 19731 606 1 . 1 1 110 110 GLN N N 110 126.952 126.952 125.823 1.129 19731 607 1 . 1 1 110 110 GLN HA H 110 4.126 4.126 4.129 -0.003 19731 608 1 . 1 1 110 110 GLN C C 110 175.040 175.040 175.452 -0.412 19731 609 1 . 1 1 110 110 GLN CA C 110 55.891 55.891 54.916 0.975 19731 610 1 . 1 1 110 110 GLN CB C 110 29.447 29.447 30.545 -1.098 19731 611 1 . 1 1 110 110 GLN H H 110 8.910 8.910 8.502 0.408 19731 612 1 . 1 1 111 111 GLY N N 111 113.910 113.910 114.554 -0.644 19731 613 1 . 1 1 111 111 GLY C C 111 171.543 171.543 172.906 -1.363 19731 614 1 . 1 1 111 111 GLY CA C 111 44.633 44.633 44.523 0.110 19731 615 1 . 1 1 111 111 GLY H H 111 7.170 7.170 7.879 -0.709 19731 616 1 . 1 1 112 112 GLY N N 112 102.365 102.365 110.164 -7.799 19731 617 1 . 1 1 112 112 GLY C C 112 174.954 174.954 173.517 1.437 19731 618 1 . 1 1 112 112 GLY CA C 112 43.381 43.381 44.598 -1.217 19731 619 1 . 1 1 112 112 GLY H H 112 7.634 7.634 8.126 -0.492 19731 620 1 . 1 1 113 113 GLY N N 113 104.247 104.247 108.786 -4.539 19731 621 1 . 1 1 113 113 GLY C C 113 174.737 174.737 173.313 1.424 19731 622 1 . 1 1 113 113 GLY CA C 113 44.405 44.405 44.772 -0.367 19731 623 1 . 1 1 113 113 GLY H H 113 8.109 8.109 8.249 -0.140 19731 624 1 . 1 1 114 114 HIS N N 114 114.133 114.133 117.719 -3.586 19731 625 1 . 1 1 114 114 HIS HA H 114 4.521 4.521 4.780 -0.259 19731 626 1 . 1 1 114 114 HIS CA C 114 55.197 55.197 54.786 0.411 19731 627 1 . 1 1 114 114 HIS CB C 114 31.659 31.659 30.835 0.824 19731 628 1 . 1 1 114 114 HIS H H 114 7.472 7.472 7.938 -0.466 19731 629 1 . 1 1 115 115 GLY N N 115 111.756 111.756 110.058 1.698 19731 630 1 . 1 1 115 115 GLY C C 115 175.298 175.298 174.868 0.430 19731 631 1 . 1 1 115 115 GLY CA C 115 46.908 46.908 44.424 2.484 19731 632 1 . 1 1 115 115 GLY H H 115 8.472 8.472 8.731 -0.259 19731 633 1 . 1 1 116 116 GLY N N 116 112.890 112.890 109.056 3.834 19731 634 1 . 1 1 116 116 GLY C C 116 174.010 174.010 173.682 0.328 19731 635 1 . 1 1 116 116 GLY CA C 116 44.718 44.718 45.457 -0.739 19731 636 1 . 1 1 116 116 GLY H H 116 11.124 11.124 8.389 2.735 19731 637 1 . 1 1 117 117 HIS N N 117 124.702 124.702 119.179 5.523 19731 638 1 . 1 1 117 117 HIS HA H 117 4.534 4.534 4.792 -0.258 19731 639 1 . 1 1 117 117 HIS C C 117 177.485 177.485 174.751 2.734 19731 640 1 . 1 1 117 117 HIS CA C 117 57.152 57.152 54.824 2.328 19731 641 1 . 1 1 117 117 HIS CB C 117 32.422 32.422 32.725 -0.303 19731 642 1 . 1 1 117 117 HIS H H 117 8.275 8.275 7.930 0.345 19731 643 1 . 1 1 118 118 ASN HA H 118 4.353 4.353 4.310 0.043 19731 644 1 . 1 1 118 118 ASN C C 118 178.751 178.751 177.197 1.554 19731 645 1 . 1 1 118 118 ASN CA C 118 56.610 56.610 56.733 -0.123 19731 646 1 . 1 1 118 118 ASN CB C 118 38.214 38.214 38.155 0.059 19731 647 1 . 1 1 119 119 GLY N N 119 112.608 112.608 107.891 4.717 19731 648 1 . 1 1 119 119 GLY C C 119 177.163 177.163 176.024 1.139 19731 649 1 . 1 1 119 119 GLY CA C 119 47.373 47.373 47.082 0.291 19731 650 1 . 1 1 119 119 GLY H H 119 9.608 9.608 8.053 1.555 19731 651 1 . 1 1 120 120 LEU N N 120 125.827 125.827 121.979 3.848 19731 652 1 . 1 1 120 120 LEU HA H 120 3.973 3.973 4.252 -0.279 19731 653 1 . 1 1 120 120 LEU C C 120 178.729 178.729 179.041 -0.312 19731 654 1 . 1 1 120 120 LEU CA C 120 57.940 57.940 56.415 1.525 19731 655 1 . 1 1 120 120 LEU CB C 120 42.833 42.833 40.998 1.835 19731 656 1 . 1 1 120 120 LEU H H 120 8.199 8.199 7.724 0.475 19731 657 1 . 1 1 121 121 LYS N N 121 119.921 119.921 120.594 -0.673 19731 658 1 . 1 1 121 121 LYS HA H 121 3.681 3.681 4.015 -0.334 19731 659 1 . 1 1 121 121 LYS C C 121 178.708 178.708 178.835 -0.127 19731 660 1 . 1 1 121 121 LYS CA C 121 60.837 60.837 58.732 2.105 19731 661 1 . 1 1 121 121 LYS CB C 121 33.204 33.204 31.782 1.422 19731 662 1 . 1 1 121 121 LYS H H 121 8.760 8.760 8.308 0.452 19731 663 1 . 1 1 122 122 ASP N N 122 117.389 117.389 119.061 -1.671 19731 664 1 . 1 1 122 122 ASP HA H 122 4.550 4.550 4.405 0.145 19731 665 1 . 1 1 122 122 ASP C C 122 178.107 178.107 178.134 -0.027 19731 666 1 . 1 1 122 122 ASP CA C 122 58.175 58.175 57.641 0.534 19731 667 1 . 1 1 122 122 ASP CB C 122 43.694 43.694 40.716 2.978 19731 668 1 . 1 1 122 122 ASP H H 122 7.245 7.245 8.522 -1.277 19731 669 1 . 1 1 123 123 THR N N 123 116.546 116.546 115.165 1.381 19731 670 1 . 1 1 123 123 THR HA H 123 3.830 3.830 3.964 -0.134 19731 671 1 . 1 1 123 123 THR C C 123 174.696 174.696 176.539 -1.843 19731 672 1 . 1 1 123 123 THR CA C 123 69.447 69.447 66.337 3.110 19731 673 1 . 1 1 123 123 THR CB C 123 67.803 67.803 68.557 -0.754 19731 674 1 . 1 1 123 123 THR H H 123 7.639 7.639 7.620 0.019 19731 675 1 . 1 1 124 124 ILE N N 124 118.736 118.736 121.463 -2.727 19731 676 1 . 1 1 124 124 ILE HA H 124 4.393 4.393 3.730 0.663 19731 677 1 . 1 1 124 124 ILE C C 124 179.051 179.051 178.096 0.955 19731 678 1 . 1 1 124 124 ILE CA C 124 65.453 65.453 63.392 2.062 19731 679 1 . 1 1 124 124 ILE CB C 124 39.578 39.578 36.900 2.678 19731 680 1 . 1 1 124 124 ILE H H 124 8.078 8.078 7.514 0.564 19731 681 1 . 1 1 125 125 SER N N 125 110.921 110.921 116.049 -5.128 19731 682 1 . 1 1 125 125 SER HA H 125 4.177 4.177 4.147 0.030 19731 683 1 . 1 1 125 125 SER C C 125 178.729 178.729 176.240 2.489 19731 684 1 . 1 1 125 125 SER CA C 125 61.619 61.619 61.453 0.166 19731 685 1 . 1 1 125 125 SER CB C 125 63.263 63.263 62.913 0.350 19731 686 1 . 1 1 125 125 SER H H 125 7.397 7.397 8.263 -0.866 19731 687 1 . 1 1 126 126 LYS N N 126 119.572 119.572 119.930 -0.358 19731 688 1 . 1 1 126 126 LYS HA H 126 4.247 4.247 4.209 0.038 19731 689 1 . 1 1 126 126 LYS C C 126 178.407 178.407 177.655 0.752 19731 690 1 . 1 1 126 126 LYS CA C 126 58.019 58.019 57.578 0.441 19731 691 1 . 1 1 126 126 LYS CB C 126 31.874 31.874 32.619 -0.745 19731 692 1 . 1 1 126 126 LYS H H 126 8.457 8.457 7.928 0.529 19731 693 1 . 1 1 127 127 LEU N N 127 119.633 119.633 117.035 2.598 19731 694 1 . 1 1 127 127 LEU HA H 127 4.565 4.565 4.437 0.128 19731 695 1 . 1 1 127 127 LEU C C 127 176.542 176.542 177.454 -0.912 19731 696 1 . 1 1 127 127 LEU CA C 127 54.291 54.291 54.741 -0.450 19731 697 1 . 1 1 127 127 LEU CB C 127 40.451 40.451 42.836 -2.385 19731 698 1 . 1 1 127 127 LEU H H 127 7.753 7.753 7.706 0.047 19731 699 1 . 1 1 128 128 GLY N N 128 107.827 107.827 108.424 -0.597 19731 700 1 . 1 1 128 128 GLY C C 128 179.094 179.094 174.160 4.934 19731 701 1 . 1 1 128 128 GLY CA C 128 46.903 46.903 45.770 1.133 19731 702 1 . 1 1 128 128 GLY H H 128 7.773 7.773 7.963 -0.190 19731 703 1 . 1 1 129 129 ASN N N 129 115.879 115.879 120.756 -4.877 19731 704 1 . 1 1 129 129 ASN HA H 129 4.352 4.352 4.705 -0.353 19731 705 1 . 1 1 129 129 ASN C C 129 175.028 175.028 174.895 0.133 19731 706 1 . 1 1 129 129 ASN CA C 129 54.261 54.261 53.019 1.242 19731 707 1 . 1 1 129 129 ASN CB C 129 37.040 37.040 38.821 -1.781 19731 708 1 . 1 1 129 129 ASN H H 129 8.246 8.246 8.422 -0.176 19731 709 1 . 1 1 131 131 LYS HA H 131 4.694 4.694 4.595 0.099 19731 710 1 . 1 1 131 131 LYS C C 131 178.450 178.450 176.044 2.406 19731 711 1 . 1 1 131 131 LYS CA C 131 56.554 56.554 56.376 0.178 19731 712 1 . 1 1 131 131 LYS CB C 131 33.204 33.204 32.438 0.766 19731 713 1 . 1 1 132 132 GLU N N 132 119.297 119.297 120.100 -0.804 19731 714 1 . 1 1 132 132 GLU HA H 132 3.873 3.873 4.241 -0.368 19731 715 1 . 1 1 132 132 GLU C C 132 175.318 175.318 175.449 -0.131 19731 716 1 . 1 1 132 132 GLU CA C 132 56.923 56.923 55.524 1.399 19731 717 1 . 1 1 132 132 GLU CB C 132 27.803 27.803 29.749 -1.946 19731 718 1 . 1 1 132 132 GLU H H 132 8.699 8.699 8.268 0.431 19731 719 1 . 1 1 133 133 PHE N N 133 114.296 114.296 116.988 -2.692 19731 720 1 . 1 1 133 133 PHE HA H 133 5.067 5.067 4.850 0.217 19731 721 1 . 1 1 133 133 PHE C C 133 177.785 177.785 174.506 3.279 19731 722 1 . 1 1 133 133 PHE CA C 133 55.201 55.201 55.695 -0.494 19731 723 1 . 1 1 133 133 PHE CB C 133 40.249 40.249 39.444 0.805 19731 724 1 . 1 1 133 133 PHE H H 133 6.669 6.669 7.568 -0.899 19731 725 1 . 1 1 134 134 TYR N N 134 121.046 121.046 121.409 -0.363 19731 726 1 . 1 1 134 134 TYR HA H 134 4.973 4.973 5.173 -0.200 19731 727 1 . 1 1 134 134 TYR C C 134 176.219 176.219 175.877 0.342 19731 728 1 . 1 1 134 134 TYR CA C 134 59.506 59.506 57.045 2.461 19731 729 1 . 1 1 134 134 TYR CB C 134 41.658 41.658 40.203 1.455 19731 730 1 . 1 1 134 134 TYR H H 134 9.230 9.230 8.261 0.969 19731 731 1 . 1 1 135 135 ARG N N 135 119.639 119.639 120.091 -0.452 19731 732 1 . 1 1 135 135 ARG HA H 135 5.908 5.908 5.278 0.630 19731 733 1 . 1 1 135 135 ARG C C 135 174.353 174.353 174.171 0.182 19731 734 1 . 1 1 135 135 ARG CA C 135 54.758 54.758 55.055 -0.297 19731 735 1 . 1 1 135 135 ARG CB C 135 32.187 32.187 33.583 -1.396 19731 736 1 . 1 1 135 135 ARG H H 135 9.896 9.896 8.675 1.221 19731 737 1 . 1 1 136 136 LEU N N 136 126.108 126.108 119.267 6.841 19731 738 1 . 1 1 136 136 LEU HA H 136 4.858 4.858 5.361 -0.503 19731 739 1 . 1 1 136 136 LEU C C 136 173.131 173.131 175.837 -2.706 19731 740 1 . 1 1 136 136 LEU CA C 136 54.731 54.731 53.446 1.285 19731 741 1 . 1 1 136 136 LEU CB C 136 42.989 42.989 44.770 -1.781 19731 742 1 . 1 1 136 136 LEU H H 136 8.601 8.601 8.863 -0.262 19731 743 1 . 1 1 137 137 ARG N N 137 124.421 124.421 120.744 3.678 19731 744 1 . 1 1 137 137 ARG HA H 137 3.540 3.540 4.974 -1.434 19731 745 1 . 1 1 137 137 ARG C C 137 174.010 174.010 174.977 -0.967 19731 746 1 . 1 1 137 137 ARG CA C 137 54.484 54.484 53.977 0.507 19731 747 1 . 1 1 137 137 ARG CB C 137 32.265 32.265 32.865 -0.600 19731 748 1 . 1 1 137 137 ARG H H 137 9.230 9.230 8.681 0.549 19731 749 1 . 1 1 138 138 LEU N N 138 125.827 125.827 124.023 1.804 19731 750 1 . 1 1 138 138 LEU HA H 138 4.449 4.449 4.818 -0.369 19731 751 1 . 1 1 138 138 LEU C C 138 175.940 175.940 176.767 -0.827 19731 752 1 . 1 1 138 138 LEU CA C 138 53.870 53.870 53.446 0.424 19731 753 1 . 1 1 138 138 LEU CB C 138 41.580 41.580 43.047 -1.467 19731 754 1 . 1 1 138 138 LEU H H 138 8.640 8.640 8.327 0.313 19731 755 1 . 1 1 139 139 GLY N N 139 113.171 113.171 111.649 1.522 19731 756 1 . 1 1 139 139 GLY C C 139 174.353 174.353 174.344 0.009 19731 757 1 . 1 1 139 139 GLY CA C 139 48.782 48.782 45.547 3.235 19731 758 1 . 1 1 139 139 GLY H H 139 8.578 8.578 9.092 -0.514 19731 759 1 . 1 1 140 140 ILE N N 140 112.046 112.046 120.855 -8.809 19731 760 1 . 1 1 140 140 ILE HA H 140 4.761 4.761 4.516 0.245 19731 761 1 . 1 1 140 140 ILE C C 140 178.707 178.707 174.919 3.788 19731 762 1 . 1 1 140 140 ILE CA C 140 60.837 60.837 59.759 1.078 19731 763 1 . 1 1 140 140 ILE CB C 140 42.050 42.050 38.995 3.055 19731 764 1 . 1 1 140 140 ILE H H 140 8.125 8.125 8.136 -0.011 19731 765 1 . 1 1 141 141 GLY N N 141 116.265 116.265 109.004 7.261 19731 766 1 . 1 1 141 141 GLY C C 141 167.232 167.232 172.629 -5.397 19731 767 1 . 1 1 141 141 GLY CA C 141 45.416 45.416 44.105 1.310 19731 768 1 . 1 1 141 141 GLY H H 141 9.411 9.411 7.777 1.634 19731 769 1 . 1 1 142 142 HIS N N 142 113.452 113.452 119.832 -6.380 19731 770 1 . 1 1 142 142 HIS HA H 142 4.365 4.365 4.882 -0.517 19731 771 1 . 1 1 142 142 HIS C C 142 175.640 175.640 172.939 2.701 19731 772 1 . 1 1 142 142 HIS CA C 142 53.087 53.087 51.954 1.133 19731 773 1 . 1 1 142 142 HIS CB C 142 34.613 34.613 30.306 4.307 19731 774 1 . 1 1 142 142 HIS H H 142 7.578 7.578 7.995 -0.417 19731 775 1 . 1 1 143 143 PRO HA H 143 4.623 4.623 4.387 0.236 19731 776 1 . 1 1 143 143 PRO C C 143 176.842 176.842 176.298 0.544 19731 777 1 . 1 1 143 143 PRO CA C 143 62.922 62.922 63.251 -0.329 19731 778 1 . 1 1 143 143 PRO CB C 143 32.828 32.828 31.833 0.995 19731 779 1 . 1 1 144 144 GLY N N 144 106.468 106.468 110.498 -4.030 19731 780 1 . 1 1 144 144 GLY C C 144 173.411 173.411 173.401 0.010 19731 781 1 . 1 1 144 144 GLY CA C 144 45.221 45.221 45.044 0.177 19731 782 1 . 1 1 144 144 GLY H H 144 8.133 8.133 8.257 -0.124 19731 783 1 . 1 1 145 145 HIS N N 145 117.271 117.271 121.848 -4.577 19731 784 1 . 1 1 145 145 HIS HA H 145 4.534 4.534 4.809 -0.275 19731 785 1 . 1 1 145 145 HIS C C 145 176.636 176.636 176.391 0.245 19731 786 1 . 1 1 145 145 HIS CA C 145 57.079 57.079 55.736 1.343 19731 787 1 . 1 1 145 145 HIS CB C 145 34.144 34.144 31.202 2.942 19731 788 1 . 1 1 145 145 HIS H H 145 7.067 7.067 8.649 -1.581 19731 789 1 . 1 1 146 146 LYS HA H 146 4.242 4.242 4.134 0.108 19731 790 1 . 1 1 146 146 LYS C C 146 178.429 178.429 177.822 0.607 19731 791 1 . 1 1 146 146 LYS CA C 146 59.547 59.547 59.218 0.329 19731 792 1 . 1 1 146 146 LYS CB C 146 32.266 32.266 32.451 -0.185 19731 793 1 . 1 1 147 147 ASP N N 147 122.171 122.171 118.497 3.674 19731 794 1 . 1 1 147 147 ASP HA H 147 4.637 4.637 4.566 0.071 19731 795 1 . 1 1 147 147 ASP C C 147 177.442 177.442 177.055 0.387 19731 796 1 . 1 1 147 147 ASP CA C 147 56.140 56.140 56.290 -0.150 19731 797 1 . 1 1 147 147 ASP CB C 147 40.093 40.093 40.722 -0.629 19731 798 1 . 1 1 147 147 ASP H H 147 10.805 10.805 8.705 2.100 19731 799 1 . 1 1 148 148 LYS N N 148 116.546 116.546 118.810 -2.264 19731 800 1 . 1 1 148 148 LYS HA H 148 4.514 4.514 4.540 -0.026 19731 801 1 . 1 1 148 148 LYS C C 148 177.163 177.163 177.082 0.081 19731 802 1 . 1 1 148 148 LYS CA C 148 55.827 55.827 54.804 1.023 19731 803 1 . 1 1 148 148 LYS CB C 148 34.613 34.613 31.865 2.748 19731 804 1 . 1 1 148 148 LYS H H 148 7.775 7.775 7.912 -0.137 19731 805 1 . 1 1 149 149 VAL N N 149 121.046 121.046 119.647 1.399 19731 806 1 . 1 1 149 149 VAL HA H 149 3.245 3.245 3.279 -0.034 19731 807 1 . 1 1 149 149 VAL C C 149 176.241 176.241 176.533 -0.292 19731 808 1 . 1 1 149 149 VAL CA C 149 68.195 68.195 65.482 2.713 19731 809 1 . 1 1 149 149 VAL CB C 149 32.109 32.109 31.392 0.717 19731 810 1 . 1 1 149 149 VAL H H 149 7.366 7.366 7.381 -0.015 19731 811 1 . 1 1 150 150 ALA N N 150 121.889 121.889 121.153 0.736 19731 812 1 . 1 1 150 150 ALA HA H 150 4.049 4.049 3.972 0.077 19731 813 1 . 1 1 150 150 ALA C C 150 180.016 180.016 179.137 0.879 19731 814 1 . 1 1 150 150 ALA CA C 150 55.827 55.827 54.370 1.457 19731 815 1 . 1 1 150 150 ALA CB C 150 17.627 17.627 17.976 -0.349 19731 816 1 . 1 1 150 150 ALA H H 150 8.675 8.675 8.181 0.494 19731 817 1 . 1 1 151 151 GLY N N 151 102.202 102.202 106.109 -3.907 19731 818 1 . 1 1 151 151 GLY C C 151 175.919 175.919 175.571 0.348 19731 819 1 . 1 1 151 151 GLY CA C 151 45.964 45.964 46.745 -0.781 19731 820 1 . 1 1 151 151 GLY H H 151 8.366 8.366 7.736 0.629 19731 821 1 . 1 1 152 152 TYR N N 152 123.296 123.296 119.027 4.269 19731 822 1 . 1 1 152 152 TYR HA H 152 4.231 4.231 4.428 -0.197 19731 823 1 . 1 1 152 152 TYR C C 152 179.694 179.694 177.612 2.082 19731 824 1 . 1 1 152 152 TYR CA C 152 61.385 61.385 58.209 3.176 19731 825 1 . 1 1 152 152 TYR CB C 152 40.484 40.484 37.812 2.672 19731 826 1 . 1 1 152 152 TYR H H 152 7.942 7.942 7.013 0.929 19731 827 1 . 1 1 153 153 VAL N N 153 112.890 112.890 118.067 -5.177 19731 828 1 . 1 1 153 153 VAL HA H 153 4.028 4.028 3.894 0.134 19731 829 1 . 1 1 153 153 VAL C C 153 175.620 175.620 176.396 -0.776 19731 830 1 . 1 1 153 153 VAL CA C 153 65.142 65.142 65.255 -0.113 19731 831 1 . 1 1 153 153 VAL CB C 153 31.091 31.091 32.089 -0.998 19731 832 1 . 1 1 153 153 VAL H H 153 8.618 8.618 7.697 0.921 19731 833 1 . 1 1 154 154 LEU N N 154 117.108 117.108 111.375 5.733 19731 834 1 . 1 1 154 154 LEU HA H 154 4.717 4.717 4.731 -0.014 19731 835 1 . 1 1 154 154 LEU C C 154 175.297 175.297 176.250 -0.953 19731 836 1 . 1 1 154 154 LEU CA C 154 53.948 53.948 53.443 0.505 19731 837 1 . 1 1 154 154 LEU CB C 154 40.641 40.641 41.412 -0.771 19731 838 1 . 1 1 154 154 LEU H H 154 6.897 6.897 7.587 -0.690 19731 839 1 . 1 1 155 155 GLY N N 155 107.827 107.827 108.604 -0.777 19731 840 1 . 1 1 155 155 GLY C C 155 171.844 171.844 173.452 -1.608 19731 841 1 . 1 1 155 155 GLY CA C 155 43.615 43.615 44.129 -0.514 19731 842 1 . 1 1 155 155 GLY H H 155 7.351 7.351 7.593 -0.242 19731 843 1 . 1 1 156 156 LYS N N 156 118.233 118.233 120.296 -2.063 19731 844 1 . 1 1 156 156 LYS HA H 156 4.656 4.656 4.482 0.174 19731 845 1 . 1 1 156 156 LYS C C 156 176.541 176.541 176.713 -0.172 19731 846 1 . 1 1 156 156 LYS CA C 156 54.887 54.887 55.818 -0.931 19731 847 1 . 1 1 156 156 LYS CB C 156 33.518 33.518 32.713 0.805 19731 848 1 . 1 1 156 156 LYS H H 156 8.154 8.154 8.393 -0.239 19731 849 1 . 1 1 157 157 ALA N N 157 130.608 130.608 129.393 1.215 19731 850 1 . 1 1 157 157 ALA HA H 157 4.394 4.394 4.593 -0.199 19731 851 1 . 1 1 157 157 ALA C C 157 175.876 175.876 175.438 0.438 19731 852 1 . 1 1 157 157 ALA CA C 157 50.895 50.895 49.774 1.121 19731 853 1 . 1 1 157 157 ALA CB C 157 17.784 17.784 18.458 -0.674 19731 854 1 . 1 1 157 157 ALA H H 157 9.777 9.777 8.247 1.530 19731 855 1 . 1 1 158 158 PRO HA H 158 4.516 4.516 4.471 0.045 19731 856 1 . 1 1 158 158 PRO C C 158 176.532 176.532 177.069 -0.537 19731 857 1 . 1 1 158 158 PRO CA C 158 62.167 62.167 62.337 -0.170 19731 858 1 . 1 1 158 158 PRO CB C 158 32.343 32.343 32.331 0.011 19731 859 1 . 1 1 159 159 ALA N N 159 123.733 123.733 125.174 -1.441 19731 860 1 . 1 1 159 159 ALA HA H 159 4.044 4.044 4.008 0.036 19731 861 1 . 1 1 159 159 ALA C C 159 179.706 179.706 179.500 0.206 19731 862 1 . 1 1 159 159 ALA CA C 159 56.766 56.766 55.446 1.320 19731 863 1 . 1 1 159 159 ALA CB C 159 18.879 18.879 18.483 0.396 19731 864 1 . 1 1 159 159 ALA H H 159 8.575 8.575 8.604 -0.029 19731 865 1 . 1 1 160 160 LYS N N 160 116.796 116.796 116.656 0.140 19731 866 1 . 1 1 160 160 LYS HA H 160 4.157 4.157 4.165 -0.008 19731 867 1 . 1 1 160 160 LYS C C 160 179.115 179.115 178.258 0.857 19731 868 1 . 1 1 160 160 LYS CA C 160 58.958 58.958 58.910 0.048 19731 869 1 . 1 1 160 160 LYS CB C 160 31.561 31.561 31.895 -0.334 19731 870 1 . 1 1 160 160 LYS H H 160 8.883 8.883 8.381 0.502 19731 871 1 . 1 1 161 161 GLU N N 161 118.514 118.514 119.035 -0.521 19731 872 1 . 1 1 161 161 GLU HA H 161 4.114 4.114 4.170 -0.056 19731 873 1 . 1 1 161 161 GLU C C 161 178.707 178.707 178.798 -0.091 19731 874 1 . 1 1 161 161 GLU CA C 161 59.349 59.349 58.267 1.083 19731 875 1 . 1 1 161 161 GLU CB C 161 31.247 31.247 29.820 1.427 19731 876 1 . 1 1 161 161 GLU H H 161 6.988 6.988 7.692 -0.705 19731 877 1 . 1 1 162 162 GLN N N 162 120.202 120.202 118.941 1.261 19731 878 1 . 1 1 162 162 GLN HA H 162 3.700 3.700 4.016 -0.316 19731 879 1 . 1 1 162 162 GLN C C 162 177.184 177.184 178.237 -1.053 19731 880 1 . 1 1 162 162 GLN CA C 162 58.019 58.019 58.368 -0.349 19731 881 1 . 1 1 162 162 GLN CB C 162 28.273 28.273 28.360 -0.087 19731 882 1 . 1 1 162 162 GLN H H 162 8.988 8.988 8.334 0.654 19731 883 1 . 1 1 163 163 GLU N N 163 117.952 117.952 119.828 -1.876 19731 884 1 . 1 1 163 163 GLU HA H 163 4.140 4.140 4.122 0.018 19731 885 1 . 1 1 163 163 GLU C C 163 180.273 180.273 178.774 1.499 19731 886 1 . 1 1 163 163 GLU CA C 163 59.897 59.897 59.297 0.600 19731 887 1 . 1 1 163 163 GLU CB C 163 29.760 29.760 28.979 0.781 19731 888 1 . 1 1 163 163 GLU H H 163 8.063 8.063 8.251 -0.188 19731 889 1 . 1 1 164 164 CYS N N 164 118.796 118.796 116.818 1.978 19731 890 1 . 1 1 164 164 CYS HA H 164 4.140 4.140 4.308 -0.168 19731 891 1 . 1 1 164 164 CYS C C 164 176.562 176.562 176.468 0.094 19731 892 1 . 1 1 164 164 CYS CA C 164 63.420 63.420 61.882 1.538 19731 893 1 . 1 1 164 164 CYS CB C 164 26.316 26.316 26.772 -0.456 19731 894 1 . 1 1 164 164 CYS H H 164 7.306 7.306 7.781 -0.475 19731 895 1 . 1 1 165 165 LEU N N 165 121.327 121.327 122.972 -1.645 19731 896 1 . 1 1 165 165 LEU HA H 165 4.297 4.297 4.079 0.218 19731 897 1 . 1 1 165 165 LEU C C 165 179.029 179.029 178.145 0.884 19731 898 1 . 1 1 165 165 LEU CA C 165 58.410 58.410 57.899 0.511 19731 899 1 . 1 1 165 165 LEU CB C 165 42.285 42.285 41.721 0.564 19731 900 1 . 1 1 165 165 LEU H H 165 8.357 8.357 7.577 0.780 19731 901 1 . 1 1 166 166 ASP N N 166 119.358 119.358 119.167 0.191 19731 902 1 . 1 1 166 166 ASP HA H 166 4.231 4.231 4.403 -0.172 19731 903 1 . 1 1 166 166 ASP C C 166 179.029 179.029 178.246 0.783 19731 904 1 . 1 1 166 166 ASP CA C 166 57.392 57.392 57.721 -0.329 19731 905 1 . 1 1 166 166 ASP CB C 166 39.701 39.701 40.903 -1.202 19731 906 1 . 1 1 166 166 ASP H H 166 9.169 9.169 8.292 0.877 19731 907 1 . 1 1 167 167 ALA N N 167 122.171 122.171 121.585 0.586 19731 908 1 . 1 1 167 167 ALA HA H 167 4.322 4.322 4.215 0.107 19731 909 1 . 1 1 167 167 ALA C C 167 180.616 180.616 179.406 1.210 19731 910 1 . 1 1 167 167 ALA CA C 167 54.966 54.966 55.011 -0.045 19731 911 1 . 1 1 167 167 ALA CB C 167 18.488 18.488 18.417 0.071 19731 912 1 . 1 1 167 167 ALA H H 167 7.745 7.745 7.683 0.062 19731 913 1 . 1 1 168 168 ALA N N 168 122.452 122.452 121.041 1.411 19731 914 1 . 1 1 168 168 ALA HA H 168 4.064 4.064 4.328 -0.264 19731 915 1 . 1 1 168 168 ALA C C 168 180.917 180.917 179.556 1.361 19731 916 1 . 1 1 168 168 ALA CA C 168 55.435 55.435 54.653 0.783 19731 917 1 . 1 1 168 168 ALA CB C 168 17.705 17.705 18.398 -0.692 19731 918 1 . 1 1 168 168 ALA H H 168 8.164 8.164 7.728 0.436 19731 919 1 . 1 1 169 169 VAL N N 169 124.702 124.702 118.781 5.921 19731 920 1 . 1 1 169 169 VAL HA H 169 3.442 3.442 3.630 -0.188 19731 921 1 . 1 1 169 169 VAL C C 169 177.442 177.442 177.494 -0.052 19731 922 1 . 1 1 169 169 VAL CA C 169 67.725 67.725 66.781 0.944 19731 923 1 . 1 1 169 169 VAL CB C 169 31.639 31.639 31.496 0.143 19731 924 1 . 1 1 169 169 VAL H H 169 9.052 9.052 7.745 1.307 19731 925 1 . 1 1 170 170 ASP N N 170 119.358 119.358 119.894 -0.536 19731 926 1 . 1 1 170 170 ASP HA H 170 4.235 4.235 4.277 -0.042 19731 927 1 . 1 1 170 170 ASP C C 170 178.750 178.750 178.253 0.497 19731 928 1 . 1 1 170 170 ASP CA C 170 57.862 57.862 57.834 0.028 19731 929 1 . 1 1 170 170 ASP CB C 170 40.719 40.719 40.959 -0.239 19731 930 1 . 1 1 170 170 ASP H H 170 8.139 8.139 7.858 0.281 19731 931 1 . 1 1 171 171 GLU N N 171 119.639 119.639 118.686 0.953 19731 932 1 . 1 1 171 171 GLU HA H 171 4.142 4.142 3.874 0.268 19731 933 1 . 1 1 171 171 GLU C C 171 179.050 179.050 178.897 0.153 19731 934 1 . 1 1 171 171 GLU CA C 171 58.175 58.175 58.794 -0.619 19731 935 1 . 1 1 171 171 GLU CB C 171 28.116 28.116 28.839 -0.723 19731 936 1 . 1 1 171 171 GLU H H 171 7.821 7.821 7.713 0.108 19731 937 1 . 1 1 172 172 SER N N 172 119.251 119.251 116.008 3.243 19731 938 1 . 1 1 172 172 SER HA H 172 3.818 3.818 4.213 -0.394 19731 939 1 . 1 1 172 172 SER C C 172 175.919 175.919 176.799 -0.879 19731 940 1 . 1 1 172 172 SER CA C 172 64.594 64.594 62.064 2.530 19731 941 1 . 1 1 172 172 SER CB C 172 62.794 62.794 63.059 -0.265 19731 942 1 . 1 1 172 172 SER H H 172 8.457 8.457 8.080 0.377 19731 943 1 . 1 1 173 173 VAL N N 173 121.889 121.889 117.513 4.376 19731 944 1 . 1 1 173 173 VAL HA H 173 3.462 3.462 3.900 -0.438 19731 945 1 . 1 1 173 173 VAL C C 173 178.407 178.407 176.938 1.469 19731 946 1 . 1 1 173 173 VAL CA C 173 67.803 67.803 64.951 2.853 19731 947 1 . 1 1 173 173 VAL CB C 173 31.404 31.404 31.064 0.340 19731 948 1 . 1 1 173 173 VAL H H 173 8.316 8.316 7.849 0.467 19731 949 1 . 1 1 174 174 ARG N N 174 118.796 118.796 120.233 -1.437 19731 950 1 . 1 1 174 174 ARG HA H 174 4.132 4.132 4.194 -0.062 19731 951 1 . 1 1 174 174 ARG C C 174 180.938 180.938 178.389 2.549 19731 952 1 . 1 1 174 174 ARG CA C 174 59.506 59.506 58.338 1.168 19731 953 1 . 1 1 174 174 ARG CB C 174 30.073 30.073 29.640 0.433 19731 954 1 . 1 1 174 174 ARG H H 174 7.669 7.669 7.700 -0.031 19731 955 1 . 1 1 175 175 CYS N N 175 117.070 117.070 117.688 -0.618 19731 956 1 . 1 1 175 175 CYS HA H 175 4.327 4.327 4.244 0.083 19731 957 1 . 1 1 175 175 CYS C C 175 176.541 176.541 176.533 0.008 19731 958 1 . 1 1 175 175 CYS CA C 175 64.437 64.437 61.161 3.276 19731 959 1 . 1 1 175 175 CYS CB C 175 27.255 27.255 26.659 0.595 19731 960 1 . 1 1 175 175 CYS H H 175 8.649 8.649 8.175 0.474 19731 961 1 . 1 1 176 176 LEU N N 176 125.264 125.264 121.261 4.003 19731 962 1 . 1 1 176 176 LEU HA H 176 4.080 4.080 3.990 0.090 19731 963 1 . 1 1 176 176 LEU C C 176 178.450 178.450 179.153 -0.703 19731 964 1 . 1 1 176 176 LEU CA C 176 57.862 57.862 57.477 0.385 19731 965 1 . 1 1 176 176 LEU CB C 176 41.893 41.893 41.238 0.656 19731 966 1 . 1 1 176 176 LEU H H 176 8.699 8.699 7.653 1.046 19731 967 1 . 1 1 177 177 GLU N N 177 118.260 118.260 119.699 -1.438 19731 968 1 . 1 1 177 177 GLU HA H 177 3.761 3.761 4.026 -0.265 19731 969 1 . 1 1 177 177 GLU C C 177 179.029 179.029 178.825 0.204 19731 970 1 . 1 1 177 177 GLU CA C 177 60.523 60.523 59.210 1.313 19731 971 1 . 1 1 177 177 GLU CB C 177 29.212 29.212 29.749 -0.537 19731 972 1 . 1 1 177 177 GLU H H 177 7.533 7.533 7.543 -0.011 19731 973 1 . 1 1 178 178 ILE N N 178 118.788 118.788 119.905 -1.117 19731 974 1 . 1 1 178 178 ILE HA H 178 3.677 3.677 3.802 -0.125 19731 975 1 . 1 1 178 178 ILE C C 178 177.785 177.785 178.234 -0.449 19731 976 1 . 1 1 178 178 ILE CA C 178 65.142 65.142 63.382 1.760 19731 977 1 . 1 1 178 178 ILE CB C 178 38.527 38.527 37.020 1.507 19731 978 1 . 1 1 178 178 ILE H H 178 7.384 7.384 7.707 -0.323 19731 979 1 . 1 1 179 179 LEU N N 179 123.577 123.577 121.327 2.250 19731 980 1 . 1 1 179 179 LEU HA H 179 3.700 3.700 4.035 -0.335 19731 981 1 . 1 1 179 179 LEU C C 179 178.129 178.129 178.696 -0.567 19731 982 1 . 1 1 179 179 LEU CA C 179 58.645 58.645 58.142 0.503 19731 983 1 . 1 1 179 179 LEU CB C 179 41.893 41.893 42.121 -0.228 19731 984 1 . 1 1 179 179 LEU H H 179 8.503 8.503 8.239 0.264 19731 985 1 . 1 1 180 180 MET N N 180 113.171 113.171 113.390 -0.219 19731 986 1 . 1 1 180 180 MET HA H 180 4.186 4.186 4.322 -0.136 19731 987 1 . 1 1 180 180 MET C C 180 176.498 176.498 177.244 -0.746 19731 988 1 . 1 1 180 180 MET CA C 180 55.905 55.905 57.875 -1.970 19731 989 1 . 1 1 180 180 MET CB C 180 31.013 31.013 32.884 -1.871 19731 990 1 . 1 1 180 180 MET H H 180 7.139 7.139 7.521 -0.382 19731 991 1 . 1 1 181 181 LYS N N 181 117.952 117.952 116.919 1.033 19731 992 1 . 1 1 181 181 LYS HA H 181 4.273 4.273 4.349 -0.076 19731 993 1 . 1 1 181 181 LYS C C 181 176.542 176.542 177.426 -0.884 19731 994 1 . 1 1 181 181 LYS CA C 181 58.723 58.723 57.601 1.122 19731 995 1 . 1 1 181 181 LYS CB C 181 34.927 34.927 33.280 1.647 19731 996 1 . 1 1 181 181 LYS H H 181 7.665 7.665 7.517 0.148 19731 997 1 . 1 1 182 182 ASP N N 182 116.827 116.827 117.874 -1.047 19731 998 1 . 1 1 182 182 ASP HA H 182 4.920 4.920 4.811 0.109 19731 999 1 . 1 1 182 182 ASP C C 182 177.485 177.485 175.205 2.280 19731 1000 1 . 1 1 182 182 ASP CA C 182 54.887 54.887 54.124 0.762 19731 1001 1 . 1 1 182 182 ASP CB C 182 44.790 44.790 43.365 1.425 19731 1002 1 . 1 1 182 182 ASP H H 182 9.191 9.191 8.222 0.970 19731 1003 1 . 1 1 183 183 GLY N N 183 110.358 110.358 107.082 3.276 19731 1004 1 . 1 1 183 183 GLY C C 183 173.410 173.410 174.556 -1.146 19731 1005 1 . 1 1 183 183 GLY CA C 183 44.641 44.641 44.460 0.181 19731 1006 1 . 1 1 183 183 GLY H H 183 7.745 7.745 7.530 0.215 19731 1007 1 . 1 1 184 184 LEU N N 184 118.796 118.796 118.993 -0.197 19731 1008 1 . 1 1 184 184 LEU HA H 184 3.700 3.700 4.064 -0.364 19731 1009 1 . 1 1 184 184 LEU C C 184 177.506 177.506 177.906 -0.400 19731 1010 1 . 1 1 184 184 LEU CA C 184 58.410 58.410 57.403 1.007 19731 1011 1 . 1 1 184 184 LEU CB C 184 42.206 42.206 41.405 0.801 19731 1012 1 . 1 1 184 184 LEU H H 184 8.381 8.381 8.531 -0.150 19731 1013 1 . 1 1 185 185 THR N N 185 115.421 115.421 112.066 3.355 19731 1014 1 . 1 1 185 185 THR HA H 185 3.819 3.819 3.936 -0.117 19731 1015 1 . 1 1 185 185 THR C C 185 176.520 176.520 176.408 0.112 19731 1016 1 . 1 1 185 185 THR CA C 185 67.021 67.021 65.570 1.451 19731 1017 1 . 1 1 185 185 THR CB C 185 68.351 68.351 68.202 0.149 19731 1018 1 . 1 1 185 185 THR H H 185 8.336 8.336 8.142 0.194 19731 1019 1 . 1 1 186 186 LYS N N 186 120.202 120.202 121.929 -1.727 19731 1020 1 . 1 1 186 186 LYS HA H 186 3.958 3.958 4.064 -0.106 19731 1021 1 . 1 1 186 186 LYS C C 186 179.329 179.329 178.320 1.009 19731 1022 1 . 1 1 186 186 LYS CA C 186 59.547 59.547 58.822 0.725 19731 1023 1 . 1 1 186 186 LYS CB C 186 32.343 32.343 31.767 0.575 19731 1024 1 . 1 1 186 186 LYS H H 186 8.237 8.237 7.625 0.612 19731 1025 1 . 1 1 187 187 ALA N N 187 121.889 121.889 121.602 0.287 19731 1026 1 . 1 1 187 187 ALA HA H 187 3.913 3.913 4.013 -0.100 19731 1027 1 . 1 1 187 187 ALA C C 187 178.772 178.772 179.646 -0.874 19731 1028 1 . 1 1 187 187 ALA CA C 187 55.905 55.905 55.022 0.883 19731 1029 1 . 1 1 187 187 ALA CB C 187 19.584 19.584 18.058 1.526 19731 1030 1 . 1 1 187 187 ALA H H 187 7.566 7.566 7.522 0.044 19731 1031 1 . 1 1 188 188 GLN N N 188 117.952 117.952 118.718 -0.766 19731 1032 1 . 1 1 188 188 GLN HA H 188 3.809 3.809 3.952 -0.143 19731 1033 1 . 1 1 188 188 GLN C C 188 176.863 176.863 178.363 -1.500 19731 1034 1 . 1 1 188 188 GLN CA C 188 59.036 59.036 58.765 0.271 19731 1035 1 . 1 1 188 188 GLN CB C 188 29.056 29.056 28.242 0.814 19731 1036 1 . 1 1 188 188 GLN H H 188 9.125 9.125 8.251 0.874 19731 1037 1 . 1 1 189 189 ASN N N 189 117.100 117.100 117.150 -0.050 19731 1038 1 . 1 1 189 189 ASN HA H 189 4.426 4.426 4.414 0.012 19731 1039 1 . 1 1 189 189 ASN C C 189 177.463 177.463 177.289 0.174 19731 1040 1 . 1 1 189 189 ASN CA C 189 55.670 55.670 56.135 -0.465 19731 1041 1 . 1 1 189 189 ASN CB C 189 37.979 37.979 38.512 -0.533 19731 1042 1 . 1 1 189 189 ASN H H 189 8.275 8.275 7.940 0.335 19731 1043 1 . 1 1 190 190 ARG N N 190 117.389 117.389 119.465 -2.077 19731 1044 1 . 1 1 190 190 ARG HA H 190 4.495 4.495 4.208 0.287 19731 1045 1 . 1 1 190 190 ARG C C 190 178.428 178.428 178.698 -0.270 19731 1046 1 . 1 1 190 190 ARG CA C 190 59.036 59.036 57.884 1.152 19731 1047 1 . 1 1 190 190 ARG CB C 190 29.760 29.760 29.971 -0.211 19731 1048 1 . 1 1 190 190 ARG H H 190 7.230 7.230 7.740 -0.511 19731 1049 1 . 1 1 191 191 LEU N N 191 122.155 122.155 120.892 1.263 19731 1050 1 . 1 1 191 191 LEU HA H 191 4.140 4.140 4.159 -0.019 19731 1051 1 . 1 1 191 191 LEU C C 191 179.373 179.373 178.718 0.655 19731 1052 1 . 1 1 191 191 LEU CA C 191 58.645 58.645 57.814 0.831 19731 1053 1 . 1 1 191 191 LEU CB C 191 41.502 41.502 41.920 -0.418 19731 1054 1 . 1 1 191 191 LEU H H 191 8.624 8.624 8.583 0.041 19731 1055 1 . 1 1 192 192 HIS N N 192 113.452 113.452 114.642 -1.191 19731 1056 1 . 1 1 192 192 HIS HA H 192 5.091 5.091 4.760 0.331 19731 1057 1 . 1 1 192 192 HIS C C 192 177.163 177.163 176.139 1.024 19731 1058 1 . 1 1 192 192 HIS CA C 192 57.001 57.001 57.511 -0.510 19731 1059 1 . 1 1 192 192 HIS CB C 192 28.351 28.351 29.711 -1.360 19731 1060 1 . 1 1 192 192 HIS H H 192 9.017 9.017 7.974 1.043 19731 1061 1 . 1 1 193 193 THR N N 193 110.077 110.077 113.675 -3.598 19731 1062 1 . 1 1 193 193 THR HA H 193 4.499 4.499 4.282 0.217 19731 1063 1 . 1 1 193 193 THR C C 193 174.053 174.053 174.108 -0.055 19731 1064 1 . 1 1 193 193 THR CA C 193 62.011 62.011 63.282 -1.271 19731 1065 1 . 1 1 193 193 THR CB C 193 69.995 69.995 69.749 0.246 19731 1066 1 . 1 1 193 193 THR H H 193 7.632 7.632 7.530 0.102 19731 1067 1 . 1 1 194 194 PHE N N 194 124.702 124.702 124.878 -0.176 19731 1068 1 . 1 1 194 194 PHE HA H 194 4.449 4.449 4.492 -0.043 19731 1069 1 . 1 1 194 194 PHE C C 194 175.640 175.640 173.372 2.269 19731 1070 1 . 1 1 194 194 PHE CA C 194 59.271 59.271 57.991 1.280 19731 1071 1 . 1 1 194 194 PHE CB C 194 39.858 39.858 39.884 -0.026 19731 1072 1 . 1 1 194 194 PHE H H 194 7.722 7.722 7.831 -0.109 19731 1073 1 . 1 1 195 195 LYS N N 195 128.639 128.639 125.698 2.941 19731 1074 1 . 1 1 195 195 LYS HA H 195 4.195 4.195 4.974 -0.779 19731 1075 1 . 1 1 195 195 LYS C C 195 174.032 174.032 174.538 -0.506 19731 1076 1 . 1 1 195 195 LYS CA C 195 56.453 56.453 53.623 2.830 19731 1077 1 . 1 1 195 195 LYS CB C 195 34.927 34.927 35.282 -0.355 19731 1078 1 . 1 1 195 195 LYS H H 195 7.615 7.615 7.621 -0.006 19731 1079 1 . 1 1 196 196 ALA N N 196 129.483 129.483 126.211 3.272 19731 1080 1 . 1 1 196 196 ALA HA H 196 4.279 4.279 4.266 0.013 19731 1081 1 . 1 1 196 196 ALA C C 196 175.619 175.619 176.634 -1.015 19731 1082 1 . 1 1 196 196 ALA CA C 196 52.148 52.148 52.194 -0.046 19731 1083 1 . 1 1 196 196 ALA CB C 196 20.602 20.602 18.124 2.478 19731 1084 1 . 1 1 196 196 ALA H H 196 8.324 8.324 8.439 -0.115 19731 stop_ save_